atomes 1.1.14
atomes: an atomic scale modeling tool box
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cp2k_gth-basis.c
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1/* This file is part of the 'atomes' software
2
3'atomes' is free software: you can redistribute it and/or modify it under the terms
4of the GNU Affero General Public License as published by the Free Software Foundation,
5either version 3 of the License, or (at your option) any later version.
6
7'atomes' is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY;
8without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.
9See the GNU General Public License for more details.
10
11You should have received a copy of the GNU Affero General Public License along with 'atomes'.
12If not, see <https://www.gnu.org/licenses/>
13
14Copyright (C) 2022-2024 by CNRS and University of Strasbourg */
15
22/*
23* This file: 'cp2k_gth-basis.c'
24*
25* Contains:
26*
27
28 - CP2K GTH basis set, as delivered with CP2K v9.1
29
30 This file contains 3 tables:
31
32 gth_elem -> the list of chemical elements
33 gth_keys -> the list of keywords
34 cp2k_gth -> finally the complete GTH basis set
35
36*/
37
38#include "global.h"
39
40char * gth_elem[156] = {"H",
41"H",
42"H",
43"H",
44"H",
45"H",
46"H",
47"H",
48"H",
49"H",
50"H",
51"H",
52"He",
53"He",
54"He",
55"He",
56"He",
57"He",
58"He",
59"Li",
60"Li",
61"Li",
62"Li",
63"Li",
64"Li",
65"Be",
66"Be",
67"Be",
68"Be",
69"Be",
70"Be",
71"B",
72"B",
73"B",
74"B",
75"B",
76"B",
77"C",
78"C",
79"C",
80"C",
81"C",
82"C",
83"C",
84"C",
85"C",
86"C",
87"C",
88"N",
89"N",
90"N",
91"N",
92"N",
93"N",
94"N",
95"N",
96"N",
97"N",
98"N",
99"O",
100"O",
101"O",
102"O",
103"O",
104"O",
105"O",
106"O",
107"O",
108"O",
109"O",
110"F",
111"F",
112"F",
113"F",
114"F",
115"F",
116"F",
117"F",
118"F",
119"F",
120"F",
121"Ne",
122"Ne",
123"Ne",
124"Ne",
125"Ne",
126"Ne",
127"Na",
128"Na",
129"Na",
130"Na",
131"Na",
132"Na",
133"Mg",
134"Mg",
135"Mg",
136"Mg",
137"Mg",
138"Mg",
139"Al",
140"Al",
141"Al",
142"Al",
143"Al",
144"Al",
145"Si",
146"Si",
147"Si",
148"Si",
149"Si",
150"Si",
151"Si",
152"Si",
153"Si",
154"Si",
155"Si",
156"P",
157"P",
158"P",
159"P",
160"P",
161"P",
162"P",
163"P",
164"P",
165"P",
166"P",
167"S",
168"S",
169"S",
170"S",
171"S",
172"S",
173"S",
174"S",
175"S",
176"S",
177"S",
178"Cl",
179"Cl",
180"Cl",
181"Cl",
182"Cl",
183"Cl",
184"Cl",
185"Cl",
186"Cl",
187"Cl",
188"Cl",
189"Ar",
190"Ar",
191"Ar",
192"Ar",
193"Ar",
194"Ar",
195"W"};
196
197char * gth_keys[156] = {"SZV-GTH",
198"DZV-GTH",
199"DZVP-GTH",
200"TZVP-GTH",
201"TZV2P-GTH",
202"QZV2P-GTH",
203"QZV3P-GTH",
204"aug-DZVP-GTH",
205"aug-TZVP-GTH",
206"aug-TZV2P-GTH",
207"aug-QZV2P-GTH",
208"aug-QZV3P-GTH",
209"SZV-GTH",
210"DZV-GTH",
211"DZVP-GTH",
212"TZVP-GTH",
213"TZV2P-GTH",
214"QZV2P-GTH",
215"QZV3P-GTH",
216"SZV-GTH",
217"DZVP-GTH",
218"TZVP-GTH",
219"TZV2P-GTH",
220"QZV2P-GTH",
221"QZV3P-GTH",
222"SZV-GTH",
223"DZVP-GTH",
224"TZVP-GTH",
225"TZV2P-GTH",
226"QZV2P-GTH",
227"QZV3P-GTH",
228"SZV-GTH",
229"DZVP-GTH",
230"TZVP-GTH",
231"TZV2P-GTH",
232"QZV2P-GTH",
233"QZV3P-GTH",
234"SZV-GTH",
235"DZVP-GTH",
236"TZVP-GTH",
237"TZV2P-GTH",
238"QZV2P-GTH",
239"QZV3P-GTH",
240"aug-DZVP-GTH",
241"aug-TZVP-GTH",
242"aug-TZV2P-GTH",
243"aug-QZV2P-GTH",
244"aug-QZV3P-GTH",
245"SZV-GTH",
246"DZVP-GTH",
247"TZVP-GTH",
248"TZV2P-GTH",
249"QZV2P-GTH",
250"QZV3P-GTH",
251"aug-DZVP-GTH",
252"aug-TZVP-GTH",
253"aug-TZV2P-GTH",
254"aug-QZV2P-GTH",
255"aug-QZV3P-GTH",
256"SZV-GTH",
257"DZVP-GTH",
258"TZVP-GTH",
259"TZV2P-GTH",
260"QZV2P-GTH",
261"QZV3P-GTH",
262"aug-DZVP-GTH",
263"aug-TZVP-GTH",
264"aug-TZV2P-GTH",
265"aug-QZV2P-GTH",
266"aug-QZV3P-GTH",
267"SZV-GTH",
268"DZVP-GTH",
269"TZVP-GTH",
270"TZV2P-GTH",
271"QZV2P-GTH",
272"QZV3P-GTH",
273"aug-DZVP-GTH",
274"aug-TZVP-GTH",
275"aug-TZV2P-GTH",
276"aug-QZV2P-GTH",
277"aug-QZV3P-GTH",
278"SZV-GTH",
279"DZVP-GTH",
280"TZVP-GTH",
281"TZV2P-GTH",
282"QZV2P-GTH",
283"QZV3P-GTH",
284"SZV-GTH",
285"DZVP-GTH",
286"TZVP-GTH",
287"TZV2P-GTH",
288"QZV2P-GTH",
289"QZV3P-GTH",
290"SZV-GTH",
291"DZVP-GTH",
292"TZVP-GTH",
293"TZV2P-GTH",
294"QZV2P-GTH",
295"QZV3P-GTH",
296"SZV-GTH",
297"DZVP-GTH",
298"TZVP-GTH",
299"TZV2P-GTH",
300"QZV2P-GTH",
301"QZV3P-GTH",
302"SZV-GTH",
303"DZVP-GTH",
304"TZVP-GTH",
305"TZV2P-GTH",
306"QZV2P-GTH",
307"QZV3P-GTH",
308"aug-DZVP-GTH",
309"aug-TZVP-GTH",
310"aug-TZV2P-GTH",
311"aug-QZV2P-GTH",
312"aug-QZV3P-GTH",
313"SZV-GTH",
314"DZVP-GTH",
315"TZVP-GTH",
316"TZV2P-GTH",
317"QZV2P-GTH",
318"QZV3P-GTH",
319"aug-DZVP-GTH",
320"aug-TZVP-GTH",
321"aug-TZV2P-GTH",
322"aug-QZV2P-GTH",
323"aug-QZV3P-GTH",
324"SZV-GTH",
325"DZVP-GTH",
326"TZVP-GTH",
327"TZV2P-GTH",
328"QZV2P-GTH",
329"QZV3P-GTH",
330"aug-DZVP-GTH",
331"aug-TZVP-GTH",
332"aug-TZV2P-GTH",
333"aug-QZV2P-GTH",
334"aug-QZV3P-GTH",
335"SZV-GTH",
336"DZVP-GTH",
337"TZVP-GTH",
338"TZV2P-GTH",
339"QZV2P-GTH",
340"QZV3P-GTH",
341"aug-DZVP-GTH",
342"aug-TZVP-GTH",
343"aug-TZV2P-GTH",
344"aug-QZV2P-GTH",
345"aug-QZV3P-GTH",
346"SZV-GTH",
347"DZVP-GTH",
348"TZVP-GTH",
349"TZV2P-GTH",
350"QZV2P-GTH",
351"QZV3P-GTH",
352"DZVP-GTH"};
353
354char * cp2k_gth[156] = {"\n"
355"H SZV-GTH-q1 SZV-GTH\n"
356" 1\n"
357" 1 0 0 4 1\n"
358" 8.3744350009 -0.0283380461\n"
359" 1.8058681460 -0.1333810052\n"
360" 0.4852528328 -0.3995676063\n"
361" 0.1658236932 -0.5531027541\n"
362"#","\n"
363"H DZV-GTH-q1 DZV-GTH\n"
364" 1\n"
365" 1 0 0 4 2\n"
366" 8.3744350009 -0.0283380461 0.0000000000\n"
367" 1.8058681460 -0.1333810052 0.0000000000\n"
368" 0.4852528328 -0.3995676063 0.0000000000\n"
369" 0.1658236932 -0.5531027541 1.0000000000\n"
370"#","\n"
371"H DZVP-GTH-q1 DZVP-GTH\n"
372" 2\n"
373" 1 0 0 4 2\n"
374" 8.3744350009 -0.0283380461 0.0000000000\n"
375" 1.8058681460 -0.1333810052 0.0000000000\n"
376" 0.4852528328 -0.3995676063 0.0000000000\n"
377" 0.1658236932 -0.5531027541 1.0000000000\n"
378" 2 1 1 1 1\n"
379" 0.7270000000 1.0000000000\n"
380"#","\n"
381"H TZVP-GTH-q1 TZVP-GTH\n"
382" 2\n"
383" 1 0 0 5 3\n"
384" 10.8827241585 -0.0167058885 0.0000000000 0.0000000000\n"
385" 3.0968750876 -0.0627538300 0.0000000000 0.0000000000\n"
386" 0.9874518162 -0.1917521975 0.0000000000 0.0000000000\n"
387" 0.3450687533 -0.4173635232 1.0000000000 0.0000000000\n"
388" 0.1492693554 -0.4270508887 0.0000000000 1.0000000000\n"
389" 2 1 1 1 1\n"
390" 0.7270000000 1.0000000000\n"
391"#","\n"
392"H TZV2P-GTH-q1 TZV2P-GTH\n"
393" 2\n"
394" 1 0 0 5 3\n"
395" 10.8827241585 -0.0167058885 0.0000000000 0.0000000000\n"
396" 3.0968750876 -0.0627538300 0.0000000000 0.0000000000\n"
397" 0.9874518162 -0.1917521975 0.0000000000 0.0000000000\n"
398" 0.3450687533 -0.4173635232 1.0000000000 0.0000000000\n"
399" 0.1492693554 -0.4270508887 0.0000000000 1.0000000000\n"
400" 2 1 1 2 2\n"
401" 1.4070000000 1.0000000000 0.0000000000\n"
402" 0.3880000000 0.0000000000 1.0000000000\n"
403"#","\n"
404"H QZV2P-GTH-q1 QZV2P-GTH\n"
405" 2\n"
406" 1 0 0 6 4\n"
407" 12.5350945530 0.0114321687 0.0000000000 0.0000000000 0.0000000000\n"
408" 4.5491539489 0.0344048283 0.0000000000 0.0000000000 0.0000000000\n"
409" 1.6685193606 0.1007746979 0.0000000000 0.0000000000 0.0000000000\n"
410" 0.6523849556 0.2302169182 1.0000000000 0.0000000000 0.0000000000\n"
411" 0.2733011244 0.4067637930 0.0000000000 1.0000000000 0.0000000000\n"
412" 0.1390608890 0.3322841300 0.0000000000 0.0000000000 1.0000000000\n"
413" 2 1 1 2 2\n"
414" 1.4070000000 1.0000000000 0.0000000000\n"
415" 0.3880000000 0.0000000000 1.0000000000\n"
416"#","\n"
417"H QZV3P-GTH-q1 QZV3P-GTH\n"
418" 2\n"
419" 1 0 0 6 4\n"
420" 12.5350945530 0.0114321687 0.0000000000 0.0000000000 0.0000000000\n"
421" 4.5491539489 0.0344048283 0.0000000000 0.0000000000 0.0000000000\n"
422" 1.6685193606 0.1007746979 0.0000000000 0.0000000000 0.0000000000\n"
423" 0.6523849556 0.2302169182 1.0000000000 0.0000000000 0.0000000000\n"
424" 0.2733011244 0.4067637930 0.0000000000 1.0000000000 0.0000000000\n"
425" 0.1390608890 0.3322841300 0.0000000000 0.0000000000 1.0000000000\n"
426" 2 1 1 3 3\n"
427" 2.2920000000 1.0000000000 0.0000000000 0.0000000000\n"
428" 0.8380000000 0.0000000000 1.0000000000 0.0000000000\n"
429" 0.2920000000 0.0000000000 0.0000000000 1.0000000000\n"
430"#","\n"
431"H aug-DZVP-GTH-q1 aug-DZVP-GTH\n"
432" 4\n"
433" 1 0 0 4 2\n"
434" 8.3744350009 -0.0283380461 0.0000000000\n"
435" 1.8058681460 -0.1333810052 0.0000000000\n"
436" 0.4852528328 -0.3995676063 0.0000000000\n"
437" 0.1658236932 -0.5531027541 1.0000000000\n"
438" 2 1 1 1 1\n"
439" 0.7270000000 1.0000000000\n"
440" 3 0 0 1 1\n"
441" 0.0297400000 1.0000000000\n"
442" 3 1 1 1 1\n"
443" 0.1410000000 1.0000000000\n"
444"#","\n"
445"H aug-TZVP-GTH-q1 aug-TZVP-GTH\n"
446" 4\n"
447" 1 0 0 5 3\n"
448" 10.8827241585 -0.0167058885 0.0000000000 0.0000000000\n"
449" 3.0968750876 -0.0627538300 0.0000000000 0.0000000000\n"
450" 0.9874518162 -0.1917521975 0.0000000000 0.0000000000\n"
451" 0.3450687533 -0.4173635232 1.0000000000 0.0000000000\n"
452" 0.1492693554 -0.4270508887 0.0000000000 1.0000000000\n"
453" 2 1 1 1 1\n"
454" 0.7270000000 1.0000000000\n"
455" 4 0 0 1 1\n"
456" 0.0252600000 1.0000000000\n"
457" 3 1 1 1 1\n"
458" 0.1020000000 1.0000000000\n"
459"#","\n"
460"H aug-TZV2P-GTH-q1 aug-TZV2P-GTH\n"
461" 4\n"
462" 1 0 0 5 3\n"
463" 10.8827241585 -0.0167058885 0.0000000000 0.0000000000\n"
464" 3.0968750876 -0.0627538300 0.0000000000 0.0000000000\n"
465" 0.9874518162 -0.1917521975 0.0000000000 0.0000000000\n"
466" 0.3450687533 -0.4173635232 1.0000000000 0.0000000000\n"
467" 0.1492693554 -0.4270508887 0.0000000000 1.0000000000\n"
468" 2 1 1 2 2\n"
469" 1.4070000000 1.0000000000 0.0000000000\n"
470" 0.3880000000 0.0000000000 1.0000000000\n"
471" 4 0 0 1 1\n"
472" 0.0252600000 1.0000000000\n"
473" 4 1 1 1 1\n"
474" 0.1020000000 1.0000000000\n"
475"#","\n"
476"H aug-QZV2P-GTH-q1 aug-QZV2P-GTH\n"
477" 4\n"
478" 1 0 0 6 4\n"
479" 12.5350945530 0.0114321687 0.0000000000 0.0000000000 0.0000000000\n"
480" 4.5491539489 0.0344048283 0.0000000000 0.0000000000 0.0000000000\n"
481" 1.6685193606 0.1007746979 0.0000000000 0.0000000000 0.0000000000\n"
482" 0.6523849556 0.2302169182 1.0000000000 0.0000000000 0.0000000000\n"
483" 0.2733011244 0.4067637930 0.0000000000 1.0000000000 0.0000000000\n"
484" 0.1390608890 0.3322841300 0.0000000000 0.0000000000 1.0000000000\n"
485" 2 1 1 2 2\n"
486" 1.4070000000 1.0000000000 0.0000000000\n"
487" 0.3880000000 0.0000000000 1.0000000000\n"
488" 5 0 0 1 1\n"
489" 0.0236300000 1.0000000000\n"
490" 4 1 1 1 1\n"
491" 0.0848000000 1.0000000000\n"
492"#","\n"
493"H aug-QZV3P-GTH-q1 aug-QZV3P-GTH\n"
494" 4\n"
495" 1 0 0 6 4\n"
496" 12.5350945530 0.0114321687 0.0000000000 0.0000000000 0.0000000000\n"
497" 4.5491539489 0.0344048283 0.0000000000 0.0000000000 0.0000000000\n"
498" 1.6685193606 0.1007746979 0.0000000000 0.0000000000 0.0000000000\n"
499" 0.6523849556 0.2302169182 1.0000000000 0.0000000000 0.0000000000\n"
500" 0.2733011244 0.4067637930 0.0000000000 1.0000000000 0.0000000000\n"
501" 0.1390608890 0.3322841300 0.0000000000 0.0000000000 1.0000000000\n"
502" 2 1 1 3 3\n"
503" 2.2920000000 1.0000000000 0.0000000000 0.0000000000\n"
504" 0.8380000000 0.0000000000 1.0000000000 0.0000000000\n"
505" 0.2920000000 0.0000000000 0.0000000000 1.0000000000\n"
506" 5 0 0 1 1\n"
507" 0.0236300000 1.0000000000\n"
508" 5 1 1 1 1\n"
509" 0.0848000000 1.0000000000\n"
510"#","\n"
511"He SZV-GTH-q2 SZV-GTH\n"
512" 1\n"
513" 1 0 0 5 1\n"
514" 13.1305278312 -0.0500802904\n"
515" 4.1977275150 -0.1474339352\n"
516" 1.3647725570 -0.3245281495\n"
517" 0.4549715461 -0.4365284986\n"
518" 0.1513197845 -0.2164629317\n"
519"#","\n"
520"He DZV-GTH-q2 DZV-GTH\n"
521" 1\n"
522" 1 0 0 5 2\n"
523" 13.1305278312 -0.0500802904 0.0000000000\n"
524" 4.1977275150 -0.1474339352 0.0000000000\n"
525" 1.3647725570 -0.3245281495 0.0000000000\n"
526" 0.4549715461 -0.4365284986 0.0000000000\n"
527" 0.1513197845 -0.2164629317 1.0000000000\n"
528"#","\n"
529"He DZVP-GTH-q2 DZVP-GTH\n"
530" 2\n"
531" 1 0 0 5 2\n"
532" 13.1305278312 -0.0500802904 0.0000000000\n"
533" 4.1977275150 -0.1474339352 0.0000000000\n"
534" 1.3647725570 -0.3245281495 0.0000000000\n"
535" 0.4549715461 -0.4365284986 0.0000000000\n"
536" 0.1513197845 -0.2164629317 1.0000000000\n"
537" 2 1 1 1 1\n"
538" 1.2750000000 1.0000000000\n"
539"#","\n"
540"He TZVP-GTH-q2 TZVP-GTH\n"
541" 2\n"
542" 1 0 0 6 3\n"
543" 14.9231368362 0.0343142688 0.0000000000 0.0000000000\n"
544" 5.9479610723 0.0933152472 0.0000000000 0.0000000000\n"
545" 2.1932485067 0.2143451850 0.0000000000 0.0000000000\n"
546" 0.8304881034 0.3500759421 0.0000000000 0.0000000000\n"
547" 0.3182586587 0.3570840512 1.0000000000 0.0000000000\n"
548" 0.1197839846 0.1270021790 0.0000000000 1.0000000000\n"
549" 2 1 1 1 1\n"
550" 1.2750000000 1.0000000000\n"
551"#","\n"
552"He TZV2P-GTH-q2 TZV2P-GTH\n"
553" 2\n"
554" 1 0 0 6 3\n"
555" 14.9231368362 0.0343142688 0.0000000000 0.0000000000\n"
556" 5.9479610723 0.0933152472 0.0000000000 0.0000000000\n"
557" 2.1932485067 0.2143451850 0.0000000000 0.0000000000\n"
558" 0.8304881034 0.3500759421 0.0000000000 0.0000000000\n"
559" 0.3182586587 0.3570840512 1.0000000000 0.0000000000\n"
560" 0.1197839846 0.1270021790 0.0000000000 1.0000000000\n"
561" 2 1 1 2 2\n"
562" 3.0440000000 1.0000000000 0.0000000000\n"
563" 0.7580000000 0.0000000000 1.0000000000\n"
564"#","\n"
565"He QZV2P-GTH-q2 QZV2P-GTH\n"
566" 2\n"
567" 1 0 0 7 4\n"
568" 16.7962354569 -0.0217345796 0.0000000000 0.0000000000 0.0000000000\n"
569" 8.0784265748 -0.0637981790 0.0000000000 0.0000000000 0.0000000000\n"
570" 3.2397448253 -0.1438730374 0.0000000000 0.0000000000 0.0000000000\n"
571" 1.3463173459 -0.2567923947 0.0000000000 0.0000000000 0.0000000000\n"
572" 0.5669193043 -0.3407783682 1.0000000000 0.0000000000 0.0000000000\n"
573" 0.2404041556 -0.2752209877 0.0000000000 1.0000000000 0.0000000000\n"
574" 0.0990547078 -0.0742573863 0.0000000000 0.0000000000 1.0000000000\n"
575" 2 1 1 2 2\n"
576" 3.0440000000 1.0000000000 0.0000000000\n"
577" 0.7580000000 0.0000000000 1.0000000000\n"
578"#","\n"
579"He QZV3P-GTH-q2 QZV3P-GTH\n"
580" 2\n"
581" 1 0 0 7 4\n"
582" 16.7962354569 -0.0217345796 0.0000000000 0.0000000000 0.0000000000\n"
583" 8.0784265748 -0.0637981790 0.0000000000 0.0000000000 0.0000000000\n"
584" 3.2397448253 -0.1438730374 0.0000000000 0.0000000000 0.0000000000\n"
585" 1.3463173459 -0.2567923947 0.0000000000 0.0000000000 0.0000000000\n"
586" 0.5669193043 -0.3407783682 1.0000000000 0.0000000000 0.0000000000\n"
587" 0.2404041556 -0.2752209877 0.0000000000 1.0000000000 0.0000000000\n"
588" 0.0990547078 -0.0742573863 0.0000000000 0.0000000000 1.0000000000\n"
589" 2 1 1 3 3\n"
590" 5.9940000000 1.0000000000 0.0000000000 0.0000000000\n"
591" 1.7450000000 0.0000000000 1.0000000000 0.0000000000\n"
592" 0.5600000000 0.0000000000 0.0000000000 1.0000000000\n"
593"#","\n"
594"Li SZV-GTH-q3 SZV-GTH\n"
595" 1\n"
596" 1 0 0 5 2\n"
597" 7.2610457926 -0.2798628497 0.0501840556\n"
598" 2.1056583087 -0.4477420790 0.1084202571\n"
599" 0.6439906571 -0.3912929157 0.1448363201\n"
600" 0.0797152017 -0.0282408543 -0.4643021689\n"
601" 0.0294029590 0.0106542324 -0.6220213304\n"
602"#","\n"
603"Li DZVP-GTH-q3 DZVP-GTH\n"
604" 2\n"
605" 1 0 1 5 3 2\n"
606" 7.2610457926 -0.2798628497 0.0501840556 0.0000000000 0.0000000000 0.0000000000\n"
607" 2.1056583087 -0.4477420790 0.1084202571 0.0000000000 0.0000000000 0.0000000000\n"
608" 0.6439906571 -0.3912929157 0.1448363201 0.0000000000 1.0000000000 0.0000000000\n"
609" 0.0797152017 -0.0282408543 -0.4643021689 0.0000000000 0.0000000000 1.0000000000\n"
610" 0.0294029590 0.0106542324 -0.6220213304 1.0000000000 0.0000000000 0.0000000000\n"
611" 3 2 2 1 1\n"
612" 0.1239000000 1.0000000000\n"
613"#","\n"
614"Li TZVP-GTH-q3 TZVP-GTH\n"
615" 2\n"
616" 1 0 1 6 4 3\n"
617" 9.0670525492 -0.1411283591 0.0257097367 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000\n"
618" 4.3499909489 -0.2767569948 0.0520569091 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000\n"
619" 1.4348215636 -0.4501634495 0.1264219750 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000\n"
620" 0.4970537951 -0.2617675690 0.1024067911 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000\n"
621" 0.0729943466 -0.0116685753 -0.5635707625 1.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000\n"
622" 0.0264328979 0.0038616721 -0.5290102979 0.0000000000 1.0000000000 0.0000000000 0.0000000000 1.0000000000\n"
623" 3 2 2 1 1\n"
624" 0.1239000000 1.0000000000\n"
625"#","\n"
626"Li TZV2P-GTH-q3 TZV2P-GTH\n"
627" 2\n"
628" 1 0 1 6 4 3\n"
629" 9.0670525492 -0.1411283591 0.0257097367 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000\n"
630" 4.3499909489 -0.2767569948 0.0520569091 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000\n"
631" 1.4348215636 -0.4501634495 0.1264219750 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000\n"
632" 0.4970537951 -0.2617675690 0.1024067911 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000\n"
633" 0.0729943466 -0.0116685753 -0.5635707625 1.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000\n"
634" 0.0264328979 0.0038616721 -0.5290102979 0.0000000000 1.0000000000 0.0000000000 0.0000000000 1.0000000000\n"
635" 3 2 2 2 2\n"
636" 0.1874000000 1.0000000000 0.0000000000\n"
637" 0.0801000000 0.0000000000 1.0000000000\n"
638"#","\n"
639"Li QZV2P-GTH-q3 QZV2P-GTH\n"
640" 2\n"
641" 1 0 1 7 5 4\n"
642" 11.2399728913 0.0546031957 0.0121121394 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000\n"
643" 5.9010009273 0.2707752256 0.0442943986 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000\n"
644" 2.1128841305 0.3250518116 0.0864603159 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000\n"
645" 0.9242200694 0.3360526690 0.0982556510 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000\n"
646" 0.3843405136 0.1477938090 0.0724371635 1.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000\n"
647" 0.0745791133 0.0049656060 -0.5608077915 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000\n"
648" 0.0266127545 -0.0013302258 -0.5385875662 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000\n"
649" 3 2 2 2 2\n"
650" 0.1874000000 1.0000000000 0.0000000000\n"
651" 0.0801000000 0.0000000000 1.0000000000\n"
652"#","\n"
653"Li QZV3P-GTH-q3 QZV3P-GTH\n"
654" 2\n"
655" 1 0 1 7 5 4\n"
656" 11.2399728913 0.0546031957 0.0121121394 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000\n"
657" 5.9010009273 0.2707752256 0.0442943986 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000\n"
658" 2.1128841305 0.3250518116 0.0864603159 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000\n"
659" 0.9242200694 0.3360526690 0.0982556510 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000\n"
660" 0.3843405136 0.1477938090 0.0724371635 1.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000\n"
661" 0.0745791133 0.0049656060 -0.5608077915 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000\n"
662" 0.0266127545 -0.0013302258 -0.5385875662 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000\n"
663" 3 2 2 3 3\n"
664" 0.3440000000 1.0000000000 0.0000000000 0.0000000000\n"
665" 0.1530000000 0.0000000000 1.0000000000 0.0000000000\n"
666" 0.0680000000 0.0000000000 0.0000000000 1.0000000000\n"
667"#","\n"
668"Be SZV-GTH-q4 SZV-GTH\n"
669" 1\n"
670" 1 0 0 5 2\n"
671" 12.0759365620 -0.2957180545 0.0588372089\n"
672" 3.8545761940 -0.4334460398 0.1288856096\n"
673" 1.2504781570 -0.3784683226 0.1550415386\n"
674" 0.1871714430 -0.0264606251 -0.5160084709\n"
675" 0.0612757198 0.0081452640 -0.5935732462\n"
676"#","\n"
677"Be DZVP-GTH-q4 DZVP-GTH\n"
678" 2\n"
679" 1 0 1 5 3 2\n"
680" 12.0759365620 -0.2957180545 0.0588372089 0.0000000000 0.0000000000 0.0000000000\n"
681" 3.8545761940 -0.4334460398 0.1288856096 0.0000000000 0.0000000000 0.0000000000\n"
682" 1.2504781570 -0.3784683226 0.1550415386 0.0000000000 0.0000000000 0.0000000000\n"
683" 0.1871714430 -0.0264606251 -0.5160084709 0.0000000000 1.0000000000 0.0000000000\n"
684" 0.0612757198 0.0081452640 -0.5935732462 1.0000000000 0.0000000000 1.0000000000\n"
685" 3 2 2 1 1\n"
686" 0.2380000000 1.0000000000\n"
687"#","\n"
688"Be TZVP-GTH-q4 TZVP-GTH\n"
689" 2\n"
690" 1 0 1 6 4 3\n"
691" 16.1633017560 0.1058505482 0.0252110810 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000\n"
692" 8.2794656488 0.3142306535 0.0592234829 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000\n"
693" 2.7431462702 0.4327355582 0.1590642952 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000\n"
694" 1.0051192904 0.2646375740 0.0970211162 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000\n"
695" 0.1765074807 0.0128485143 -0.5606394206 1.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000\n"
696" 0.0580432824 -0.0034494712 -0.5479256813 0.0000000000 1.0000000000 0.0000000000 0.0000000000 1.0000000000\n"
697" 3 2 2 1 1\n"
698" 0.2380000000 1.0000000000\n"
699"#","\n"
700"Be TZV2P-GTH-q4 TZV2P-GTH\n"
701" 2\n"
702" 1 0 1 6 4 3\n"
703" 16.1633017560 0.1058505482 0.0252110810 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000\n"
704" 8.2794656488 0.3142306535 0.0592234829 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000\n"
705" 2.7431462702 0.4327355582 0.1590642952 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000\n"
706" 1.0051192904 0.2646375740 0.0970211162 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000\n"
707" 0.1765074807 0.0128485143 -0.5606394206 1.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000\n"
708" 0.0580432824 -0.0034494712 -0.5479256813 0.0000000000 1.0000000000 0.0000000000 0.0000000000 1.0000000000\n"
709" 3 2 2 2 2\n"
710" 0.3480000000 1.0000000000 0.0000000000\n"
711" 0.1803000000 0.0000000000 1.0000000000\n"
712"#","\n"
713"Be QZV2P-GTH-q4 QZV2P-GTH\n"
714" 2\n"
715" 1 0 1 7 5 4\n"
716" 16.8878782250 -0.0871781047 -0.0213560020 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000\n"
717" 8.7399964830 -0.3154557784 -0.0594803584 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000\n"
718" 2.9043390390 -0.4227762231 -0.1487687019 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000\n"
719" 1.0791842760 -0.2848246813 -0.1164217493 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000\n"
720" 0.2337917550 -0.0252413708 0.2786030195 1.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000\n"
721" 0.1037025890 0.0110215162 0.5642008017 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000\n"
722" 0.0421510390 -0.0028677576 0.2754009863 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000\n"
723" 3 2 2 2 2\n"
724" 0.3480000000 1.0000000000 0.0000000000\n"
725" 0.1803000000 0.0000000000 1.0000000000\n"
726"#","\n"
727"Be QZV3P-GTH-q4 QZV3P-GTH\n"
728" 2\n"
729" 1 0 1 7 5 4\n"
730" 16.8878782250 -0.0871781047 -0.0213560020 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000\n"
731" 8.7399964830 -0.3154557784 -0.0594803584 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000\n"
732" 2.9043390390 -0.4227762231 -0.1487687019 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000\n"
733" 1.0791842760 -0.2848246813 -0.1164217493 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000\n"
734" 0.2337917550 -0.0252413708 0.2786030195 1.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000\n"
735" 0.1037025890 0.0110215162 0.5642008017 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000\n"
736" 0.0421510390 -0.0028677576 0.2754009863 0.0000000000 0.0000000000 1.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000\n"
737" 3 2 2 3 3\n"
738" 1.0720000000 1.0000000000 0.0000000000 0.0000000000\n"
739" 0.4410000000 0.0000000000 1.0000000000 0.0000000000\n"
740" 0.1811000000 0.0000000000 0.0000000000 1.0000000000\n"
741"#","\n"
742"B SZV-GTH-q3 SZV-GTH\n"
743" 1\n"
744" 2 0 1 4 1 1\n"
745" 2.8854084023 0.1420731829 -0.0759815770\n"
746" 0.8566849689 -0.0083257749 -0.2508281584\n"
747" 0.2712991753 -0.6707104603 -0.4610296144\n"
748" 0.0826101984 -0.4241277148 -0.4419922734\n"
749"#","\n"
750"B DZVP-GTH-q3 DZVP-GTH\n"
751" 2\n"
752" 2 0 1 4 2 2\n"
753" 2.8854084023 0.1420731829 0.0000000000 -0.0759815770 0.0000000000\n"
754" 0.8566849689 -0.0083257749 0.0000000000 -0.2508281584 0.0000000000\n"
755" 0.2712991753 -0.6707104603 0.0000000000 -0.4610296144 0.0000000000\n"
756" 0.0826101984 -0.4241277148 1.0000000000 -0.4419922734 1.0000000000\n"
757" 3 2 2 1 1\n"
758" 0.3430000000 1.0000000000\n"
759"#","\n"
760"B TZVP-GTH-q3 TZVP-GTH\n"
761" 2\n"
762" 2 0 1 5 3 3\n"
763" 3.5725567849 0.0919963366 0.0000000000 0.0000000000 -0.0431808210 0.0000000000 0.0000000000\n"
764" 1.3258097706 0.1075235422 0.0000000000 0.0000000000 -0.1511855730 0.0000000000 0.0000000000\n"
765" 0.4583887751 -0.3415470752 0.0000000000 0.0000000000 -0.3429313866 0.0000000000 0.0000000000\n"
766" 0.1620866416 -0.6439245174 1.0000000000 0.0000000000 -0.4414563660 1.0000000000 0.0000000000\n"
767" 0.0559199264 -0.1753147308 0.0000000000 1.0000000000 -0.2681154092 0.0000000000 1.0000000000\n"
768" 3 2 2 1 1\n"
769" 0.3430000000 1.0000000000\n"
770"#","\n"
771"B TZV2P-GTH-q3 TZV2P-GTH\n"
772" 2\n"
773" 2 0 1 5 3 3\n"
774" 3.5725567849 0.0919963366 0.0000000000 0.0000000000 -0.0431808210 0.0000000000 0.0000000000\n"
775" 1.3258097706 0.1075235422 0.0000000000 0.0000000000 -0.1511855730 0.0000000000 0.0000000000\n"
776" 0.4583887751 -0.3415470752 0.0000000000 0.0000000000 -0.3429313866 0.0000000000 0.0000000000\n"
777" 0.1620866416 -0.6439245174 1.0000000000 0.0000000000 -0.4414563660 1.0000000000 0.0000000000\n"
778" 0.0559199264 -0.1753147308 0.0000000000 1.0000000000 -0.2681154092 0.0000000000 1.0000000000\n"
779" 3 2 2 2 2\n"
780" 0.6610000000 1.0000000000 0.0000000000\n"
781" 0.1990000000 0.0000000000 1.0000000000\n"
782"#","\n"
783"B QZV2P-GTH-q3 QZV2P-GTH\n"
784" 2\n"
785" 2 0 1 6 4 4\n"
786" 4.1102306804 -0.0620335875 0.0000000000 0.0000000000 0.0000000000 0.0278217612 0.0000000000 0.0000000000 0.0000000000\n"
787" 1.7172984348 -0.1274529700 0.0000000000 0.0000000000 0.0000000000 0.1085525628 0.0000000000 0.0000000000 0.0000000000\n"
788" 0.6589800479 0.1200448703 0.0000000000 0.0000000000 0.0000000000 0.2367567166 0.0000000000 0.0000000000 0.0000000000\n"
789" 0.2700358860 0.5129734657 1.0000000000 0.0000000000 0.0000000000 0.3599759140 1.0000000000 0.0000000000 0.0000000000\n"
790" 0.1081818865 0.4555842541 0.0000000000 1.0000000000 0.0000000000 0.3683676413 0.0000000000 1.0000000000 0.0000000000\n"
791" 0.0406426579 0.0612204758 0.0000000000 0.0000000000 1.0000000000 0.1513382480 0.0000000000 0.0000000000 1.0000000000\n"
792" 3 2 2 2 2\n"
793" 0.6610000000 1.0000000000 0.0000000000\n"
794" 0.1990000000 0.0000000000 1.0000000000\n"
795"#","\n"
796"B QZV3P-GTH-q3 QZV3P-GTH\n"
797" 2\n"
798" 2 0 1 6 4 4\n"
799" 4.1102306804 -0.0620335875 0.0000000000 0.0000000000 0.0000000000 0.0278217612 0.0000000000 0.0000000000 0.0000000000\n"
800" 1.7172984348 -0.1274529700 0.0000000000 0.0000000000 0.0000000000 0.1085525628 0.0000000000 0.0000000000 0.0000000000\n"
801" 0.6589800479 0.1200448703 0.0000000000 0.0000000000 0.0000000000 0.2367567166 0.0000000000 0.0000000000 0.0000000000\n"
802" 0.2700358860 0.5129734657 1.0000000000 0.0000000000 0.0000000000 0.3599759140 1.0000000000 0.0000000000 0.0000000000\n"
803" 0.1081818865 0.4555842541 0.0000000000 1.0000000000 0.0000000000 0.3683676413 0.0000000000 1.0000000000 0.0000000000\n"
804" 0.0406426579 0.0612204758 0.0000000000 0.0000000000 1.0000000000 0.1513382480 0.0000000000 0.0000000000 1.0000000000\n"
805" 3 2 2 3 3\n"
806" 1.1100000000 1.0000000000 0.0000000000 0.0000000000\n"
807" 0.4020000000 0.0000000000 1.0000000000 0.0000000000\n"
808" 0.1450000000 0.0000000000 0.0000000000 1.0000000000\n"
809"#","\n"
810"C SZV-GTH-q4 SZV-GTH\n"
811" 1\n"
812" 2 0 1 4 1 1\n"
813" 4.3362376436 0.1490797872 -0.0878123619\n"
814" 1.2881838513 -0.0292640031 -0.2775560300\n"
815" 0.4037767149 -0.6882040510 -0.4712295093\n"
816" 0.1187877657 -0.3964426906 -0.4058039291\n"
817"#","\n"
818"C DZVP-GTH-q4 DZVP-GTH\n"
819" 2\n"
820" 2 0 1 4 2 2\n"
821" 4.3362376436 0.1490797872 0.0000000000 -0.0878123619 0.0000000000\n"
822" 1.2881838513 -0.0292640031 0.0000000000 -0.2775560300 0.0000000000\n"
823" 0.4037767149 -0.6882040510 0.0000000000 -0.4712295093 0.0000000000\n"
824" 0.1187877657 -0.3964426906 1.0000000000 -0.4058039291 1.0000000000\n"
825" 3 2 2 1 1\n"
826" 0.5500000000 1.0000000000\n"
827"#","\n"
828"C TZVP-GTH-q4 TZVP-GTH\n"
829" 2\n"
830" 2 0 1 5 3 3\n"
831" 5.3685662937 0.0974901974 0.0000000000 0.0000000000 -0.0510969367 0.0000000000 0.0000000000\n"
832" 1.9830691554 0.1041996677 0.0000000000 0.0000000000 -0.1693035193 0.0000000000 0.0000000000\n"
833" 0.6978346167 -0.3645093878 0.0000000000 0.0000000000 -0.3579933930 0.0000000000 0.0000000000\n"
834" 0.2430968816 -0.6336931464 1.0000000000 0.0000000000 -0.4327616531 1.0000000000 0.0000000000\n"
835" 0.0812865018 -0.1676727564 0.0000000000 1.0000000000 -0.2457672757 0.0000000000 1.0000000000\n"
836" 3 2 2 1 1\n"
837" 0.5500000000 1.0000000000\n"
838"#","\n"
839"C TZV2P-GTH-q4 TZV2P-GTH\n"
840" 2\n"
841" 2 0 1 5 3 3\n"
842" 5.3685662937 0.0974901974 0.0000000000 0.0000000000 -0.0510969367 0.0000000000 0.0000000000\n"
843" 1.9830691554 0.1041996677 0.0000000000 0.0000000000 -0.1693035193 0.0000000000 0.0000000000\n"
844" 0.6978346167 -0.3645093878 0.0000000000 0.0000000000 -0.3579933930 0.0000000000 0.0000000000\n"
845" 0.2430968816 -0.6336931464 1.0000000000 0.0000000000 -0.4327616531 1.0000000000 0.0000000000\n"
846" 0.0812865018 -0.1676727564 0.0000000000 1.0000000000 -0.2457672757 0.0000000000 1.0000000000\n"
847" 3 2 2 2 2\n"
848" 1.0970000000 1.0000000000 0.0000000000\n"
849" 0.3180000000 0.0000000000 1.0000000000\n"
850"#","\n"
851"C QZV2P-GTH-q4 QZV2P-GTH\n"
852" 2\n"
853" 2 0 1 6 4 4\n"
854" 6.2117903778 -0.0646967401 0.0000000000 0.0000000000 0.0000000000 0.0325569458 0.0000000000 0.0000000000 0.0000000000\n"
855" 2.6063423906 -0.1297753357 0.0000000000 0.0000000000 0.0000000000 0.1202876489 0.0000000000 0.0000000000 0.0000000000\n"
856" 1.0110258071 0.1365330322 0.0000000000 0.0000000000 0.0000000000 0.2556810166 0.0000000000 0.0000000000 0.0000000000\n"
857" 0.4099767831 0.5183875877 1.0000000000 0.0000000000 0.0000000000 0.3643736556 1.0000000000 0.0000000000 0.0000000000\n"
858" 0.1615409293 0.4426674841 0.0000000000 1.0000000000 0.0000000000 0.3489621232 0.0000000000 1.0000000000 0.0000000000\n"
859" 0.0597349919 0.0598757918 0.0000000000 0.0000000000 1.0000000000 0.1399973180 0.0000000000 0.0000000000 1.0000000000\n"
860" 3 2 2 2 2\n"
861" 1.0970000000 1.0000000000 0.0000000000\n"
862" 0.3180000000 0.0000000000 1.0000000000\n"
863"#","\n"
864"C QZV3P-GTH-q4 QZV3P-GTH\n"
865" 2\n"
866" 2 0 1 6 4 4\n"
867" 6.2117903778 -0.0646967401 0.0000000000 0.0000000000 0.0000000000 0.0325569458 0.0000000000 0.0000000000 0.0000000000\n"
868" 2.6063423906 -0.1297753357 0.0000000000 0.0000000000 0.0000000000 0.1202876489 0.0000000000 0.0000000000 0.0000000000\n"
869" 1.0110258071 0.1365330322 0.0000000000 0.0000000000 0.0000000000 0.2556810166 0.0000000000 0.0000000000 0.0000000000\n"
870" 0.4099767831 0.5183875877 1.0000000000 0.0000000000 0.0000000000 0.3643736556 1.0000000000 0.0000000000 0.0000000000\n"
871" 0.1615409293 0.4426674841 0.0000000000 1.0000000000 0.0000000000 0.3489621232 0.0000000000 1.0000000000 0.0000000000\n"
872" 0.0597349919 0.0598757918 0.0000000000 0.0000000000 1.0000000000 0.1399973180 0.0000000000 0.0000000000 1.0000000000\n"
873" 3 2 2 3 3\n"
874" 1.8480000000 1.0000000000 0.0000000000 0.0000000000\n"
875" 0.6490000000 0.0000000000 1.0000000000 0.0000000000\n"
876" 0.2280000000 0.0000000000 0.0000000000 1.0000000000\n"
877"#","\n"
878"C aug-DZVP-GTH-q4 aug-DZVP-GTH\n"
879" 4\n"
880" 2 0 1 4 2 2\n"
881" 4.3362376436 0.1490797872 0.0000000000 -0.0878123619 0.0000000000\n"
882" 1.2881838513 -0.0292640031 0.0000000000 -0.2775560300 0.0000000000\n"
883" 0.4037767149 -0.6882040510 0.0000000000 -0.4712295093 0.0000000000\n"
884" 0.1187877657 -0.3964426906 1.0000000000 -0.4058039291 1.0000000000\n"
885" 3 2 2 1 1\n"
886" 0.5500000000 1.0000000000\n"
887" 2 0 0 1 1\n"
888" 0.04690000 1.0000000000\n"
889" 2 1 1 1 1\n"
890" 0.04041000 1.0000000000\n"
891"#","\n"
892"C aug-TZVP-GTH-q4 aug-TZVP-GTH\n"
893" 4\n"
894" 2 0 1 5 3 3\n"
895" 5.3685662937 0.0974901974 0.0000000000 0.0000000000 -0.0510969367 0.0000000000 0.0000000000\n"
896" 1.9830691554 0.1041996677 0.0000000000 0.0000000000 -0.1693035193 0.0000000000 0.0000000000\n"
897" 0.6978346167 -0.3645093878 0.0000000000 0.0000000000 -0.3579933930 0.0000000000 0.0000000000\n"
898" 0.2430968816 -0.6336931464 1.0000000000 0.0000000000 -0.4327616531 1.0000000000 0.0000000000\n"
899" 0.0812865018 -0.1676727564 0.0000000000 1.0000000000 -0.2457672757 0.0000000000 1.0000000000\n"
900" 3 2 2 1 1\n"
901" 0.5500000000 1.0000000000\n"
902" 2 0 0 1 1\n"
903" 0.04402000 1.0000000000\n"
904" 2 1 1 1 1\n"
905" 0.03569000 1.0000000000\n"
906"#","\n"
907"C aug-TZV2P-GTH-q4 aug-TZV2P-GTH\n"
908" 4\n"
909" 2 0 1 5 3 3\n"
910" 5.3685662937 0.0974901974 0.0000000000 0.0000000000 -0.0510969367 0.0000000000 0.0000000000\n"
911" 1.9830691554 0.1041996677 0.0000000000 0.0000000000 -0.1693035193 0.0000000000 0.0000000000\n"
912" 0.6978346167 -0.3645093878 0.0000000000 0.0000000000 -0.3579933930 0.0000000000 0.0000000000\n"
913" 0.2430968816 -0.6336931464 1.0000000000 0.0000000000 -0.4327616531 1.0000000000 0.0000000000\n"
914" 0.0812865018 -0.1676727564 0.0000000000 1.0000000000 -0.2457672757 0.0000000000 1.0000000000\n"
915" 3 2 2 2 2\n"
916" 1.0970000000 1.0000000000 0.0000000000\n"
917" 0.3180000000 0.0000000000 1.0000000000\n"
918" 2 0 0 1 1\n"
919" 0.04402000 1.0000000000\n"
920" 2 1 1 1 1\n"
921" 0.03569000 1.0000000000\n"
922"#","\n"
923"C aug-QZV2P-GTH-q4 aug-QZV2P-GTH\n"
924" 4\n"
925" 2 0 1 6 4 4\n"
926" 6.2117903778 -0.0646967401 0.0000000000 0.0000000000 0.0000000000 0.0325569458 0.0000000000 0.0000000000 0.0000000000\n"
927" 2.6063423906 -0.1297753357 0.0000000000 0.0000000000 0.0000000000 0.1202876489 0.0000000000 0.0000000000 0.0000000000\n"
928" 1.0110258071 0.1365330322 0.0000000000 0.0000000000 0.0000000000 0.2556810166 0.0000000000 0.0000000000 0.0000000000\n"
929" 0.4099767831 0.5183875877 1.0000000000 0.0000000000 0.0000000000 0.3643736556 1.0000000000 0.0000000000 0.0000000000\n"
930" 0.1615409293 0.4426674841 0.0000000000 1.0000000000 0.0000000000 0.3489621232 0.0000000000 1.0000000000 0.0000000000\n"
931" 0.0597349919 0.0598757918 0.0000000000 0.0000000000 1.0000000000 0.1399973180 0.0000000000 0.0000000000 1.0000000000\n"
932" 3 2 2 2 2\n"
933" 1.0970000000 1.0000000000 0.0000000000\n"
934" 0.3180000000 0.0000000000 1.0000000000\n"
935" 2 0 0 1 1\n"
936" 0.04145000 1.0000000000\n"
937" 2 1 1 1 1\n"
938" 0.03218000 1.0000000000\n"
939"#","\n"
940"C aug-QZV3P-GTH-q4 aug-QZV3P-GTH\n"
941" 4\n"
942" 2 0 1 6 4 4\n"
943" 6.2117903778 -0.0646967401 0.0000000000 0.0000000000 0.0000000000 0.0325569458 0.0000000000 0.0000000000 0.0000000000\n"
944" 2.6063423906 -0.1297753357 0.0000000000 0.0000000000 0.0000000000 0.1202876489 0.0000000000 0.0000000000 0.0000000000\n"
945" 1.0110258071 0.1365330322 0.0000000000 0.0000000000 0.0000000000 0.2556810166 0.0000000000 0.0000000000 0.0000000000\n"
946" 0.4099767831 0.5183875877 1.0000000000 0.0000000000 0.0000000000 0.3643736556 1.0000000000 0.0000000000 0.0000000000\n"
947" 0.1615409293 0.4426674841 0.0000000000 1.0000000000 0.0000000000 0.3489621232 0.0000000000 1.0000000000 0.0000000000\n"
948" 0.0597349919 0.0598757918 0.0000000000 0.0000000000 1.0000000000 0.1399973180 0.0000000000 0.0000000000 1.0000000000\n"
949" 3 2 2 3 3\n"
950" 1.8480000000 1.0000000000 0.0000000000 0.0000000000\n"
951" 0.6490000000 0.0000000000 1.0000000000 0.0000000000\n"
952" 0.2280000000 0.0000000000 0.0000000000 1.0000000000\n"
953" 2 0 0 1 1\n"
954" 0.04145000 1.0000000000\n"
955" 2 1 1 1 1\n"
956" 0.03218000 1.0000000000\n"
957"#","\n"
958"N SZV-GTH-q5 SZV-GTH\n"
959" 1\n"
960" 2 0 1 4 1 1\n"
961" 6.1526903413 0.1506300537 -0.0950603476\n"
962" 1.8236332280 -0.0360100734 -0.2918864295\n"
963" 0.5676628870 -0.6942023212 -0.4739050050\n"
964" 0.1628222852 -0.3878929987 -0.3893418670\n"
965"#","\n"
966"N DZVP-GTH-q5 DZVP-GTH\n"
967" 2\n"
968" 2 0 1 4 2 2\n"
969" 6.1526903413 0.1506300537 0.0000000000 -0.0950603476 0.0000000000\n"
970" 1.8236332280 -0.0360100734 0.0000000000 -0.2918864295 0.0000000000\n"
971" 0.5676628870 -0.6942023212 0.0000000000 -0.4739050050 0.0000000000\n"
972" 0.1628222852 -0.3878929987 1.0000000000 -0.3893418670 1.0000000000\n"
973" 3 2 2 1 1\n"
974" 0.8170000000 1.0000000000\n"
975"#","\n"
976"N TZVP-GTH-q5 TZVP-GTH\n"
977" 2\n"
978" 2 0 1 5 3 3\n"
979" 7.6227447102 0.0983924689 0.0000000000 0.0000000000 -0.0561654555 0.0000000000 0.0000000000\n"
980" 2.7970605447 0.1045217098 0.0000000000 0.0000000000 -0.1798165209 0.0000000000 0.0000000000\n"
981" 0.9909765447 -0.3742661352 0.0000000000 0.0000000000 -0.3653986185 0.0000000000 0.0000000000\n"
982" 0.3417314862 -0.6278094034 1.0000000000 0.0000000000 -0.4259126207 1.0000000000 0.0000000000\n"
983" 0.1116822743 -0.1675236192 0.0000000000 1.0000000000 -0.2366040346 0.0000000000 1.0000000000\n"
984" 3 2 2 1 1\n"
985" 0.8170000000 1.0000000000\n"
986"#","\n"
987"N TZV2P-GTH-q5 TZV2P-GTH\n"
988" 2\n"
989" 2 0 1 5 3 3\n"
990" 7.6227447102 0.0983924689 0.0000000000 0.0000000000 -0.0561654555 0.0000000000 0.0000000000\n"
991" 2.7970605447 0.1045217098 0.0000000000 0.0000000000 -0.1798165209 0.0000000000 0.0000000000\n"
992" 0.9909765447 -0.3742661352 0.0000000000 0.0000000000 -0.3653986185 0.0000000000 0.0000000000\n"
993" 0.3417314862 -0.6278094034 1.0000000000 0.0000000000 -0.4259126207 1.0000000000 0.0000000000\n"
994" 0.1116822743 -0.1675236192 0.0000000000 1.0000000000 -0.2366040346 0.0000000000 1.0000000000\n"
995" 3 2 2 2 2\n"
996" 1.6540000000 1.0000000000 0.0000000000\n"
997" 0.4690000000 0.0000000000 1.0000000000\n"
998"#","\n"
999"N QZV2P-GTH-q5 QZV2P-GTH\n"
1000" 2\n"
1001" 2 0 1 6 4 4\n"
1002" 8.8030997240 -0.0653598725 0.0000000000 0.0000000000 0.0000000000 0.0363703004 0.0000000000 0.0000000000 0.0000000000\n"
1003" 3.6785202400 -0.1318019698 0.0000000000 0.0000000000 0.0000000000 0.1277243136 0.0000000000 0.0000000000 0.0000000000\n"
1004" 1.4352947631 0.1465239013 0.0000000000 0.0000000000 0.0000000000 0.2667499496 0.0000000000 0.0000000000 0.0000000000\n"
1005" 0.5774326402 0.5201300002 1.0000000000 0.0000000000 0.0000000000 0.3658846849 1.0000000000 0.0000000000 0.0000000000\n"
1006" 0.2247320708 0.4360365020 0.0000000000 1.0000000000 0.0000000000 0.3370061673 0.0000000000 1.0000000000 0.0000000000\n"
1007" 0.0818920852 0.0597929754 0.0000000000 0.0000000000 1.0000000000 0.1349212947 0.0000000000 0.0000000000 1.0000000000\n"
1008" 3 2 2 2 2\n"
1009" 1.6540000000 1.0000000000 0.0000000000\n"
1010" 0.4690000000 0.0000000000 1.0000000000\n"
1011"#","\n"
1012"N QZV3P-GTH-q5 QZV3P-GTH\n"
1013" 2\n"
1014" 2 0 1 6 4 4\n"
1015" 8.8030997240 -0.0653598725 0.0000000000 0.0000000000 0.0000000000 0.0363703004 0.0000000000 0.0000000000 0.0000000000\n"
1016" 3.6785202400 -0.1318019698 0.0000000000 0.0000000000 0.0000000000 0.1277243136 0.0000000000 0.0000000000 0.0000000000\n"
1017" 1.4352947631 0.1465239013 0.0000000000 0.0000000000 0.0000000000 0.2667499496 0.0000000000 0.0000000000 0.0000000000\n"
1018" 0.5774326402 0.5201300002 1.0000000000 0.0000000000 0.0000000000 0.3658846849 1.0000000000 0.0000000000 0.0000000000\n"
1019" 0.2247320708 0.4360365020 0.0000000000 1.0000000000 0.0000000000 0.3370061673 0.0000000000 1.0000000000 0.0000000000\n"
1020" 0.0818920852 0.0597929754 0.0000000000 0.0000000000 1.0000000000 0.1349212947 0.0000000000 0.0000000000 1.0000000000\n"
1021" 3 2 2 3 3\n"
1022" 2.8370000000 1.0000000000 0.0000000000 0.0000000000\n"
1023" 0.9680000000 0.0000000000 1.0000000000 0.0000000000\n"
1024" 0.3350000000 0.0000000000 0.0000000000 1.0000000000\n"
1025"#","\n"
1026"N aug-DZVP-GTH-q5 aug-DZVP-GTH\n"
1027" 4\n"
1028" 2 0 1 4 2 2\n"
1029" 6.1526903413 0.1506300537 0.0000000000 -0.0950603476 0.0000000000\n"
1030" 1.8236332280 -0.0360100734 0.0000000000 -0.2918864295 0.0000000000\n"
1031" 0.5676628870 -0.6942023212 0.0000000000 -0.4739050050 0.0000000000\n"
1032" 0.1628222852 -0.3878929987 1.0000000000 -0.3893418670 1.0000000000\n"
1033" 3 2 2 1 1\n"
1034" 0.8170000000 1.0000000000\n"
1035" 2 0 0 1 1\n"
1036" 0.06124000 1.0000000000\n"
1037" 2 1 1 1 1\n"
1038" 0.05611000 1.0000000000\n"
1039"#","\n"
1040"N aug-TZVP-GTH-q5 aug-TZVP-GTH\n"
1041" 4\n"
1042" 2 0 1 5 3 3\n"
1043" 7.6227447102 0.0983924689 0.0000000000 0.0000000000 -0.0561654555 0.0000000000 0.0000000000\n"
1044" 2.7970605447 0.1045217098 0.0000000000 0.0000000000 -0.1798165209 0.0000000000 0.0000000000\n"
1045" 0.9909765447 -0.3742661352 0.0000000000 0.0000000000 -0.3653986185 0.0000000000 0.0000000000\n"
1046" 0.3417314862 -0.6278094034 1.0000000000 0.0000000000 -0.4259126207 1.0000000000 0.0000000000\n"
1047" 0.1116822743 -0.1675236192 0.0000000000 1.0000000000 -0.2366040346 0.0000000000 1.0000000000\n"
1048" 3 2 2 1 1\n"
1049" 0.8170000000 1.0000000000\n"
1050" 2 0 0 1 1\n"
1051" 0.05760000 1.0000000000\n"
1052" 2 1 1 1 1\n"
1053" 0.04910000 1.0000000000\n"
1054"#","\n"
1055"N aug-TZV2P-GTH-q5 aug-TZV2P-GTH\n"
1056" 4\n"
1057" 2 0 1 5 3 3\n"
1058" 7.6227447102 0.0983924689 0.0000000000 0.0000000000 -0.0561654555 0.0000000000 0.0000000000\n"
1059" 2.7970605447 0.1045217098 0.0000000000 0.0000000000 -0.1798165209 0.0000000000 0.0000000000\n"
1060" 0.9909765447 -0.3742661352 0.0000000000 0.0000000000 -0.3653986185 0.0000000000 0.0000000000\n"
1061" 0.3417314862 -0.6278094034 1.0000000000 0.0000000000 -0.4259126207 1.0000000000 0.0000000000\n"
1062" 0.1116822743 -0.1675236192 0.0000000000 1.0000000000 -0.2366040346 0.0000000000 1.0000000000\n"
1063" 3 2 2 2 2\n"
1064" 1.6540000000 1.0000000000 0.0000000000\n"
1065" 0.4690000000 0.0000000000 1.0000000000\n"
1066" 2 0 0 1 1\n"
1067" 0.05760000 1.0000000000\n"
1068" 2 1 1 1 1\n"
1069" 0.04910000 1.0000000000\n"
1070"#","\n"
1071"N aug-QZV2P-GTH-q5 aug-QZV2P-GTH\n"
1072" 4\n"
1073" 2 0 1 6 4 4\n"
1074" 8.8030997240 -0.0653598725 0.0000000000 0.0000000000 0.0000000000 0.0363703004 0.0000000000 0.0000000000 0.0000000000\n"
1075" 3.6785202400 -0.1318019698 0.0000000000 0.0000000000 0.0000000000 0.1277243136 0.0000000000 0.0000000000 0.0000000000\n"
1076" 1.4352947631 0.1465239013 0.0000000000 0.0000000000 0.0000000000 0.2667499496 0.0000000000 0.0000000000 0.0000000000\n"
1077" 0.5774326402 0.5201300002 1.0000000000 0.0000000000 0.0000000000 0.3658846849 1.0000000000 0.0000000000 0.0000000000\n"
1078" 0.2247320708 0.4360365020 0.0000000000 1.0000000000 0.0000000000 0.3370061673 0.0000000000 1.0000000000 0.0000000000\n"
1079" 0.0818920852 0.0597929754 0.0000000000 0.0000000000 1.0000000000 0.1349212947 0.0000000000 0.0000000000 1.0000000000\n"
1080" 3 2 2 2 2\n"
1081" 1.6540000000 1.0000000000 0.0000000000\n"
1082" 0.4690000000 0.0000000000 1.0000000000\n"
1083" 2 0 0 1 1\n"
1084" 0.05464000 1.0000000000\n"
1085" 2 1 1 1 1\n"
1086" 0.04402000 1.0000000000\n"
1087"#","\n"
1088"N aug-QZV3P-GTH-q5 aug-QZV3P-GTH\n"
1089" 4\n"
1090" 2 0 1 6 4 4\n"
1091" 8.8030997240 -0.0653598725 0.0000000000 0.0000000000 0.0000000000 0.0363703004 0.0000000000 0.0000000000 0.0000000000\n"
1092" 3.6785202400 -0.1318019698 0.0000000000 0.0000000000 0.0000000000 0.1277243136 0.0000000000 0.0000000000 0.0000000000\n"
1093" 1.4352947631 0.1465239013 0.0000000000 0.0000000000 0.0000000000 0.2667499496 0.0000000000 0.0000000000 0.0000000000\n"
1094" 0.5774326402 0.5201300002 1.0000000000 0.0000000000 0.0000000000 0.3658846849 1.0000000000 0.0000000000 0.0000000000\n"
1095" 0.2247320708 0.4360365020 0.0000000000 1.0000000000 0.0000000000 0.3370061673 0.0000000000 1.0000000000 0.0000000000\n"
1096" 0.0818920852 0.0597929754 0.0000000000 0.0000000000 1.0000000000 0.1349212947 0.0000000000 0.0000000000 1.0000000000\n"
1097" 3 2 2 3 3\n"
1098" 2.8370000000 1.0000000000 0.0000000000 0.0000000000\n"
1099" 0.9680000000 0.0000000000 1.0000000000 0.0000000000\n"
1100" 0.3350000000 0.0000000000 0.0000000000 1.0000000000\n"
1101" 2 0 0 1 1\n"
1102" 0.05464000 1.0000000000\n"
1103" 2 1 1 1 1\n"
1104" 0.04402000 1.0000000000\n"
1105"#","\n"
1106"O SZV-GTH-q6 SZV-GTH\n"
1107" 1\n"
1108" 2 0 1 4 1 1\n"
1109" 8.3043855492 0.1510165999 -0.0995679273\n"
1110" 2.4579484191 -0.0393195364 -0.3011422449\n"
1111" 0.7597373434 -0.6971724029 -0.4750857083\n"
1112" 0.2136388632 -0.3841133622 -0.3798777957\n"
1113"#","\n"
1114"O DZVP-GTH-q6 DZVP-GTH\n"
1115" 2\n"
1116" 2 0 1 4 2 2\n"
1117" 8.3043855492 0.1510165999 0.0000000000 -0.0995679273 0.0000000000\n"
1118" 2.4579484191 -0.0393195364 0.0000000000 -0.3011422449 0.0000000000\n"
1119" 0.7597373434 -0.6971724029 0.0000000000 -0.4750857083 0.0000000000\n"
1120" 0.2136388632 -0.3841133622 1.0000000000 -0.3798777957 1.0000000000\n"
1121" 3 2 2 1 1\n"
1122" 1.1850000000 1.0000000000\n"
1123"#","\n"
1124"O TZVP-GTH-q6 TZVP-GTH\n"
1125" 2\n"
1126" 2 0 1 5 3 3\n"
1127" 10.2674419938 0.0989598460 0.0000000000 0.0000000000 -0.0595856940 0.0000000000 0.0000000000\n"
1128" 3.7480495696 0.1041178339 0.0000000000 0.0000000000 -0.1875649045 0.0000000000 0.0000000000\n"
1129" 1.3308337704 -0.3808255700 0.0000000000 0.0000000000 -0.3700707718 0.0000000000 0.0000000000\n"
1130" 0.4556802254 -0.6232449802 1.0000000000 0.0000000000 -0.4204922615 1.0000000000 0.0000000000\n"
1131" 0.1462920596 -0.1677863491 0.0000000000 1.0000000000 -0.2313901687 0.0000000000 1.0000000000\n"
1132" 3 2 2 1 1\n"
1133" 1.1850000000 1.0000000000\n"
1134"#","\n"
1135"O TZV2P-GTH-q6 TZV2P-GTH\n"
1136" 2\n"
1137" 2 0 1 5 3 3\n"
1138" 10.2674419938 0.0989598460 0.0000000000 0.0000000000 -0.0595856940 0.0000000000 0.0000000000\n"
1139" 3.7480495696 0.1041178339 0.0000000000 0.0000000000 -0.1875649045 0.0000000000 0.0000000000\n"
1140" 1.3308337704 -0.3808255700 0.0000000000 0.0000000000 -0.3700707718 0.0000000000 0.0000000000\n"
1141" 0.4556802254 -0.6232449802 1.0000000000 0.0000000000 -0.4204922615 1.0000000000 0.0000000000\n"
1142" 0.1462920596 -0.1677863491 0.0000000000 1.0000000000 -0.2313901687 0.0000000000 1.0000000000\n"
1143" 3 2 2 2 2\n"
1144" 2.3140000000 1.0000000000 0.0000000000\n"
1145" 0.6450000000 0.0000000000 1.0000000000\n"
1146"#","\n"
1147"O QZV2P-GTH-q6 QZV2P-GTH\n"
1148" 2\n"
1149" 2 0 1 6 4 4\n"
1150" 11.8298677444 -0.0658681959 0.0000000000 0.0000000000 0.0000000000 0.0389990698 0.0000000000 0.0000000000 0.0000000000\n"
1151" 4.9326307395 -0.1327117781 0.0000000000 0.0000000000 0.0000000000 0.1329824319 0.0000000000 0.0000000000 0.0000000000\n"
1152" 1.9312997298 0.1529660213 0.0000000000 0.0000000000 0.0000000000 0.2737974007 0.0000000000 0.0000000000 0.0000000000\n"
1153" 0.7724003899 0.5206439978 1.0000000000 0.0000000000 0.0000000000 0.3663338041 1.0000000000 0.0000000000 0.0000000000\n"
1154" 0.2976334392 0.4322622254 0.0000000000 1.0000000000 0.0000000000 0.3292638764 0.0000000000 1.0000000000 0.0000000000\n"
1155" 0.1070061063 0.0599977177 0.0000000000 0.0000000000 1.0000000000 0.1324571183 0.0000000000 0.0000000000 1.0000000000\n"
1156" 3 2 2 2 2\n"
1157" 2.3140000000 1.0000000000 0.0000000000\n"
1158" 0.6450000000 0.0000000000 1.0000000000\n"
1159"#","\n"
1160"O QZV3P-GTH-q6 QZV3P-GTH\n"
1161" 2\n"
1162" 2 0 1 6 4 4\n"
1163" 11.8298677444 -0.0658681959 0.0000000000 0.0000000000 0.0000000000 0.0389990698 0.0000000000 0.0000000000 0.0000000000\n"
1164" 4.9326307395 -0.1327117781 0.0000000000 0.0000000000 0.0000000000 0.1329824319 0.0000000000 0.0000000000 0.0000000000\n"
1165" 1.9312997298 0.1529660213 0.0000000000 0.0000000000 0.0000000000 0.2737974007 0.0000000000 0.0000000000 0.0000000000\n"
1166" 0.7724003899 0.5206439978 1.0000000000 0.0000000000 0.0000000000 0.3663338041 1.0000000000 0.0000000000 0.0000000000\n"
1167" 0.2976334392 0.4322622254 0.0000000000 1.0000000000 0.0000000000 0.3292638764 0.0000000000 1.0000000000 0.0000000000\n"
1168" 0.1070061063 0.0599977177 0.0000000000 0.0000000000 1.0000000000 0.1324571183 0.0000000000 0.0000000000 1.0000000000\n"
1169" 3 2 2 3 3\n"
1170" 3.7750000000 1.0000000000 0.0000000000 0.0000000000\n"
1171" 1.3000000000 0.0000000000 1.0000000000 0.0000000000\n"
1172" 0.4440000000 0.0000000000 0.0000000000 1.0000000000\n"
1173"#","\n"
1174"O aug-DZVP-GTH-q6 aug-DZVP-GTH\n"
1175" 4\n"
1176" 2 0 1 4 2 2\n"
1177" 8.3043855492 0.1510165999 0.0000000000 -0.0995679273 0.0000000000\n"
1178" 2.4579484191 -0.0393195364 0.0000000000 -0.3011422449 0.0000000000\n"
1179" 0.7597373434 -0.6971724029 0.0000000000 -0.4750857083 0.0000000000\n"
1180" 0.2136388632 -0.3841133622 1.0000000000 -0.3798777957 1.0000000000\n"
1181" 3 2 2 1 1\n"
1182" 1.1850000000 1.0000000000\n"
1183" 4 0 0 1 1\n"
1184" 0.0789600000 1.0000000000\n"
1185" 4 1 1 1 1\n"
1186" 0.0685600000 1.0000000000\n"
1187"#","\n"
1188"O aug-TZVP-GTH-q6 aug-TZVP-GTH\n"
1189" 4\n"
1190" 2 0 1 5 3 3\n"
1191" 10.2674419938 0.0989598460 0.0000000000 0.0000000000 -0.0595856940 0.0000000000 0.0000000000 0.0000000000\n"
1192" 3.7480495696 0.1041178339 0.0000000000 0.0000000000 -0.1875649045 0.0000000000 0.0000000000 0.0000000000\n"
1193" 1.3308337704 -0.3808255700 0.0000000000 0.0000000000 -0.3700707718 0.0000000000 0.0000000000 0.0000000000\n"
1194" 0.4556802254 -0.6232449802 1.0000000000 0.0000000000 -0.4204922615 1.0000000000 0.0000000000 0.0000000000\n"
1195" 0.1462920596 -0.1677863491 0.0000000000 1.0000000000 -0.2313901687 0.0000000000 1.0000000000 0.0000000000\n"
1196" 3 2 2 1 1\n"
1197" 1.1850000000 1.0000000000\n"
1198" 5 0 0 1 1\n"
1199" 0.0737600000 1.0000000000\n"
1200" 5 1 1 1 1\n"
1201" 0.0597400000 1.0000000000\n"
1202"#","\n"
1203"O aug-TZV2P-GTH-q6 aug-TZV2P-GTH\n"
1204" 4\n"
1205" 2 0 1 5 3 3\n"
1206" 10.2674419938 0.0989598460 0.0000000000 0.0000000000 -0.0595856940 0.0000000000 0.0000000000 0.0000000000\n"
1207" 3.7480495696 0.1041178339 0.0000000000 0.0000000000 -0.1875649045 0.0000000000 0.0000000000 0.0000000000\n"
1208" 1.3308337704 -0.3808255700 0.0000000000 0.0000000000 -0.3700707718 0.0000000000 0.0000000000 0.0000000000\n"
1209" 0.4556802254 -0.6232449802 1.0000000000 0.0000000000 -0.4204922615 1.0000000000 0.0000000000 0.0000000000\n"
1210" 0.1462920596 -0.1677863491 0.0000000000 1.0000000000 -0.2313901687 0.0000000000 1.0000000000 0.0000000000\n"
1211" 3 2 2 2 2\n"
1212" 2.3140000000 1.0000000000 0.0000000000\n"
1213" 0.6450000000 0.0000000000 1.0000000000\n"
1214" 5 0 0 1 1\n"
1215" 0.0737600000 1.0000000000\n"
1216" 5 1 1 1 1\n"
1217" 0.0597400000 1.0000000000\n"
1218"#","\n"
1219"O aug-QZV2P-GTH-q6 aug-QZV2P-GTH\n"
1220" 4\n"
1221" 2 0 1 6 4 4\n"
1222" 11.8298677444 -0.0658681959 0.0000000000 0.0000000000 0.0000000000 0.0389990698 0.0000000000 0.0000000000 0.0000000000\n"
1223" 4.9326307395 -0.1327117781 0.0000000000 0.0000000000 0.0000000000 0.1329824319 0.0000000000 0.0000000000 0.0000000000\n"
1224" 1.9312997298 0.1529660213 0.0000000000 0.0000000000 0.0000000000 0.2737974007 0.0000000000 0.0000000000 0.0000000000\n"
1225" 0.7724003899 0.5206439978 1.0000000000 0.0000000000 0.0000000000 0.3663338041 1.0000000000 0.0000000000 0.0000000000\n"
1226" 0.2976334392 0.4322622254 0.0000000000 1.0000000000 0.0000000000 0.3292638764 0.0000000000 1.0000000000 0.0000000000\n"
1227" 0.1070061063 0.0599977177 0.0000000000 0.0000000000 1.0000000000 0.1324571183 0.0000000000 0.0000000000 1.0000000000\n"
1228" 3 2 2 2 2\n"
1229" 2.3140000000 1.0000000000 0.0000000000\n"
1230" 0.6450000000 0.0000000000 1.0000000000\n"
1231" 6 0 0 1 1\n"
1232" 0.0695900000 1.0000000000\n"
1233" 6 1 1 1 1\n"
1234" 0.0534800000 1.0000000000\n"
1235"#","\n"
1236"O aug-QZV3P-GTH-q6 aug-QZV3P-GTH\n"
1237" 4\n"
1238" 2 0 1 6 4 4\n"
1239" 11.8298677444 -0.0658681959 0.0000000000 0.0000000000 0.0000000000 0.0389990698 0.0000000000 0.0000000000 0.0000000000\n"
1240" 4.9326307395 -0.1327117781 0.0000000000 0.0000000000 0.0000000000 0.1329824319 0.0000000000 0.0000000000 0.0000000000\n"
1241" 1.9312997298 0.1529660213 0.0000000000 0.0000000000 0.0000000000 0.2737974007 0.0000000000 0.0000000000 0.0000000000\n"
1242" 0.7724003899 0.5206439978 1.0000000000 0.0000000000 0.0000000000 0.3663338041 1.0000000000 0.0000000000 0.0000000000\n"
1243" 0.2976334392 0.4322622254 0.0000000000 1.0000000000 0.0000000000 0.3292638764 0.0000000000 1.0000000000 0.0000000000\n"
1244" 0.1070061063 0.0599977177 0.0000000000 0.0000000000 1.0000000000 0.1324571183 0.0000000000 0.0000000000 1.0000000000\n"
1245" 3 2 2 3 3\n"
1246" 3.7750000000 1.0000000000 0.0000000000 0.0000000000\n"
1247" 1.3000000000 0.0000000000 1.0000000000 0.0000000000\n"
1248" 0.4440000000 0.0000000000 0.0000000000 1.0000000000\n"
1249" 6 0 0 1 1\n"
1250" 0.0695900000 1.0000000000\n"
1251" 6 1 1 1 1\n"
1252" 0.0534800000 1.0000000000\n"
1253"#","\n"
1254"F SZV-GTH-q7 SZV-GTH\n"
1255" 1\n"
1256" 2 0 1 4 1 1\n"
1257" 10.7079832847 0.1525178777 -0.1028649478\n"
1258" 3.1757210204 -0.0450363043 -0.3085265610\n"
1259" 0.9750975650 -0.6987425604 -0.4757649909\n"
1260" 0.2701246771 -0.3801470341 -0.3724954705\n"
1261"#","\n"
1262"F DZVP-GTH-q7 DZVP-GTH\n"
1263" 2\n"
1264" 2 0 1 4 2 2\n"
1265" 10.7079832847 0.1525178777 0.0000000000 -0.1028649478 0.0000000000\n"
1266" 3.1757210204 -0.0450363043 0.0000000000 -0.3085265610 0.0000000000\n"
1267" 0.9750975650 -0.6987425604 0.0000000000 -0.4757649909 0.0000000000\n"
1268" 0.2701246771 -0.3801470341 1.0000000000 -0.3724954705 1.0000000000\n"
1269" 3 2 2 1 1\n"
1270" 1.6400000000 1.0000000000\n"
1271"#","\n"
1272"F TZVP-GTH-q7 TZVP-GTH\n"
1273" 2\n"
1274" 2 0 1 5 3 3\n"
1275" 13.1625129789 0.1014784435 0.0000000000 0.0000000000 -0.0624161251 0.0000000000 0.0000000000\n"
1276" 4.7972015127 0.1001604122 0.0000000000 0.0000000000 -0.1948710850 0.0000000000 0.0000000000\n"
1277" 1.7049975196 -0.3881644200 0.0000000000 0.0000000000 -0.3737338926 0.0000000000 0.0000000000\n"
1278" 0.5814471097 -0.6179394476 1.0000000000 0.0000000000 -0.4151939502 1.0000000000 0.0000000000\n"
1279" 0.1842582220 -0.1660215122 0.0000000000 1.0000000000 -0.2267411587 0.0000000000 1.0000000000\n"
1280" 3 2 2 1 1\n"
1281" 1.6400000000 1.0000000000\n"
1282"#","\n"
1283"F TZV2P-GTH-q7 TZV2P-GTH\n"
1284" 2\n"
1285" 2 0 1 5 3 3\n"
1286" 13.1625129789 0.1014784435 0.0000000000 0.0000000000 -0.0624161251 0.0000000000 0.0000000000\n"
1287" 4.7972015127 0.1001604122 0.0000000000 0.0000000000 -0.1948710850 0.0000000000 0.0000000000\n"
1288" 1.7049975196 -0.3881644200 0.0000000000 0.0000000000 -0.3737338926 0.0000000000 0.0000000000\n"
1289" 0.5814471097 -0.6179394476 1.0000000000 0.0000000000 -0.4151939502 1.0000000000 0.0000000000\n"
1290" 0.1842582220 -0.1660215122 0.0000000000 1.0000000000 -0.2267411587 0.0000000000 1.0000000000\n"
1291" 3 2 2 2 2\n"
1292" 3.1070000000 1.0000000000 0.0000000000\n"
1293" 0.8550000000 0.0000000000 1.0000000000\n"
1294"#","\n"
1295"F QZV2P-GTH-q7 QZV2P-GTH\n"
1296" 2\n"
1297" 2 0 1 6 4 4\n"
1298" 15.1623003547 -0.0676084899 0.0000000000 0.0000000000 0.0000000000 0.0407647530 0.0000000000 0.0000000000 0.0000000000\n"
1299" 6.3418425141 -0.1317375108 0.0000000000 0.0000000000 0.0000000000 0.1374408584 0.0000000000 0.0000000000 0.0000000000\n"
1300" 2.4900230297 0.1587177173 0.0000000000 0.0000000000 0.0000000000 0.2789708771 0.0000000000 0.0000000000 0.0000000000\n"
1301" 0.9919240308 0.5210056191 1.0000000000 0.0000000000 0.0000000000 0.3662011969 1.0000000000 0.0000000000 0.0000000000\n"
1302" 0.3793151196 0.4286790556 0.0000000000 1.0000000000 0.0000000000 0.3234540792 0.0000000000 1.0000000000 0.0000000000\n"
1303" 0.1348132586 0.0598520782 0.0000000000 0.0000000000 1.0000000000 0.1307942509 0.0000000000 0.0000000000 1.0000000000\n"
1304" 3 2 2 2 2\n"
1305" 3.1070000000 1.0000000000 0.0000000000\n"
1306" 0.8550000000 0.0000000000 1.0000000000\n"
1307"#","\n"
1308"F QZV3P-GTH-q7 QZV3P-GTH\n"
1309" 2\n"
1310" 2 0 1 6 4 4\n"
1311" 15.1623003547 -0.0676084899 0.0000000000 0.0000000000 0.0000000000 0.0407647530 0.0000000000 0.0000000000 0.0000000000\n"
1312" 6.3418425141 -0.1317375108 0.0000000000 0.0000000000 0.0000000000 0.1374408584 0.0000000000 0.0000000000 0.0000000000\n"
1313" 2.4900230297 0.1587177173 0.0000000000 0.0000000000 0.0000000000 0.2789708771 0.0000000000 0.0000000000 0.0000000000\n"
1314" 0.9919240308 0.5210056191 1.0000000000 0.0000000000 0.0000000000 0.3662011969 1.0000000000 0.0000000000 0.0000000000\n"
1315" 0.3793151196 0.4286790556 0.0000000000 1.0000000000 0.0000000000 0.3234540792 0.0000000000 1.0000000000 0.0000000000\n"
1316" 0.1348132586 0.0598520782 0.0000000000 0.0000000000 1.0000000000 0.1307942509 0.0000000000 0.0000000000 1.0000000000\n"
1317" 3 2 2 3 3\n"
1318" 5.0140000000 1.0000000000 0.0000000000 0.0000000000\n"
1319" 1.7250000000 0.0000000000 1.0000000000 0.0000000000\n"
1320" 0.5860000000 0.0000000000 0.0000000000 1.0000000000\n"
1321"#","\n"
1322"F aug-DZVP-GTH-q7 aug-DZVP-GTH\n"
1323" 4\n"
1324" 2 0 1 4 2 2\n"
1325" 10.7079832847 0.1525178777 0.0000000000 -0.1028649478 0.0000000000\n"
1326" 3.1757210204 -0.0450363043 0.0000000000 -0.3085265610 0.0000000000\n"
1327" 0.9750975650 -0.6987425604 0.0000000000 -0.4757649909 0.0000000000\n"
1328" 0.2701246771 -0.3801470341 1.0000000000 -0.3724954705 1.0000000000\n"
1329" 3 2 2 1 1\n"
1330" 1.6400000000 1.0000000000\n"
1331" 2 0 0 1 1\n"
1332" 0.09863000 1.0000000000\n"
1333" 2 1 1 1 1\n"
1334" 0.08502000 1.0000000000\n"
1335"#","\n"
1336"F aug-TZVP-GTH-q7 aug-TZVP-GTH\n"
1337" 4\n"
1338" 2 0 1 5 3 3\n"
1339" 13.1625129789 0.1014784435 0.0000000000 0.0000000000 -0.0624161251 0.0000000000 0.0000000000\n"
1340" 4.7972015127 0.1001604122 0.0000000000 0.0000000000 -0.1948710850 0.0000000000 0.0000000000\n"
1341" 1.7049975196 -0.3881644200 0.0000000000 0.0000000000 -0.3737338926 0.0000000000 0.0000000000\n"
1342" 0.5814471097 -0.6179394476 1.0000000000 0.0000000000 -0.4151939502 1.0000000000 0.0000000000\n"
1343" 0.1842582220 -0.1660215122 0.0000000000 1.0000000000 -0.2267411587 0.0000000000 1.0000000000\n"
1344" 3 2 2 1 1\n"
1345" 1.6400000000 1.0000000000\n"
1346" 2 0 0 1 1\n"
1347" 0.09158000 1.0000000000\n"
1348" 2 1 1 1 1\n"
1349" 0.07361000 1.0000000000\n"
1350"#","\n"
1351"F aug-TZV2P-GTH-q7 aug-TZV2P-GTH\n"
1352" 4\n"
1353" 2 0 1 5 3 3\n"
1354" 13.1625129789 0.1014784435 0.0000000000 0.0000000000 -0.0624161251 0.0000000000 0.0000000000\n"
1355" 4.7972015127 0.1001604122 0.0000000000 0.0000000000 -0.1948710850 0.0000000000 0.0000000000\n"
1356" 1.7049975196 -0.3881644200 0.0000000000 0.0000000000 -0.3737338926 0.0000000000 0.0000000000\n"
1357" 0.5814471097 -0.6179394476 1.0000000000 0.0000000000 -0.4151939502 1.0000000000 0.0000000000\n"
1358" 0.1842582220 -0.1660215122 0.0000000000 1.0000000000 -0.2267411587 0.0000000000 1.0000000000\n"
1359" 3 2 2 2 2\n"
1360" 3.1070000000 1.0000000000 0.0000000000\n"
1361" 0.8550000000 0.0000000000 1.0000000000\n"
1362" 2 0 0 1 1\n"
1363" 0.09158000 1.0000000000\n"
1364" 2 1 1 1 1\n"
1365" 0.07361000 1.0000000000\n"
1366"#","\n"
1367"F aug-QZV2P-GTH-q7 aug-QZV2P-GTH\n"
1368" 4\n"
1369" 2 0 1 6 4 4\n"
1370" 15.1623003547 -0.0676084899 0.0000000000 0.0000000000 0.0000000000 0.0407647530 0.0000000000 0.0000000000 0.0000000000\n"
1371" 6.3418425141 -0.1317375108 0.0000000000 0.0000000000 0.0000000000 0.1374408584 0.0000000000 0.0000000000 0.0000000000\n"
1372" 2.4900230297 0.1587177173 0.0000000000 0.0000000000 0.0000000000 0.2789708771 0.0000000000 0.0000000000 0.0000000000\n"
1373" 0.9919240308 0.5210056191 1.0000000000 0.0000000000 0.0000000000 0.3662011969 1.0000000000 0.0000000000 0.0000000000\n"
1374" 0.3793151196 0.4286790556 0.0000000000 1.0000000000 0.0000000000 0.3234540792 0.0000000000 1.0000000000 0.0000000000\n"
1375" 0.1348132586 0.0598520782 0.0000000000 0.0000000000 1.0000000000 0.1307942509 0.0000000000 0.0000000000 1.0000000000\n"
1376" 3 2 2 2 2\n"
1377" 3.1070000000 1.0000000000 0.0000000000\n"
1378" 0.8550000000 0.0000000000 1.0000000000\n"
1379" 2 0 0 1 1\n"
1380" 0.08594000 1.0000000000\n"
1381" 2 1 1 1 1\n"
1382" 0.06568000 1.0000000000\n"
1383"#","\n"
1384"F aug-QZV3P-GTH-q7 aug-QZV3P-GTH\n"
1385" 4\n"
1386" 2 0 1 6 4 4\n"
1387" 15.1623003547 -0.0676084899 0.0000000000 0.0000000000 0.0000000000 0.0407647530 0.0000000000 0.0000000000 0.0000000000\n"
1388" 6.3418425141 -0.1317375108 0.0000000000 0.0000000000 0.0000000000 0.1374408584 0.0000000000 0.0000000000 0.0000000000\n"
1389" 2.4900230297 0.1587177173 0.0000000000 0.0000000000 0.0000000000 0.2789708771 0.0000000000 0.0000000000 0.0000000000\n"
1390" 0.9919240308 0.5210056191 1.0000000000 0.0000000000 0.0000000000 0.3662011969 1.0000000000 0.0000000000 0.0000000000\n"
1391" 0.3793151196 0.4286790556 0.0000000000 1.0000000000 0.0000000000 0.3234540792 0.0000000000 1.0000000000 0.0000000000\n"
1392" 0.1348132586 0.0598520782 0.0000000000 0.0000000000 1.0000000000 0.1307942509 0.0000000000 0.0000000000 1.0000000000\n"
1393" 3 2 2 3 3\n"
1394" 5.0140000000 1.0000000000 0.0000000000 0.0000000000\n"
1395" 1.7250000000 0.0000000000 1.0000000000 0.0000000000\n"
1396" 0.5860000000 0.0000000000 0.0000000000 1.0000000000\n"
1397" 2 0 0 1 1\n"
1398" 0.08594000 1.0000000000\n"
1399" 2 1 1 1 1\n"
1400" 0.06568000 1.0000000000\n"
1401"#","\n"
1402"Ne SZV-GTH-q8 SZV-GTH\n"
1403" 1\n"
1404" 2 0 1 4 1 1\n"
1405" 13.7594449156 0.1483426747 -0.1044041225\n"
1406" 4.0425282819 -0.0356307196 -0.3108899020\n"
1407" 1.2355181615 -0.7010729520 -0.4760216511\n"
1408" 0.3367029925 -0.3841118307 -0.3721570391\n"
1409"#","\n"
1410"Ne DZVP-GTH-q8 DZVP-GTH\n"
1411" 2\n"
1412" 2 0 1 4 2 2\n"
1413" 13.7594449156 0.1483426747 0.0000000000 -0.1044041225 0.0000000000\n"
1414" 4.0425282819 -0.0356307196 0.0000000000 -0.3108899020 0.0000000000\n"
1415" 1.2355181615 -0.7010729520 0.0000000000 -0.4760216511 0.0000000000\n"
1416" 0.3367029925 -0.3841118307 1.0000000000 -0.3721570391 1.0000000000\n"
1417" 3 2 2 1 1\n"
1418" 2.2020000000 1.0000000000\n"
1419"#","\n"
1420"Ne TZVP-GTH-q8 TZVP-GTH\n"
1421" 2\n"
1422" 2 0 1 5 3 3\n"
1423" 17.0406976441 0.0956582854 0.0000000000 0.0000000000 -0.0631287607 0.0000000000 0.0000000000\n"
1424" 6.1494859942 0.1095546500 0.0000000000 0.0000000000 -0.1953504506 0.0000000000 0.0000000000\n"
1425" 2.1810891675 -0.3850952695 0.0000000000 0.0000000000 -0.3747245390 0.0000000000 0.0000000000\n"
1426" 0.7370336206 -0.6201458095 1.0000000000 0.0000000000 -0.4151315545 1.0000000000 0.0000000000\n"
1427" 0.2296296929 -0.1719183539 0.0000000000 1.0000000000 -0.2286539782 0.0000000000 1.0000000000\n"
1428" 3 2 2 1 1\n"
1429" 2.2020000000 1.0000000000\n"
1430"#","\n"
1431"Ne TZV2P-GTH-q8 TZV2P-GTH\n"
1432" 2\n"
1433" 2 0 1 5 3 3\n"
1434" 17.0406976441 0.0956582854 0.0000000000 0.0000000000 -0.0631287607 0.0000000000 0.0000000000\n"
1435" 6.1494859942 0.1095546500 0.0000000000 0.0000000000 -0.1953504506 0.0000000000 0.0000000000\n"
1436" 2.1810891675 -0.3850952695 0.0000000000 0.0000000000 -0.3747245390 0.0000000000 0.0000000000\n"
1437" 0.7370336206 -0.6201458095 1.0000000000 0.0000000000 -0.4151315545 1.0000000000 0.0000000000\n"
1438" 0.2296296929 -0.1719183539 0.0000000000 1.0000000000 -0.2286539782 0.0000000000 1.0000000000\n"
1439" 3 2 2 2 2\n"
1440" 4.0140000000 1.0000000000 0.0000000000\n"
1441" 1.0960000000 0.0000000000 1.0000000000\n"
1442"#","\n"
1443"Ne QZV2P-GTH-q8 QZV2P-GTH\n"
1444" 2\n"
1445" 2 0 1 6 4 4\n"
1446" 19.5499411153 -0.0632766758 0.0000000000 0.0000000000 0.0000000000 0.0422167837 0.0000000000 0.0000000000 0.0000000000\n"
1447" 8.0769601838 -0.1370919085 0.0000000000 0.0000000000 0.0000000000 0.1383304483 0.0000000000 0.0000000000 0.0000000000\n"
1448" 3.1678758504 0.1578325934 0.0000000000 0.0000000000 0.0000000000 0.2813677061 0.0000000000 0.0000000000 0.0000000000\n"
1449" 1.2535625634 0.5200705489 1.0000000000 0.0000000000 0.0000000000 0.3669217463 1.0000000000 0.0000000000 0.0000000000\n"
1450" 0.4749693396 0.4313985613 0.0000000000 1.0000000000 0.0000000000 0.3213403173 0.0000000000 1.0000000000 0.0000000000\n"
1451" 0.1666682167 0.0613040256 0.0000000000 0.0000000000 1.0000000000 0.1317714527 0.0000000000 0.0000000000 1.0000000000\n"
1452" 3 2 2 2 2\n"
1453" 4.0140000000 1.0000000000 0.0000000000\n"
1454" 1.0960000000 0.0000000000 1.0000000000\n"
1455"#","\n"
1456"Ne QZV3P-GTH-q8 QZV3P-GTH\n"
1457" 2\n"
1458" 2 0 1 6 4 4\n"
1459" 19.5499411153 -0.0632766758 0.0000000000 0.0000000000 0.0000000000 0.0422167837 0.0000000000 0.0000000000 0.0000000000\n"
1460" 8.0769601838 -0.1370919085 0.0000000000 0.0000000000 0.0000000000 0.1383304483 0.0000000000 0.0000000000 0.0000000000\n"
1461" 3.1678758504 0.1578325934 0.0000000000 0.0000000000 0.0000000000 0.2813677061 0.0000000000 0.0000000000 0.0000000000\n"
1462" 1.2535625634 0.5200705489 1.0000000000 0.0000000000 0.0000000000 0.3669217463 1.0000000000 0.0000000000 0.0000000000\n"
1463" 0.4749693396 0.4313985613 0.0000000000 1.0000000000 0.0000000000 0.3213403173 0.0000000000 1.0000000000 0.0000000000\n"
1464" 0.1666682167 0.0613040256 0.0000000000 0.0000000000 1.0000000000 0.1317714527 0.0000000000 0.0000000000 1.0000000000\n"
1465" 3 2 2 3 3\n"
1466" 6.4710000000 1.0000000000 0.0000000000 0.0000000000\n"
1467" 2.2130000000 0.0000000000 1.0000000000 0.0000000000\n"
1468" 0.7470000000 0.0000000000 0.0000000000 1.0000000000\n"
1469"#","\n"
1470"Na SZV-GTH-q9 SZV-GTH\n"
1471" 1\n"
1472" 2 0 1 6 2 1\n"
1473" 17.6698382207 -0.1362364777 0.0270957219 0.0791980974\n"
1474" 6.9070658063 -0.0645835666 0.0098734119 0.2184139257\n"
1475" 2.6098601451 0.3866153961 -0.0737170396 0.3764887364\n"
1476" 0.9649548796 0.5971358883 -0.2186742776 0.3922304007\n"
1477" 0.3400348369 0.1756697026 -0.0301066303 0.1808407220\n"
1478" 0.0432486046 -0.0017104621 1.0388865857 0.0057696324\n"
1479"#","\n"
1480"Na DZVP-GTH-q9 DZVP-GTH\n"
1481" 2\n"
1482" 2 0 1 6 3 2\n"
1483" 17.6698382207 -0.1362364777 0.0270957219 0.0000000000 0.0791980974 0.0000000000\n"
1484" 6.9070658063 -0.0645835666 0.0098734119 0.0000000000 0.2184139257 0.0000000000\n"
1485" 2.6098601451 0.3866153961 -0.0737170396 0.0000000000 0.3764887364 0.0000000000\n"
1486" 0.9649548796 0.5971358883 -0.2186742776 0.0000000000 0.3922304007 0.0000000000\n"
1487" 0.3400348369 0.1756697026 -0.0301066303 0.0000000000 0.1808407220 0.0000000000\n"
1488" 0.0432486046 -0.0017104621 1.0388865857 1.0000000000 0.0057696324 1.0000000000\n"
1489" 3 2 2 1 1\n"
1490" 0.0973000000 1.0000000000\n"
1491"#","\n"
1492"Na TZVP-GTH-q9 TZVP-GTH\n"
1493" 2\n"
1494" 2 0 1 7 4 3\n"
1495" 18.1210741090 -0.1275232222 -0.0248047945 0.0000000000 0.0000000000 0.0729874345 0.0000000000 0.0000000000\n"
1496" 7.3775066400 -0.0812376594 -0.0171596817 0.0000000000 0.0000000000 0.1996717590 0.0000000000 0.0000000000\n"
1497" 2.8817585986 0.3277442268 0.0724090847 0.0000000000 0.0000000000 0.3527504683 0.0000000000 0.0000000000\n"
1498" 1.0990235357 0.5946658147 0.1739886836 0.0000000000 0.0000000000 0.3936231447 0.0000000000 0.0000000000\n"
1499" 0.4007387720 0.2436047977 0.1404493622 0.0000000000 0.0000000000 0.2171401481 0.0000000000 0.0000000000\n"
1500" 0.0916859420 -0.0017574619 -0.3860533721 1.0000000000 0.0000000000 0.0205070521 1.0000000000 0.0000000000\n"
1501" 0.0309750158 0.0016745741 -0.7360619920 0.0000000000 1.0000000000 -0.0045593404 0.0000000000 1.0000000000\n"
1502" 3 2 2 1 1\n"
1503" 0.0973000000 1.0000000000\n"
1504"#","\n"
1505"Na TZV2P-GTH-q9 TZV2P-GTH\n"
1506" 2\n"
1507" 2 0 1 7 4 3\n"
1508" 18.1210741090 -0.1275232222 -0.0248047945 0.0000000000 0.0000000000 0.0729874345 0.0000000000 0.0000000000\n"
1509" 7.3775066400 -0.0812376594 -0.0171596817 0.0000000000 0.0000000000 0.1996717590 0.0000000000 0.0000000000\n"
1510" 2.8817585986 0.3277442268 0.0724090847 0.0000000000 0.0000000000 0.3527504683 0.0000000000 0.0000000000\n"
1511" 1.0990235357 0.5946658147 0.1739886836 0.0000000000 0.0000000000 0.3936231447 0.0000000000 0.0000000000\n"
1512" 0.4007387720 0.2436047977 0.1404493622 0.0000000000 0.0000000000 0.2171401481 0.0000000000 0.0000000000\n"
1513" 0.0916859420 -0.0017574619 -0.3860533721 1.0000000000 0.0000000000 0.0205070521 1.0000000000 0.0000000000\n"
1514" 0.0309750158 0.0016745741 -0.7360619920 0.0000000000 1.0000000000 -0.0045593404 0.0000000000 1.0000000000\n"
1515" 3 2 2 2 2\n"
1516" 0.1367000000 1.0000000000 0.0000000000\n"
1517" 0.0636000000 0.0000000000 1.0000000000\n"
1518"#","\n"
1519"Na QZV2P-GTH-q9 QZV2P-GTH\n"
1520" 2\n"
1521" 2 0 1 8 5 4\n"
1522" 19.7241294087 0.0964646065 0.0186968769 0.0000000000 0.0000000000 0.0000000000 -0.0533754431 0.0000000000 0.0000000000 0.0000000000\n"
1523" 9.3287912748 0.1166761476 0.0236192089 0.0000000000 0.0000000000 0.0000000000 -0.1400719948 0.0000000000 0.0000000000 0.0000000000\n"
1524" 4.1199901709 -0.1393562188 -0.0290484898 0.0000000000 0.0000000000 0.0000000000 -0.2641114390 0.0000000000 0.0000000000 0.0000000000\n"
1525" 1.7720338111 -0.4584822127 -0.1108583114 0.0000000000 0.0000000000 0.0000000000 -0.3519032892 0.0000000000 0.0000000000 0.0000000000\n"
1526" 0.7498415377 -0.4636596929 -0.1735322668 0.0000000000 0.0000000000 0.0000000000 -0.3064604543 0.0000000000 0.0000000000 0.0000000000\n"
1527" 0.2996060606 -0.1092610807 -0.0565756124 1.0000000000 0.0000000000 0.0000000000 -0.1309377611 1.0000000000 0.0000000000 0.0000000000\n"
1528" 0.0698044897 0.0012749633 0.5743314061 0.0000000000 1.0000000000 0.0000000000 -0.0074120120 0.0000000000 1.0000000000 0.0000000000\n"
1529" 0.0255058383 -0.0006119521 0.5364207511 0.0000000000 0.0000000000 1.0000000000 0.0017424530 0.0000000000 0.0000000000 1.0000000000\n"
1530" 3 2 2 2 2\n"
1531" 0.1367000000 1.0000000000 0.0000000000\n"
1532" 0.0636000000 0.0000000000 1.0000000000\n"
1533"#","\n"
1534"Na QZV3P-GTH-q9 QZV3P-GTH\n"
1535" 2\n"
1536" 2 0 1 8 5 4\n"
1537" 19.7241294087 0.0964646065 0.0186968769 0.0000000000 0.0000000000 0.0000000000 -0.0533754431 0.0000000000 0.0000000000 0.0000000000\n"
1538" 9.3287912748 0.1166761476 0.0236192089 0.0000000000 0.0000000000 0.0000000000 -0.1400719948 0.0000000000 0.0000000000 0.0000000000\n"
1539" 4.1199901709 -0.1393562188 -0.0290484898 0.0000000000 0.0000000000 0.0000000000 -0.2641114390 0.0000000000 0.0000000000 0.0000000000\n"
1540" 1.7720338111 -0.4584822127 -0.1108583114 0.0000000000 0.0000000000 0.0000000000 -0.3519032892 0.0000000000 0.0000000000 0.0000000000\n"
1541" 0.7498415377 -0.4636596929 -0.1735322668 0.0000000000 0.0000000000 0.0000000000 -0.3064604543 0.0000000000 0.0000000000 0.0000000000\n"
1542" 0.2996060606 -0.1092610807 -0.0565756124 1.0000000000 0.0000000000 0.0000000000 -0.1309377611 1.0000000000 0.0000000000 0.0000000000\n"
1543" 0.0698044897 0.0012749633 0.5743314061 0.0000000000 1.0000000000 0.0000000000 -0.0074120120 0.0000000000 1.0000000000 0.0000000000\n"
1544" 0.0255058383 -0.0006119521 0.5364207511 0.0000000000 0.0000000000 1.0000000000 0.0017424530 0.0000000000 0.0000000000 1.0000000000\n"
1545" 3 2 2 3 3\n"
1546" 0.1538000000 1.0000000000 0.0000000000 0.0000000000\n"
1547" 0.0865000000 0.0000000000 1.0000000000 0.0000000000\n"
1548" 0.0487000000 0.0000000000 0.0000000000 1.0000000000\n"
1549"#","\n"
1550"Mg SZV-GTH-q10 SZV-GTH\n"
1551" 1\n"
1552" 2 0 1 6 2 1\n"
1553" 28.4894000448 -0.0662729183 0.0165018731 0.0464558886\n"
1554" 11.7278204570 -0.1706135571 0.0374283767 0.1664914738\n"
1555" 4.4443941842 0.2494781478 -0.0517347280 0.3580941241\n"
1556" 1.6070266284 0.6423214818 -0.2647624258 0.4356599896\n"
1557" 0.5690630460 0.2933234669 -0.0948461091 0.2229558550\n"
1558" 0.0763496459 -0.0002717019 1.0630071183 0.0085986529\n"
1559"#","\n"
1560"Mg DZVP-GTH-q10 DZVP-GTH\n"
1561" 2\n"
1562" 2 0 1 6 3 2\n"
1563" 28.4894000448 -0.0662729183 0.0165018731 0.0000000000 0.0464558886 0.0000000000\n"
1564" 11.7278204570 -0.1706135571 0.0374283767 0.0000000000 0.1664914738 0.0000000000\n"
1565" 4.4443941842 0.2494781478 -0.0517347280 0.0000000000 0.3580941241 0.0000000000\n"
1566" 1.6070266284 0.6423214818 -0.2647624258 0.0000000000 0.4356599896 0.0000000000\n"
1567" 0.5690630460 0.2933234669 -0.0948461091 0.0000000000 0.2229558550 0.0000000000\n"
1568" 0.0763496459 -0.0002717019 1.0630071183 1.0000000000 0.0085986529 1.0000000000\n"
1569" 3 2 2 1 1\n"
1570" 0.1870000000 1.0000000000\n"
1571"#","\n"
1572"Mg TZVP-GTH-q10 TZVP-GTH\n"
1573" 2\n"
1574" 2 0 1 7 4 3\n"
1575" 32.6102127160 -0.0379330911 -0.0088936017 0.0000000000 0.0000000000 0.0307150457 0.0000000000 0.0000000000\n"
1576" 14.0525311690 -0.1824731301 -0.0446185212 0.0000000000 0.0000000000 0.1365611853 0.0000000000 0.0000000000\n"
1577" 5.3750565930 0.1414840059 0.0361139004 0.0000000000 0.0000000000 0.3216977104 0.0000000000 0.0000000000\n"
1578" 1.9603294652 0.6092794423 0.1991926589 0.0000000000 0.0000000000 0.4406864532 0.0000000000 0.0000000000\n"
1579" 0.6985451378 0.4085543085 0.2360727936 0.0000000000 0.0000000000 0.2830209201 0.0000000000 0.0000000000\n"
1580" 0.1599451430 0.0093835755 -0.4060439955 1.0000000000 0.0000000000 0.0314202293 1.0000000000 0.0000000000\n"
1581" 0.0539901438 -0.0000358721 -0.7421716821 0.0000000000 1.0000000000 -0.0070197374 0.0000000000 1.0000000000\n"
1582" 3 2 2 1 1\n"
1583" 0.1870000000 1.0000000000\n"
1584"#","\n"
1585"Mg TZV2P-GTH-q10 TZV2P-GTH\n"
1586" 2\n"
1587" 2 0 1 7 4 3\n"
1588" 32.6102127160 -0.0379330911 -0.0088936017 0.0000000000 0.0000000000 0.0307150457 0.0000000000 0.0000000000\n"
1589" 14.0525311690 -0.1824731301 -0.0446185212 0.0000000000 0.0000000000 0.1365611853 0.0000000000 0.0000000000\n"
1590" 5.3750565930 0.1414840059 0.0361139004 0.0000000000 0.0000000000 0.3216977104 0.0000000000 0.0000000000\n"
1591" 1.9603294652 0.6092794423 0.1991926589 0.0000000000 0.0000000000 0.4406864532 0.0000000000 0.0000000000\n"
1592" 0.6985451378 0.4085543085 0.2360727936 0.0000000000 0.0000000000 0.2830209201 0.0000000000 0.0000000000\n"
1593" 0.1599451430 0.0093835755 -0.4060439955 1.0000000000 0.0000000000 0.0314202293 1.0000000000 0.0000000000\n"
1594" 0.0539901438 -0.0000358721 -0.7421716821 0.0000000000 1.0000000000 -0.0070197374 0.0000000000 1.0000000000\n"
1595" 3 2 2 2 2\n"
1596" 0.2940000000 1.0000000000 0.0000000000\n"
1597" 0.1260000000 0.0000000000 1.0000000000\n"
1598"#","\n"
1599"Mg QZV2P-GTH-q10 QZV2P-GTH\n"
1600" 2\n"
1601" 2 0 1 8 5 4\n"
1602" 38.2989934401 0.0104376055 0.0024542703 0.0000000000 0.0000000000 0.0000000000 -0.0169307005 0.0000000000 0.0000000000 0.0000000000\n"
1603" 18.2352594129 0.1600713964 0.0383890090 0.0000000000 0.0000000000 0.0000000000 -0.0880606004 0.0000000000 0.0000000000 0.0000000000\n"
1604" 7.8322039250 0.0236151231 0.0063757667 0.0000000000 0.0000000000 0.0000000000 -0.2233078530 0.0000000000 0.0000000000 0.0000000000\n"
1605" 3.2096669080 -0.3496886711 -0.0967311125 0.0000000000 0.0000000000 0.0000000000 -0.3590124156 0.0000000000 0.0000000000 0.0000000000\n"
1606" 1.3215191150 -0.5744578292 -0.2302830710 0.0000000000 0.0000000000 0.0000000000 -0.3636484834 0.0000000000 0.0000000000 0.0000000000\n"
1607" 0.5219034472 -0.2167187848 -0.1302378952 1.0000000000 0.0000000000 0.0000000000 -0.1772276014 1.0000000000 0.0000000000 0.0000000000\n"
1608" 0.1263242017 -0.0012887617 0.5892536861 0.0000000000 1.0000000000 0.0000000000 -0.0121989604 0.0000000000 1.0000000000 0.0000000000\n"
1609" 0.0449896165 -0.0003669674 0.5569471332 0.0000000000 0.0000000000 1.0000000000 0.0026934953 0.0000000000 0.0000000000 1.0000000000\n"
1610" 3 2 2 2 2\n"
1611" 0.2940000000 1.0000000000 0.0000000000\n"
1612" 0.1260000000 0.0000000000 1.0000000000\n"
1613"#","\n"
1614"Mg QZV3P-GTH-q10 QZV3P-GTH\n"
1615" 2\n"
1616" 2 0 1 8 5 4\n"
1617" 38.2989934401 0.0104376055 0.0024542703 0.0000000000 0.0000000000 0.0000000000 -0.0169307005 0.0000000000 0.0000000000 0.0000000000\n"
1618" 18.2352594129 0.1600713964 0.0383890090 0.0000000000 0.0000000000 0.0000000000 -0.0880606004 0.0000000000 0.0000000000 0.0000000000\n"
1619" 7.8322039250 0.0236151231 0.0063757667 0.0000000000 0.0000000000 0.0000000000 -0.2233078530 0.0000000000 0.0000000000 0.0000000000\n"
1620" 3.2096669080 -0.3496886711 -0.0967311125 0.0000000000 0.0000000000 0.0000000000 -0.3590124156 0.0000000000 0.0000000000 0.0000000000\n"
1621" 1.3215191150 -0.5744578292 -0.2302830710 0.0000000000 0.0000000000 0.0000000000 -0.3636484834 0.0000000000 0.0000000000 0.0000000000\n"
1622" 0.5219034472 -0.2167187848 -0.1302378952 1.0000000000 0.0000000000 0.0000000000 -0.1772276014 1.0000000000 0.0000000000 0.0000000000\n"
1623" 0.1263242017 -0.0012887617 0.5892536861 0.0000000000 1.0000000000 0.0000000000 -0.0121989604 0.0000000000 1.0000000000 0.0000000000\n"
1624" 0.0449896165 -0.0003669674 0.5569471332 0.0000000000 0.0000000000 1.0000000000 0.0026934953 0.0000000000 0.0000000000 1.0000000000\n"
1625" 3 2 2 3 3\n"
1626" 0.3570000000 1.0000000000 0.0000000000 0.0000000000\n"
1627" 0.1944000000 0.0000000000 1.0000000000 0.0000000000\n"
1628" 0.1060000000 0.0000000000 0.0000000000 1.0000000000\n"
1629"#","\n"
1630"Al SZV-GTH-q3 SZV-GTH\n"
1631" 1\n"
1632" 3 0 1 4 1 1\n"
1633" 0.9504275958 0.2820078575 0.0257257859\n"
1634" 0.2947366659 -0.2787607042 -0.2528156908\n"
1635" 0.1124426785 -0.7494973519 -0.5124696636\n"
1636" 0.0396003631 -0.1645895071 -0.3831165034\n"
1637"#","\n"
1638"Al DZVP-GTH-q3 DZVP-GTH\n"
1639" 2\n"
1640" 3 0 1 4 2 2\n"
1641" 0.9504275958 0.2820078575 0.0000000000 0.0257257859 0.0000000000\n"
1642" 0.2947366659 -0.2787607042 0.0000000000 -0.2528156908 0.0000000000\n"
1643" 0.1124426785 -0.7494973519 0.0000000000 -0.5124696636 0.0000000000\n"
1644" 0.0396003631 -0.1645895071 1.0000000000 -0.3831165034 1.0000000000\n"
1645" 3 2 2 1 1\n"
1646" 0.1890000000 1.0000000000\n"
1647"#","\n"
1648"Al TZVP-GTH-q3 TZVP-GTH\n"
1649" 2\n"
1650" 3 0 1 5 3 3\n"
1651" 0.9710403542 0.2731273083 0.0000000000 0.0000000000 0.0318495312 0.0000000000 0.0000000000\n"
1652" 0.3604758056 -0.1164353642 0.0000000000 0.0000000000 -0.1582365164 0.0000000000 0.0000000000\n"
1653" 0.1582849401 -0.6159606293 0.0000000000 0.0000000000 -0.3791239519 0.0000000000 0.0000000000\n"
1654" 0.0674736203 -0.4172871263 1.0000000000 0.0000000000 -0.4457455282 1.0000000000 0.0000000000\n"
1655" 0.0267010818 -0.0326661237 0.0000000000 1.0000000000 -0.1788784308 0.0000000000 1.0000000000\n"
1656" 3 2 2 1 1\n"
1657" 0.1890000000 1.0000000000\n"
1658"#","\n"
1659"Al TZV2P-GTH-q3 TZV2P-GTH\n"
1660" 2\n"
1661" 3 0 1 5 3 3\n"
1662" 0.9710403542 0.2731273083 0.0000000000 0.0000000000 0.0318495312 0.0000000000 0.0000000000\n"
1663" 0.3604758056 -0.1164353642 0.0000000000 0.0000000000 -0.1582365164 0.0000000000 0.0000000000\n"
1664" 0.1582849401 -0.6159606293 0.0000000000 0.0000000000 -0.3791239519 0.0000000000 0.0000000000\n"
1665" 0.0674736203 -0.4172871263 1.0000000000 0.0000000000 -0.4457455282 1.0000000000 0.0000000000\n"
1666" 0.0267010818 -0.0326661237 0.0000000000 1.0000000000 -0.1788784308 0.0000000000 1.0000000000\n"
1667" 3 2 2 2 2\n"
1668" 0.3330000000 1.0000000000 0.0000000000\n"
1669" 0.1090000000 0.0000000000 1.0000000000\n"
1670"#","\n"
1671"Al QZV2P-GTH-q3 QZV2P-GTH\n"
1672" 2\n"
1673" 3 0 1 6 4 4\n"
1674" 3.0705249839 0.0027352701 0.0000000000 0.0000000000 0.0000000000 0.0044124453 0.0000000000 0.0000000000 0.0000000000\n"
1675" 0.9962478983 -0.2668117634 0.0000000000 0.0000000000 0.0000000000 -0.0401883011 0.0000000000 0.0000000000 0.0000000000\n"
1676" 0.4094779636 0.0618740192 0.0000000000 0.0000000000 0.0000000000 0.1289865679 0.0000000000 0.0000000000 0.0000000000\n"
1677" 0.1732890531 0.5987573069 1.0000000000 0.0000000000 0.0000000000 0.3723262575 1.0000000000 0.0000000000 0.0000000000\n"
1678" 0.0723986239 0.4707960559 0.0000000000 1.0000000000 0.0000000000 0.4626980717 0.0000000000 1.0000000000 0.0000000000\n"
1679" 0.0282432465 0.0425944411 0.0000000000 0.0000000000 1.0000000000 0.2032552207 0.0000000000 0.0000000000 1.0000000000\n"
1680" 3 2 2 2 2\n"
1681" 0.3330000000 1.0000000000 0.0000000000\n"
1682" 0.1090000000 0.0000000000 1.0000000000\n"
1683"#","\n"
1684"Al QZV3P-GTH-q3 QZV3P-GTH\n"
1685" 2\n"
1686" 3 0 1 6 4 4\n"
1687" 3.0705249839 0.0027352701 0.0000000000 0.0000000000 0.0000000000 0.0044124453 0.0000000000 0.0000000000 0.0000000000\n"
1688" 0.9962478983 -0.2668117634 0.0000000000 0.0000000000 0.0000000000 -0.0401883011 0.0000000000 0.0000000000 0.0000000000\n"
1689" 0.4094779636 0.0618740192 0.0000000000 0.0000000000 0.0000000000 0.1289865679 0.0000000000 0.0000000000 0.0000000000\n"
1690" 0.1732890531 0.5987573069 1.0000000000 0.0000000000 0.0000000000 0.3723262575 1.0000000000 0.0000000000 0.0000000000\n"
1691" 0.0723986239 0.4707960559 0.0000000000 1.0000000000 0.0000000000 0.4626980717 0.0000000000 1.0000000000 0.0000000000\n"
1692" 0.0282432465 0.0425944411 0.0000000000 0.0000000000 1.0000000000 0.2032552207 0.0000000000 0.0000000000 1.0000000000\n"
1693" 3 2 2 3 3\n"
1694" 0.4940000000 1.0000000000 0.0000000000 0.0000000000\n"
1695" 0.1990000000 0.0000000000 1.0000000000 0.0000000000\n"
1696" 0.0804000000 0.0000000000 0.0000000000 1.0000000000\n"
1697"#","\n"
1698"Si SZV-GTH-q4 SZV-GTH\n"
1699" 1\n"
1700" 3 0 1 4 1 1\n"
1701" 1.2032403600 0.3290356759 0.0474536439\n"
1702" 0.4688385970 -0.2533162616 -0.2594495462\n"
1703" 0.1679853910 -0.7870936517 -0.5440932235\n"
1704" 0.0575616890 -0.1909870193 -0.3623984652\n"
1705"#","\n"
1706"Si DZVP-GTH-q4 DZVP-GTH\n"
1707" 2\n"
1708" 3 0 1 4 2 2\n"
1709" 1.2032403600 0.3290356759 0.0000000000 0.0474536439 0.0000000000\n"
1710" 0.4688385970 -0.2533162616 0.0000000000 -0.2594495462 0.0000000000\n"
1711" 0.1679853910 -0.7870936517 0.0000000000 -0.5440932235 0.0000000000\n"
1712" 0.0575616890 -0.1909870193 1.0000000000 -0.3623984652 1.0000000000\n"
1713" 3 2 2 1 1\n"
1714" 0.2750000000 1.0000000000\n"
1715"#","\n"
1716"Si TZVP-GTH-q4 TZVP-GTH\n"
1717" 2\n"
1718" 3 0 1 5 3 3\n"
1719" 1.2331731434 0.3150424674 0.0000000000 0.0000000000 0.0667574395 0.0000000000 0.0000000000\n"
1720" 0.6579957180 -0.0732928041 0.0000000000 0.0000000000 -0.1473516106 0.0000000000 0.0000000000\n"
1721" 0.2547041526 -0.5862322199 0.0000000000 0.0000000000 -0.4034178654 0.0000000000 0.0000000000\n"
1722" 0.1060089904 -0.5051712664 1.0000000000 0.0000000000 -0.4457008802 1.0000000000 0.0000000000\n"
1723" 0.0418790646 -0.0507253610 0.0000000000 1.0000000000 -0.1941498294 0.0000000000 1.0000000000\n"
1724" 3 2 2 1 1\n"
1725" 0.2750000000 1.0000000000\n"
1726"#","\n"
1727"Si TZV2P-GTH-q4 TZV2P-GTH\n"
1728" 2\n"
1729" 3 0 1 5 3 3\n"
1730" 1.2331731434 0.3150424674 0.0000000000 0.0000000000 0.0667574395 0.0000000000 0.0000000000\n"
1731" 0.6579957180 -0.0732928041 0.0000000000 0.0000000000 -0.1473516106 0.0000000000 0.0000000000\n"
1732" 0.2547041526 -0.5862322199 0.0000000000 0.0000000000 -0.4034178654 0.0000000000 0.0000000000\n"
1733" 0.1060089904 -0.5051712664 1.0000000000 0.0000000000 -0.4457008802 1.0000000000 0.0000000000\n"
1734" 0.0418790646 -0.0507253610 0.0000000000 1.0000000000 -0.1941498294 0.0000000000 1.0000000000\n"
1735" 3 2 2 2 2\n"
1736" 0.4810000000 1.0000000000 0.0000000000\n"
1737" 0.1590000000 0.0000000000 1.0000000000\n"
1738"#","\n"
1739"Si QZV2P-GTH-q4 QZV2P-GTH\n"
1740" 2\n"
1741" 3 0 1 6 4 4\n"
1742" 3.0914606934 0.0124908161 0.0000000000 0.0000000000 0.0000000000 -0.0027532026 0.0000000000 0.0000000000 0.0000000000\n"
1743" 1.3362310368 -0.2927569134 0.0000000000 0.0000000000 0.0000000000 -0.0422856821 0.0000000000 0.0000000000 0.0000000000\n"
1744" 0.5649726509 0.0456455175 0.0000000000 0.0000000000 0.0000000000 0.1468609670 0.0000000000 0.0000000000 0.0000000000\n"
1745" 0.2466543506 0.6102734005 1.0000000000 0.0000000000 0.0000000000 0.3930678123 1.0000000000 0.0000000000 0.0000000000\n"
1746" 0.1028862952 0.4799377663 0.0000000000 1.0000000000 0.0000000000 0.4491746304 0.0000000000 1.0000000000 0.0000000000\n"
1747" 0.0403147900 0.0462217432 0.0000000000 0.0000000000 1.0000000000 0.1794865096 0.0000000000 0.0000000000 1.0000000000\n"
1748" 3 2 2 2 2\n"
1749" 0.4810000000 1.0000000000 0.0000000000\n"
1750" 0.1590000000 0.0000000000 1.0000000000\n"
1751"#","\n"
1752"Si QZV3P-GTH-q4 QZV3P-GTH\n"
1753" 2\n"
1754" 3 0 1 6 4 4\n"
1755" 3.0914606934 0.0124908161 0.0000000000 0.0000000000 0.0000000000 -0.0027532026 0.0000000000 0.0000000000 0.0000000000\n"
1756" 1.3362310368 -0.2927569134 0.0000000000 0.0000000000 0.0000000000 -0.0422856821 0.0000000000 0.0000000000 0.0000000000\n"
1757" 0.5649726509 0.0456455175 0.0000000000 0.0000000000 0.0000000000 0.1468609670 0.0000000000 0.0000000000 0.0000000000\n"
1758" 0.2466543506 0.6102734005 1.0000000000 0.0000000000 0.0000000000 0.3930678123 1.0000000000 0.0000000000 0.0000000000\n"
1759" 0.1028862952 0.4799377663 0.0000000000 1.0000000000 0.0000000000 0.4491746304 0.0000000000 1.0000000000 0.0000000000\n"
1760" 0.0403147900 0.0462217432 0.0000000000 0.0000000000 1.0000000000 0.1794865096 0.0000000000 0.0000000000 1.0000000000\n"
1761" 3 2 2 3 3\n"
1762" 0.7600000000 1.0000000000 0.0000000000 0.0000000000\n"
1763" 0.3020000000 0.0000000000 1.0000000000 0.0000000000\n"
1764" 0.1200000000 0.0000000000 0.0000000000 1.0000000000\n"
1765"#","\n"
1766"Si aug-DZVP-GTH-q4 aug-DZVP-GTH\n"
1767" 4\n"
1768" 3 0 1 4 2 2\n"
1769" 1.2032403600 0.3290356759 0.0000000000 0.0474536439 0.0000000000\n"
1770" 0.4688385970 -0.2533162616 0.0000000000 -0.2594495462 0.0000000000\n"
1771" 0.1679853910 -0.7870936517 0.0000000000 -0.5440932235 0.0000000000\n"
1772" 0.0575616890 -0.1909870193 1.0000000000 -0.3623984652 1.0000000000\n"
1773" 3 2 2 1 1\n"
1774" 0.2750000000 1.0000000000\n"
1775" 3 0 0 1 1\n"
1776" 0.03320000 1.0000000000\n"
1777" 3 1 1 1 1\n"
1778" 0.02500000 1.0000000000\n"
1779"#","\n"
1780"Si aug-TZVP-GTH-q4 aug-TZVP-GTH\n"
1781" 4\n"
1782" 3 0 1 5 3 3\n"
1783" 1.2331731434 0.3150424674 0.0000000000 0.0000000000 0.0667574395 0.0000000000 0.0000000000\n"
1784" 0.6579957180 -0.0732928041 0.0000000000 0.0000000000 -0.1473516106 0.0000000000 0.0000000000\n"
1785" 0.2547041526 -0.5862322199 0.0000000000 0.0000000000 -0.4034178654 0.0000000000 0.0000000000\n"
1786" 0.1060089904 -0.5051712664 1.0000000000 0.0000000000 -0.4457008802 1.0000000000 0.0000000000\n"
1787" 0.0418790646 -0.0507253610 0.0000000000 1.0000000000 -0.1941498294 0.0000000000 1.0000000000\n"
1788" 3 2 2 1 1\n"
1789" 0.2750000000 1.0000000000\n"
1790" 3 0 0 1 1\n"
1791" 0.03300000 1.0000000000\n"
1792" 3 1 1 1 1\n"
1793" 0.02370000 1.0000000000\n"
1794"#","\n"
1795"Si aug-TZV2P-GTH-q4 aug-TZV2P-GTH\n"
1796" 4\n"
1797" 3 0 1 5 3 3\n"
1798" 1.2331731434 0.3150424674 0.0000000000 0.0000000000 0.0667574395 0.0000000000 0.0000000000\n"
1799" 0.6579957180 -0.0732928041 0.0000000000 0.0000000000 -0.1473516106 0.0000000000 0.0000000000\n"
1800" 0.2547041526 -0.5862322199 0.0000000000 0.0000000000 -0.4034178654 0.0000000000 0.0000000000\n"
1801" 0.1060089904 -0.5051712664 1.0000000000 0.0000000000 -0.4457008802 1.0000000000 0.0000000000\n"
1802" 0.0418790646 -0.0507253610 0.0000000000 1.0000000000 -0.1941498294 0.0000000000 1.0000000000\n"
1803" 3 2 2 2 2\n"
1804" 0.4810000000 1.0000000000 0.0000000000\n"
1805" 0.1590000000 0.0000000000 1.0000000000\n"
1806" 3 0 0 1 1\n"
1807" 0.03300000 1.0000000000\n"
1808" 3 1 1 1 1\n"
1809" 0.02370000 1.0000000000\n"
1810"#","\n"
1811"Si aug-QZV2P-GTH-q4 aug-QZV2P-GTH\n"
1812" 4\n"
1813" 3 0 1 6 4 4\n"
1814" 3.0914606934 0.0124908161 0.0000000000 0.0000000000 0.0000000000 -0.0027532026 0.0000000000 0.0000000000 0.0000000000\n"
1815" 1.3362310368 -0.2927569134 0.0000000000 0.0000000000 0.0000000000 -0.0422856821 0.0000000000 0.0000000000 0.0000000000\n"
1816" 0.5649726509 0.0456455175 0.0000000000 0.0000000000 0.0000000000 0.1468609670 0.0000000000 0.0000000000 0.0000000000\n"
1817" 0.2466543506 0.6102734005 1.0000000000 0.0000000000 0.0000000000 0.3930678123 1.0000000000 0.0000000000 0.0000000000\n"
1818" 0.1028862952 0.4799377663 0.0000000000 1.0000000000 0.0000000000 0.4491746304 0.0000000000 1.0000000000 0.0000000000\n"
1819" 0.0403147900 0.0462217432 0.0000000000 0.0000000000 1.0000000000 0.1794865096 0.0000000000 0.0000000000 1.0000000000\n"
1820" 3 2 2 2 2\n"
1821" 0.4810000000 1.0000000000 0.0000000000\n"
1822" 0.1590000000 0.0000000000 1.0000000000\n"
1823" 3 0 0 1 1\n"
1824" 0.02750000 1.0000000000\n"
1825" 3 1 1 1 1\n"
1826" 0.02000000 1.0000000000\n"
1827"#","\n"
1828"Si aug-QZV3P-GTH-q4 aug-QZV3P-GTH\n"
1829" 4\n"
1830" 3 0 1 6 4 4\n"
1831" 3.0914606934 0.0124908161 0.0000000000 0.0000000000 0.0000000000 -0.0027532026 0.0000000000 0.0000000000 0.0000000000\n"
1832" 1.3362310368 -0.2927569134 0.0000000000 0.0000000000 0.0000000000 -0.0422856821 0.0000000000 0.0000000000 0.0000000000\n"
1833" 0.5649726509 0.0456455175 0.0000000000 0.0000000000 0.0000000000 0.1468609670 0.0000000000 0.0000000000 0.0000000000\n"
1834" 0.2466543506 0.6102734005 1.0000000000 0.0000000000 0.0000000000 0.3930678123 1.0000000000 0.0000000000 0.0000000000\n"
1835" 0.1028862952 0.4799377663 0.0000000000 1.0000000000 0.0000000000 0.4491746304 0.0000000000 1.0000000000 0.0000000000\n"
1836" 0.0403147900 0.0462217432 0.0000000000 0.0000000000 1.0000000000 0.1794865096 0.0000000000 0.0000000000 1.0000000000\n"
1837" 3 2 2 3 3\n"
1838" 0.7600000000 1.0000000000 0.0000000000 0.0000000000\n"
1839" 0.3020000000 0.0000000000 1.0000000000 0.0000000000\n"
1840" 0.1200000000 0.0000000000 0.0000000000 1.0000000000\n"
1841" 3 0 0 1 1\n"
1842" 0.02750000 1.0000000000\n"
1843" 3 1 1 1 1\n"
1844" 0.02000000 1.0000000000\n"
1845"#","\n"
1846"P SZV-GTH-q5 SZV-GTH\n"
1847" 1\n"
1848" 3 0 1 4 1 1\n"
1849" 1.4960907993 0.3653124842 0.0816205767\n"
1850" 0.7169067467 -0.2125748699 -0.2627397053\n"
1851" 0.2411464781 -0.8136091436 -0.5627246555\n"
1852" 0.0803414677 -0.2362413556 -0.3691448735\n"
1853"#","\n"
1854"P DZVP-GTH-q5 DZVP-GTH\n"
1855" 2\n"
1856" 3 0 1 4 2 2\n"
1857" 1.4960907993 0.3653124842 0.0000000000 0.0816205767 0.0000000000\n"
1858" 0.7169067467 -0.2125748699 0.0000000000 -0.2627397053 0.0000000000\n"
1859" 0.2411464781 -0.8136091436 0.0000000000 -0.5627246555 0.0000000000\n"
1860" 0.0803414677 -0.2362413556 1.0000000000 -0.3691448735 1.0000000000\n"
1861" 3 2 2 1 1\n"
1862" 0.3730000000 1.0000000000\n"
1863"#","\n"
1864"P TZVP-GTH-q5 TZVP-GTH\n"
1865" 2\n"
1866" 3 0 1 5 3 3\n"
1867" 2.1996341190 -0.0704921557 0.0000000000 0.0000000000 0.0621639873 0.0000000000 0.0000000000\n"
1868" 1.6369289280 0.3969825114 0.0000000000 0.0000000000 -0.0400911635 0.0000000000 0.0000000000\n"
1869" 0.4970575820 -0.3512429748 0.0000000000 0.0000000000 -0.3338049853 0.0000000000 0.0000000000\n"
1870" 0.1944032900 -0.7297176188 1.0000000000 0.0000000000 -0.5118382938 1.0000000000 0.0000000000\n"
1871" 0.0699106580 -0.1421063788 0.0000000000 1.0000000000 -0.2909693679 0.0000000000 1.0000000000\n"
1872" 3 2 2 1 1\n"
1873" 0.3730000000 1.0000000000\n"
1874"#","\n"
1875"P TZV2P-GTH-q5 TZV2P-GTH\n"
1876" 2\n"
1877" 3 0 1 5 3 3\n"
1878" 2.1996341190 -0.0704921557 0.0000000000 0.0000000000 0.0621639873 0.0000000000 0.0000000000\n"
1879" 1.6369289280 0.3969825114 0.0000000000 0.0000000000 -0.0400911635 0.0000000000 0.0000000000\n"
1880" 0.4970575820 -0.3512429748 0.0000000000 0.0000000000 -0.3338049853 0.0000000000 0.0000000000\n"
1881" 0.1944032900 -0.7297176188 1.0000000000 0.0000000000 -0.5118382938 1.0000000000 0.0000000000\n"
1882" 0.0699106580 -0.1421063788 0.0000000000 1.0000000000 -0.2909693679 0.0000000000 1.0000000000\n"
1883" 3 2 2 2 2\n"
1884" 0.6520000000 1.0000000000 0.0000000000\n"
1885" 0.2160000000 0.0000000000 1.0000000000\n"
1886"#","\n"
1887"P QZV2P-GTH-q5 QZV2P-GTH\n"
1888" 2\n"
1889" 3 0 1 6 4 4\n"
1890" 3.7552135262 0.0219221916 0.0000000000 0.0000000000 0.0000000000 -0.0089770006 0.0000000000 0.0000000000 0.0000000000\n"
1891" 1.7140316717 -0.3135634867 0.0000000000 0.0000000000 0.0000000000 -0.0448447247 0.0000000000 0.0000000000 0.0000000000\n"
1892" 0.7438335270 0.0341312768 0.0000000000 0.0000000000 0.0000000000 0.1612574940 0.0000000000 0.0000000000 0.0000000000\n"
1893" 0.3280082762 0.6173246158 1.0000000000 0.0000000000 0.0000000000 0.4083320223 1.0000000000 0.0000000000 0.0000000000\n"
1894" 0.1366188473 0.4868790477 0.0000000000 1.0000000000 0.0000000000 0.4366765007 0.0000000000 1.0000000000 0.0000000000\n"
1895" 0.0534696687 0.0500106401 0.0000000000 0.0000000000 1.0000000000 0.1655268470 0.0000000000 0.0000000000 1.0000000000\n"
1896" 3 2 2 2 2\n"
1897" 0.6520000000 1.0000000000 0.0000000000\n"
1898" 0.2160000000 0.0000000000 1.0000000000\n"
1899"#","\n"
1900"P QZV3P-GTH-q5 QZV3P-GTH\n"
1901" 2\n"
1902" 3 0 1 6 4 4\n"
1903" 3.7552135262 0.0219221916 0.0000000000 0.0000000000 0.0000000000 -0.0089770006 0.0000000000 0.0000000000 0.0000000000\n"
1904" 1.7140316717 -0.3135634867 0.0000000000 0.0000000000 0.0000000000 -0.0448447247 0.0000000000 0.0000000000 0.0000000000\n"
1905" 0.7438335270 0.0341312768 0.0000000000 0.0000000000 0.0000000000 0.1612574940 0.0000000000 0.0000000000 0.0000000000\n"
1906" 0.3280082762 0.6173246158 1.0000000000 0.0000000000 0.0000000000 0.4083320223 1.0000000000 0.0000000000 0.0000000000\n"
1907" 0.1366188473 0.4868790477 0.0000000000 1.0000000000 0.0000000000 0.4366765007 0.0000000000 1.0000000000 0.0000000000\n"
1908" 0.0534696687 0.0500106401 0.0000000000 0.0000000000 1.0000000000 0.1655268470 0.0000000000 0.0000000000 1.0000000000\n"
1909" 3 2 2 3 3\n"
1910" 1.0360000000 1.0000000000 0.0000000000 0.0000000000\n"
1911" 0.4130000000 0.0000000000 1.0000000000 0.0000000000\n"
1912" 0.1650000000 0.0000000000 0.0000000000 1.0000000000\n"
1913"#","\n"
1914"P aug-DZVP-GTH-q5 aug-DZVP-GTH\n"
1915" 4\n"
1916" 3 0 1 4 2 2\n"
1917" 1.4960907993 0.3653124842 0.0000000000 0.0816205767 0.0000000000\n"
1918" 0.7169067467 -0.2125748699 0.0000000000 -0.2627397053 0.0000000000\n"
1919" 0.2411464781 -0.8136091436 0.0000000000 -0.5627246555 0.0000000000\n"
1920" 0.0803414677 -0.2362413556 1.0000000000 -0.3691448735 1.0000000000\n"
1921" 3 2 2 1 1\n"
1922" 0.3730000000 1.0000000000\n"
1923" 3 0 0 1 1\n"
1924" 0.04170000 1.0000000000\n"
1925" 3 1 1 1 1\n"
1926" 0.03430000 1.0000000000\n"
1927"#","\n"
1928"P aug-TZVP-GTH-q5 aug-TZVP-GTH\n"
1929" 4\n"
1930" 3 0 1 5 3 3\n"
1931" 2.1996341190 -0.0704921557 0.0000000000 0.0000000000 0.0621639873 0.0000000000 0.0000000000\n"
1932" 1.6369289280 0.3969825114 0.0000000000 0.0000000000 -0.0400911635 0.0000000000 0.0000000000\n"
1933" 0.4970575820 -0.3512429748 0.0000000000 0.0000000000 -0.3338049853 0.0000000000 0.0000000000\n"
1934" 0.1944032900 -0.7297176188 1.0000000000 0.0000000000 -0.5118382938 1.0000000000 0.0000000000\n"
1935" 0.0699106580 -0.1421063788 0.0000000000 1.0000000000 -0.2909693679 0.0000000000 1.0000000000\n"
1936" 3 2 2 1 1\n"
1937" 0.3730000000 1.0000000000\n"
1938" 3 0 0 1 1\n"
1939" 0.04090000 1.0000000000\n"
1940" 3 1 1 1 1\n"
1941" 0.03070000 1.0000000000\n"
1942"#","\n"
1943"P aug-TZV2P-GTH-q5 aug-TZV2P-GTH\n"
1944" 4\n"
1945" 3 0 1 5 3 3\n"
1946" 2.1996341190 -0.0704921557 0.0000000000 0.0000000000 0.0621639873 0.0000000000 0.0000000000\n"
1947" 1.6369289280 0.3969825114 0.0000000000 0.0000000000 -0.0400911635 0.0000000000 0.0000000000\n"
1948" 0.4970575820 -0.3512429748 0.0000000000 0.0000000000 -0.3338049853 0.0000000000 0.0000000000\n"
1949" 0.1944032900 -0.7297176188 1.0000000000 0.0000000000 -0.5118382938 1.0000000000 0.0000000000\n"
1950" 0.0699106580 -0.1421063788 0.0000000000 1.0000000000 -0.2909693679 0.0000000000 1.0000000000\n"
1951" 3 2 2 2 2\n"
1952" 0.6520000000 1.0000000000 0.0000000000\n"
1953" 0.2160000000 0.0000000000 1.0000000000\n"
1954" 3 0 0 1 1\n"
1955" 0.04090000 1.0000000000\n"
1956" 3 1 1 1 1\n"
1957" 0.03070000 1.0000000000\n"
1958"#","\n"
1959"P aug-QZV2P-GTH-q5 aug-QZV2P-GTH\n"
1960" 4\n"
1961" 3 0 1 6 4 4\n"
1962" 3.7552135262 0.0219221916 0.0000000000 0.0000000000 0.0000000000 -0.0089770006 0.0000000000 0.0000000000 0.0000000000\n"
1963" 1.7140316717 -0.3135634867 0.0000000000 0.0000000000 0.0000000000 -0.0448447247 0.0000000000 0.0000000000 0.0000000000\n"
1964" 0.7438335270 0.0341312768 0.0000000000 0.0000000000 0.0000000000 0.1612574940 0.0000000000 0.0000000000 0.0000000000\n"
1965" 0.3280082762 0.6173246158 1.0000000000 0.0000000000 0.0000000000 0.4083320223 1.0000000000 0.0000000000 0.0000000000\n"
1966" 0.1366188473 0.4868790477 0.0000000000 1.0000000000 0.0000000000 0.4366765007 0.0000000000 1.0000000000 0.0000000000\n"
1967" 0.0534696687 0.0500106401 0.0000000000 0.0000000000 1.0000000000 0.1655268470 0.0000000000 0.0000000000 1.0000000000\n"
1968" 3 2 2 2 2\n"
1969" 0.6520000000 1.0000000000 0.0000000000\n"
1970" 0.2160000000 0.0000000000 1.0000000000\n"
1971" 3 0 0 1 1\n"
1972" 0.03540000 1.0000000000\n"
1973" 3 1 1 1 1\n"
1974" 0.02720000 1.0000000000\n"
1975"#","\n"
1976"P aug-QZV3P-GTH-q5 aug-QZV3P-GTH\n"
1977" 4\n"
1978" 3 0 1 6 4 4\n"
1979" 3.7552135262 0.0219221916 0.0000000000 0.0000000000 0.0000000000 -0.0089770006 0.0000000000 0.0000000000 0.0000000000\n"
1980" 1.7140316717 -0.3135634867 0.0000000000 0.0000000000 0.0000000000 -0.0448447247 0.0000000000 0.0000000000 0.0000000000\n"
1981" 0.7438335270 0.0341312768 0.0000000000 0.0000000000 0.0000000000 0.1612574940 0.0000000000 0.0000000000 0.0000000000\n"
1982" 0.3280082762 0.6173246158 1.0000000000 0.0000000000 0.0000000000 0.4083320223 1.0000000000 0.0000000000 0.0000000000\n"
1983" 0.1366188473 0.4868790477 0.0000000000 1.0000000000 0.0000000000 0.4366765007 0.0000000000 1.0000000000 0.0000000000\n"
1984" 0.0534696687 0.0500106401 0.0000000000 0.0000000000 1.0000000000 0.1655268470 0.0000000000 0.0000000000 1.0000000000\n"
1985" 3 2 2 3 3\n"
1986" 1.0360000000 1.0000000000 0.0000000000 0.0000000000\n"
1987" 0.4130000000 0.0000000000 1.0000000000 0.0000000000\n"
1988" 0.1650000000 0.0000000000 0.0000000000 1.0000000000\n"
1989" 3 0 0 1 1\n"
1990" 0.03540000 1.0000000000\n"
1991" 3 1 1 1 1\n"
1992" 0.02720000 1.0000000000\n"
1993"#","\n"
1994"S SZV-GTH-q6 SZV-GTH\n"
1995" 1\n"
1996" 3 0 1 4 1 1\n"
1997" 1.8379629578 0.3832142891 0.1221358296\n"
1998" 1.0357730084 -0.1682257315 -0.2752002461\n"
1999" 0.3297969875 -0.8258488166 -0.5729054592\n"
2000" 0.1073535471 -0.2832758052 -0.3825468137\n"
2001"#","\n"
2002"S DZVP-GTH-q6 DZVP-GTH\n"
2003" 2\n"
2004" 3 0 1 4 2 2\n"
2005" 1.8379629578 0.3832142891 0.0000000000 0.1221358296 0.0000000000\n"
2006" 1.0357730084 -0.1682257315 0.0000000000 -0.2752002461 0.0000000000\n"
2007" 0.3297969875 -0.8258488166 0.0000000000 -0.5729054592 0.0000000000\n"
2008" 0.1073535471 -0.2832758052 1.0000000000 -0.3825468137 1.0000000000\n"
2009" 3 2 2 1 1\n"
2010" 0.4790000000 1.0000000000\n"
2011"#","\n"
2012"S TZVP-GTH-q6 TZVP-GTH\n"
2013" 2\n"
2014" 3 0 1 5 3 3\n"
2015" 2.9775941238 -0.0684133054 0.0000000000 0.0000000000 0.0522484808 0.0000000000 0.0000000000\n"
2016" 2.0190866819 0.4095039721 0.0000000000 0.0000000000 -0.0232128642 0.0000000000 0.0000000000\n"
2017" 0.6439412840 -0.3403336830 0.0000000000 0.0000000000 -0.3459753011 0.0000000000 0.0000000000\n"
2018" 0.2501987605 -0.7425154227 1.0000000000 0.0000000000 -0.5141620418 1.0000000000 0.0000000000\n"
2019" 0.0891650206 -0.1520225390 0.0000000000 1.0000000000 -0.2803769713 0.0000000000 1.0000000000\n"
2020" 3 2 2 1 1\n"
2021" 0.4790000000 1.0000000000\n"
2022"#","\n"
2023"S TZV2P-GTH-q6 TZV2P-GTH\n"
2024" 2\n"
2025" 3 0 1 5 3 3\n"
2026" 2.9775941238 -0.0684133054 0.0000000000 0.0000000000 0.0522484808 0.0000000000 0.0000000000\n"
2027" 2.0190866819 0.4095039721 0.0000000000 0.0000000000 -0.0232128642 0.0000000000 0.0000000000\n"
2028" 0.6439412840 -0.3403336830 0.0000000000 0.0000000000 -0.3459753011 0.0000000000 0.0000000000\n"
2029" 0.2501987605 -0.7425154227 1.0000000000 0.0000000000 -0.5141620418 1.0000000000 0.0000000000\n"
2030" 0.0891650206 -0.1520225390 0.0000000000 1.0000000000 -0.2803769713 0.0000000000 1.0000000000\n"
2031" 3 2 2 2 2\n"
2032" 0.8190000000 1.0000000000 0.0000000000\n"
2033" 0.2690000000 0.0000000000 1.0000000000\n"
2034"#","\n"
2035"S QZV2P-GTH-q6 QZV2P-GTH\n"
2036" 2\n"
2037" 3 0 1 6 4 4\n"
2038" 4.2573596528 0.0340198790 0.0000000000 0.0000000000 0.0000000000 -0.0139384068 0.0000000000 0.0000000000 0.0000000000\n"
2039" 2.1309107097 -0.3349229077 0.0000000000 0.0000000000 0.0000000000 -0.0449848970 0.0000000000 0.0000000000 0.0000000000\n"
2040" 0.9293415064 0.0316794871 0.0000000000 0.0000000000 0.0000000000 0.1762303153 0.0000000000 0.0000000000 0.0000000000\n"
2041" 0.4136351121 0.6234596988 1.0000000000 0.0000000000 0.0000000000 0.4188613693 1.0000000000 0.0000000000 0.0000000000\n"
2042" 0.1723749938 0.4869763921 0.0000000000 1.0000000000 0.0000000000 0.4242144008 0.0000000000 1.0000000000 0.0000000000\n"
2043" 0.0673747361 0.0524674807 0.0000000000 0.0000000000 1.0000000000 0.1544985250 0.0000000000 0.0000000000 1.0000000000\n"
2044" 3 2 2 2 2\n"
2045" 0.8190000000 1.0000000000 0.0000000000\n"
2046" 0.2690000000 0.0000000000 1.0000000000\n"
2047"#","\n"
2048"S QZV3P-GTH-q6 QZV3P-GTH\n"
2049" 2\n"
2050" 3 0 1 6 4 4\n"
2051" 4.2573596528 0.0340198790 0.0000000000 0.0000000000 0.0000000000 -0.0139384068 0.0000000000 0.0000000000 0.0000000000\n"
2052" 2.1309107097 -0.3349229077 0.0000000000 0.0000000000 0.0000000000 -0.0449848970 0.0000000000 0.0000000000 0.0000000000\n"
2053" 0.9293415064 0.0316794871 0.0000000000 0.0000000000 0.0000000000 0.1762303153 0.0000000000 0.0000000000 0.0000000000\n"
2054" 0.4136351121 0.6234596988 1.0000000000 0.0000000000 0.0000000000 0.4188613693 1.0000000000 0.0000000000 0.0000000000\n"
2055" 0.1723749938 0.4869763921 0.0000000000 1.0000000000 0.0000000000 0.4242144008 0.0000000000 1.0000000000 0.0000000000\n"
2056" 0.0673747361 0.0524674807 0.0000000000 0.0000000000 1.0000000000 0.1544985250 0.0000000000 0.0000000000 1.0000000000\n"
2057" 3 2 2 3 3\n"
2058" 1.2500000000 1.0000000000 0.0000000000 0.0000000000\n"
2059" 0.5040000000 0.0000000000 1.0000000000 0.0000000000\n"
2060" 0.2030000000 0.0000000000 0.0000000000 1.0000000000\n"
2061"#","\n"
2062"S aug-DZVP-GTH-q6 aug-DZVP-GTH\n"
2063" 4\n"
2064" 3 0 1 4 2 2\n"
2065" 1.8379629578 0.3832142891 0.0000000000 0.1221358296 0.0000000000\n"
2066" 1.0357730084 -0.1682257315 0.0000000000 -0.2752002461 0.0000000000\n"
2067" 0.3297969875 -0.8258488166 0.0000000000 -0.5729054592 0.0000000000\n"
2068" 0.1073535471 -0.2832758052 1.0000000000 -0.3825468137 1.0000000000\n"
2069" 3 2 2 1 1\n"
2070" 0.4790000000 1.0000000000\n"
2071" 3 0 0 1 1\n"
2072" 0.05070000 1.0000000000\n"
2073" 3 1 1 1 1 \n"
2074" 0.03990000 1.0000000000\n"
2075"#","\n"
2076"S aug-TZVP-GTH-q6 aug-TZVP-GTH\n"
2077" 4\n"
2078" 3 0 1 5 3 3\n"
2079" 2.9775941238 -0.0684133054 0.0000000000 0.0000000000 0.0522484808 0.0000000000 0.0000000000\n"
2080" 2.0190866819 0.4095039721 0.0000000000 0.0000000000 -0.0232128642 0.0000000000 0.0000000000\n"
2081" 0.6439412840 -0.3403336830 0.0000000000 0.0000000000 -0.3459753011 0.0000000000 0.0000000000\n"
2082" 0.2501987605 -0.7425154227 1.0000000000 0.0000000000 -0.5141620418 1.0000000000 0.0000000000\n"
2083" 0.0891650206 -0.1520225390 0.0000000000 1.0000000000 -0.2803769713 0.0000000000 1.0000000000\n"
2084" 3 2 2 1 1\n"
2085" 0.4790000000 1.0000000000\n"
2086" 3 0 0 1 1\n"
2087" 0.04970000 1.0000000000\n"
2088" 3 1 1 1 1\n"
2089" 0.03510000 1.0000000000\n"
2090"#","\n"
2091"S aug-TZV2P-GTH-q6 aug-TZV2P-GTH\n"
2092" 4\n"
2093" 3 0 1 5 3 3\n"
2094" 2.9775941238 -0.0684133054 0.0000000000 0.0000000000 0.0522484808 0.0000000000 0.0000000000\n"
2095" 2.0190866819 0.4095039721 0.0000000000 0.0000000000 -0.0232128642 0.0000000000 0.0000000000\n"
2096" 0.6439412840 -0.3403336830 0.0000000000 0.0000000000 -0.3459753011 0.0000000000 0.0000000000\n"
2097" 0.2501987605 -0.7425154227 1.0000000000 0.0000000000 -0.5141620418 1.0000000000 0.0000000000\n"
2098" 0.0891650206 -0.1520225390 0.0000000000 1.0000000000 -0.2803769713 0.0000000000 1.0000000000\n"
2099" 3 2 2 2 2\n"
2100" 0.8190000000 1.0000000000 0.0000000000\n"
2101" 0.2690000000 0.0000000000 1.0000000000\n"
2102" 3 0 0 1 1\n"
2103" 0.04970000 1.0000000000\n"
2104" 3 1 1 1 1\n"
2105" 0.03510000 1.0000000000\n"
2106"#","\n"
2107"S aug-QZV2P-GTH-q6 aug-QZV2P-GTH\n"
2108" 4\n"
2109" 3 0 1 6 4 4\n"
2110" 4.2573596528 0.0340198790 0.0000000000 0.0000000000 0.0000000000 -0.0139384068 0.0000000000 0.0000000000 0.0000000000\n"
2111" 2.1309107097 -0.3349229077 0.0000000000 0.0000000000 0.0000000000 -0.0449848970 0.0000000000 0.0000000000 0.0000000000\n"
2112" 0.9293415064 0.0316794871 0.0000000000 0.0000000000 0.0000000000 0.1762303153 0.0000000000 0.0000000000 0.0000000000\n"
2113" 0.4136351121 0.6234596988 1.0000000000 0.0000000000 0.0000000000 0.4188613693 1.0000000000 0.0000000000 0.0000000000\n"
2114" 0.1723749938 0.4869763921 0.0000000000 1.0000000000 0.0000000000 0.4242144008 0.0000000000 1.0000000000 0.0000000000\n"
2115" 0.0673747361 0.0524674807 0.0000000000 0.0000000000 1.0000000000 0.1544985250 0.0000000000 0.0000000000 1.0000000000\n"
2116" 3 2 2 2 2\n"
2117" 0.8190000000 1.0000000000 0.0000000000\n"
2118" 0.2690000000 0.0000000000 1.0000000000\n"
2119" 3 0 0 1 1\n"
2120" 0.04280000 1.0000000000\n"
2121" 3 1 1 1 1\n"
2122" 0.03170000 1.0000000000\n"
2123"#","\n"
2124"S aug-QZV3P-GTH-q6 aug-QZV3P-GTH\n"
2125" 4\n"
2126" 3 0 1 6 4 4\n"
2127" 4.2573596528 0.0340198790 0.0000000000 0.0000000000 0.0000000000 -0.0139384068 0.0000000000 0.0000000000 0.0000000000\n"
2128" 2.1309107097 -0.3349229077 0.0000000000 0.0000000000 0.0000000000 -0.0449848970 0.0000000000 0.0000000000 0.0000000000\n"
2129" 0.9293415064 0.0316794871 0.0000000000 0.0000000000 0.0000000000 0.1762303153 0.0000000000 0.0000000000 0.0000000000\n"
2130" 0.4136351121 0.6234596988 1.0000000000 0.0000000000 0.0000000000 0.4188613693 1.0000000000 0.0000000000 0.0000000000\n"
2131" 0.1723749938 0.4869763921 0.0000000000 1.0000000000 0.0000000000 0.4242144008 0.0000000000 1.0000000000 0.0000000000\n"
2132" 0.0673747361 0.0524674807 0.0000000000 0.0000000000 1.0000000000 0.1544985250 0.0000000000 0.0000000000 1.0000000000\n"
2133" 3 2 2 3 3\n"
2134" 1.2500000000 1.0000000000 0.0000000000 0.0000000000\n"
2135" 0.5040000000 0.0000000000 1.0000000000 0.0000000000\n"
2136" 0.2030000000 0.0000000000 0.0000000000 1.0000000000\n"
2137" 3 0 0 1 1\n"
2138" 0.04280000 1.0000000000\n"
2139" 3 1 1 1 1\n"
2140" 0.03170000 1.0000000000\n"
2141"#","\n"
2142"Cl SZV-GTH-q7 SZV-GTH\n"
2143" 1\n"
2144" 3 0 1 4 1 1\n"
2145" 2.2321759828 0.3787844947 0.1555385229\n"
2146" 1.3787736290 -0.1239714599 -0.2931741896\n"
2147" 0.4264904045 -0.8298226129 -0.5781097351\n"
2148" 0.1366670312 -0.3175023225 -0.3901110870\n"
2149"#","\n"
2150"Cl DZVP-GTH-q7 DZVP-GTH\n"
2151" 2\n"
2152" 3 0 1 4 2 2\n"
2153" 2.2321759828 0.3787844947 0.0000000000 0.1555385229 0.0000000000\n"
2154" 1.3787736290 -0.1239714599 0.0000000000 -0.2931741896 0.0000000000\n"
2155" 0.4264904045 -0.8298226129 0.0000000000 -0.5781097351 0.0000000000\n"
2156" 0.1366670312 -0.3175023225 1.0000000000 -0.3901110870 1.0000000000\n"
2157" 3 2 2 1 1\n"
2158" 0.6000000000 1.0000000000\n"
2159"#","\n"
2160"Cl TZVP-GTH-q7 TZVP-GTH\n"
2161" 2\n"
2162" 3 0 1 5 3 3\n"
2163" 3.4404677360 -0.0962885076 0.0000000000 0.0000000000 0.0674841325 0.0000000000 0.0000000000\n"
2164" 2.4424740830 0.4481503162 0.0000000000 0.0000000000 -0.0388856129 0.0000000000 0.0000000000\n"
2165" 0.7848604567 -0.3507929510 0.0000000000 0.0000000000 -0.3633699842 0.0000000000 0.0000000000\n"
2166" 0.3048755969 -0.7403677289 1.0000000000 0.0000000000 -0.5101595423 1.0000000000 0.0000000000\n"
2167" 0.1084717366 -0.1528159301 0.0000000000 1.0000000000 -0.2654035575 0.0000000000 1.0000000000\n"
2168" 3 2 2 1 1\n"
2169" 0.6000000000 1.0000000000\n"
2170"#","\n"
2171"Cl TZV2P-GTH-q7 TZV2P-GTH\n"
2172" 2\n"
2173" 3 0 1 5 3 3\n"
2174" 3.4404677360 -0.0962885076 0.0000000000 0.0000000000 0.0674841325 0.0000000000 0.0000000000\n"
2175" 2.4424740830 0.4481503162 0.0000000000 0.0000000000 -0.0388856129 0.0000000000 0.0000000000\n"
2176" 0.7848604567 -0.3507929510 0.0000000000 0.0000000000 -0.3633699842 0.0000000000 0.0000000000\n"
2177" 0.3048755969 -0.7403677289 1.0000000000 0.0000000000 -0.5101595423 1.0000000000 0.0000000000\n"
2178" 0.1084717366 -0.1528159301 0.0000000000 1.0000000000 -0.2654035575 0.0000000000 1.0000000000\n"
2179" 3 2 2 2 2\n"
2180" 1.0460000000 1.0000000000 0.0000000000\n"
2181" 0.3440000000 0.0000000000 1.0000000000\n"
2182"#","\n"
2183"Cl QZV2P-GTH-q7 QZV2P-GTH\n"
2184" 2\n"
2185" 3 0 1 6 4 4\n"
2186" 4.7390692540 0.0460145547 0.0000000000 0.0000000000 0.0000000000 -0.0184287984 0.0000000000 0.0000000000 0.0000000000\n"
2187" 2.5664506160 -0.3573237652 0.0000000000 0.0000000000 0.0000000000 -0.0428888823 0.0000000000 0.0000000000 0.0000000000\n"
2188" 1.1168239570 0.0404814650 0.0000000000 0.0000000000 0.0000000000 0.1933392026 0.0000000000 0.0000000000 0.0000000000\n"
2189" 0.5007318360 0.6290842339 1.0000000000 0.0000000000 0.0000000000 0.4262968544 1.0000000000 0.0000000000 0.0000000000\n"
2190" 0.2092217935 0.4804996350 0.0000000000 1.0000000000 0.0000000000 0.4107393400 0.0000000000 1.0000000000 0.0000000000\n"
2191" 0.0818080455 0.0532567628 0.0000000000 0.0000000000 1.0000000000 0.1444014999 0.0000000000 0.0000000000 1.0000000000\n"
2192" 3 2 2 2 2\n"
2193" 1.0460000000 1.0000000000 0.0000000000\n"
2194" 0.3440000000 0.0000000000 1.0000000000\n"
2195"#","\n"
2196"Cl QZV3P-GTH-q7 QZV3P-GTH\n"
2197" 2\n"
2198" 3 0 1 6 4 4\n"
2199" 4.7390692540 0.0460145547 0.0000000000 0.0000000000 0.0000000000 -0.0184287984 0.0000000000 0.0000000000 0.0000000000\n"
2200" 2.5664506160 -0.3573237652 0.0000000000 0.0000000000 0.0000000000 -0.0428888823 0.0000000000 0.0000000000 0.0000000000\n"
2201" 1.1168239570 0.0404814650 0.0000000000 0.0000000000 0.0000000000 0.1933392026 0.0000000000 0.0000000000 0.0000000000\n"
2202" 0.5007318360 0.6290842339 1.0000000000 0.0000000000 0.0000000000 0.4262968544 1.0000000000 0.0000000000 0.0000000000\n"
2203" 0.2092217935 0.4804996350 0.0000000000 1.0000000000 0.0000000000 0.4107393400 0.0000000000 1.0000000000 0.0000000000\n"
2204" 0.0818080455 0.0532567628 0.0000000000 0.0000000000 1.0000000000 0.1444014999 0.0000000000 0.0000000000 1.0000000000\n"
2205" 3 2 2 3 3\n"
2206" 1.5510000000 1.0000000000 0.0000000000 0.0000000000\n"
2207" 0.6280000000 0.0000000000 1.0000000000 0.0000000000\n"
2208" 0.2540000000 0.0000000000 0.0000000000 1.0000000000\n"
2209"#","\n"
2210"Cl aug-DZVP-GTH-q7 aug-DZVP-GTH\n"
2211" 4\n"
2212" 3 0 1 4 2 2\n"
2213" 2.2321759828 0.3787844947 0.0000000000 0.1555385229 0.0000000000\n"
2214" 1.3787736290 -0.1239714599 0.0000000000 -0.2931741896 0.0000000000\n"
2215" 0.4264904045 -0.8298226129 0.0000000000 -0.5781097351 0.0000000000\n"
2216" 0.1366670312 -0.3175023225 1.0000000000 -0.3901110870 1.0000000000\n"
2217" 3 2 2 1 1\n"
2218" 0.6000000000 1.0000000000\n"
2219" 3 0 0 1 1\n"
2220" 0.06080000 1.0000000000\n"
2221" 3 1 1 1 1\n"
2222" 0.04660000 1.0000000000\n"
2223"#","\n"
2224"Cl aug-TZVP-GTH-q7 aug-TZVP-GTH\n"
2225" 4\n"
2226" 3 0 1 5 3 3\n"
2227" 3.4404677360 -0.0962885076 0.0000000000 0.0000000000 0.0674841325 0.0000000000 0.0000000000\n"
2228" 2.4424740830 0.4481503162 0.0000000000 0.0000000000 -0.0388856129 0.0000000000 0.0000000000\n"
2229" 0.7848604567 -0.3507929510 0.0000000000 0.0000000000 -0.3633699842 0.0000000000 0.0000000000\n"
2230" 0.3048755969 -0.7403677289 1.0000000000 0.0000000000 -0.5101595423 1.0000000000 0.0000000000\n"
2231" 0.1084717366 -0.1528159301 0.0000000000 1.0000000000 -0.2654035575 0.0000000000 1.0000000000\n"
2232" 3 2 2 1 1\n"
2233" 0.6000000000 1.0000000000\n"
2234" 3 0 0 1 1\n"
2235" 0.05910000 1.0000000000\n"
2236" 3 1 1 1 1\n"
2237" 0.04190000 1.0000000000\n"
2238"#","\n"
2239"Cl aug-TZV2P-GTH-q7 aug-TZV2P-GTH\n"
2240" 4\n"
2241" 3 0 1 5 3 3\n"
2242" 3.4404677360 -0.0962885076 0.0000000000 0.0000000000 0.0674841325 0.0000000000 0.0000000000\n"
2243" 2.4424740830 0.4481503162 0.0000000000 0.0000000000 -0.0388856129 0.0000000000 0.0000000000\n"
2244" 0.7848604567 -0.3507929510 0.0000000000 0.0000000000 -0.3633699842 0.0000000000 0.0000000000\n"
2245" 0.3048755969 -0.7403677289 1.0000000000 0.0000000000 -0.5101595423 1.0000000000 0.0000000000\n"
2246" 0.1084717366 -0.1528159301 0.0000000000 1.0000000000 -0.2654035575 0.0000000000 1.0000000000\n"
2247" 3 2 2 2 2\n"
2248" 1.0460000000 1.0000000000 0.0000000000\n"
2249" 0.3440000000 0.0000000000 1.0000000000\n"
2250" 3 0 0 1 1\n"
2251" 0.05910000 1.0000000000\n"
2252" 3 1 1 1 1\n"
2253" 0.04190000 1.0000000000\n"
2254"#","\n"
2255"Cl aug-QZV2P-GTH-q7 aug-QZV2P-GTH\n"
2256" 4\n"
2257" 3 0 1 6 4 4\n"
2258" 4.7390692540 0.0460145547 0.0000000000 0.0000000000 0.0000000000 -0.0184287984 0.0000000000 0.0000000000 0.0000000000\n"
2259" 2.5664506160 -0.3573237652 0.0000000000 0.0000000000 0.0000000000 -0.0428888823 0.0000000000 0.0000000000 0.0000000000\n"
2260" 1.1168239570 0.0404814650 0.0000000000 0.0000000000 0.0000000000 0.1933392026 0.0000000000 0.0000000000 0.0000000000\n"
2261" 0.5007318360 0.6290842339 1.0000000000 0.0000000000 0.0000000000 0.4262968544 1.0000000000 0.0000000000 0.0000000000\n"
2262" 0.2092217935 0.4804996350 0.0000000000 1.0000000000 0.0000000000 0.4107393400 0.0000000000 1.0000000000 0.0000000000\n"
2263" 0.0818080455 0.0532567628 0.0000000000 0.0000000000 1.0000000000 0.1444014999 0.0000000000 0.0000000000 1.0000000000\n"
2264" 3 2 2 2 2\n"
2265" 1.0460000000 1.0000000000 0.0000000000\n"
2266" 0.3440000000 0.0000000000 1.0000000000\n"
2267" 3 0 0 1 1\n"
2268" 0.05190000 1.0000000000\n"
2269" 3 1 1 1 1\n"
2270" 0.03760000 1.0000000000\n"
2271"#","\n"
2272"Cl aug-QZV3P-GTH-q7 aug-QZV3P-GTH\n"
2273" 4\n"
2274" 3 0 1 6 4 4\n"
2275" 4.7390692540 0.0460145547 0.0000000000 0.0000000000 0.0000000000 -0.0184287984 0.0000000000 0.0000000000 0.0000000000\n"
2276" 2.5664506160 -0.3573237652 0.0000000000 0.0000000000 0.0000000000 -0.0428888823 0.0000000000 0.0000000000 0.0000000000\n"
2277" 1.1168239570 0.0404814650 0.0000000000 0.0000000000 0.0000000000 0.1933392026 0.0000000000 0.0000000000 0.0000000000\n"
2278" 0.5007318360 0.6290842339 1.0000000000 0.0000000000 0.0000000000 0.4262968544 1.0000000000 0.0000000000 0.0000000000\n"
2279" 0.2092217935 0.4804996350 0.0000000000 1.0000000000 0.0000000000 0.4107393400 0.0000000000 1.0000000000 0.0000000000\n"
2280" 0.0818080455 0.0532567628 0.0000000000 0.0000000000 1.0000000000 0.1444014999 0.0000000000 0.0000000000 1.0000000000\n"
2281" 3 2 2 3 3\n"
2282" 1.5510000000 1.0000000000 0.0000000000 0.0000000000\n"
2283" 0.6280000000 0.0000000000 1.0000000000 0.0000000000\n"
2284" 0.2540000000 0.0000000000 0.0000000000 1.0000000000\n"
2285" 3 0 0 1 1\n"
2286" 0.05190000 1.0000000000\n"
2287" 3 1 1 1 1\n"
2288" 0.03760000 1.0000000000\n"
2289"#","\n"
2290"Ar SZV-GTH-q8 SZV-GTH\n"
2291" 1\n"
2292" 3 0 1 4 1 1\n"
2293" 2.6436341408 0.3737594656 0.1735190188\n"
2294" 1.6948954231 -0.0996534757 -0.3100915552\n"
2295" 0.5231109619 -0.8315200024 -0.5807564917\n"
2296" 0.1663306660 -0.3339930084 -0.3879330451\n"
2297"#","\n"
2298"Ar DZVP-GTH-q8 DZVP-GTH\n"
2299" 2\n"
2300" 3 0 1 4 2 2\n"
2301" 2.6436341408 0.3737594656 0.0000000000 0.1735190188 0.0000000000\n"
2302" 1.6948954231 -0.0996534757 0.0000000000 -0.3100915552 0.0000000000\n"
2303" 0.5231109619 -0.8315200024 0.0000000000 -0.5807564917 0.0000000000\n"
2304" 0.1663306660 -0.3339930084 1.0000000000 -0.3879330451 1.0000000000\n"
2305" 3 2 2 1 1\n"
2306" 0.7380000000 1.0000000000\n"
2307"#","\n"
2308"Ar TZVP-GTH-q8 TZVP-GTH\n"
2309" 2\n"
2310" 3 0 1 5 3 3\n"
2311" 3.7933849461 -0.1618280953 0.0000000000 0.0000000000 0.0960404756 0.0000000000 0.0000000000\n"
2312" 2.9269187333 0.5221781637 0.0000000000 0.0000000000 -0.0704844503 0.0000000000 0.0000000000\n"
2313" 0.9316537640 -0.3632163241 0.0000000000 0.0000000000 -0.3787707182 0.0000000000 0.0000000000\n"
2314" 0.3621005146 -0.7358329756 1.0000000000 0.0000000000 -0.5047539917 1.0000000000 0.0000000000\n"
2315" 0.1287409102 -0.1523090856 0.0000000000 1.0000000000 -0.2525011145 0.0000000000 1.0000000000\n"
2316" 3 2 2 1 1\n"
2317" 0.7380000000 1.0000000000\n"
2318"#","\n"
2319"Ar TZV2P-GTH-q8 TZV2P-GTH\n"
2320" 2\n"
2321" 3 0 1 5 3 3\n"
2322" 3.7933849461 -0.1618280953 0.0000000000 0.0000000000 0.0960404756 0.0000000000 0.0000000000\n"
2323" 2.9269187333 0.5221781637 0.0000000000 0.0000000000 -0.0704844503 0.0000000000 0.0000000000\n"
2324" 0.9316537640 -0.3632163241 0.0000000000 0.0000000000 -0.3787707182 0.0000000000 0.0000000000\n"
2325" 0.3621005146 -0.7358329756 1.0000000000 0.0000000000 -0.5047539917 1.0000000000 0.0000000000\n"
2326" 0.1287409102 -0.1523090856 0.0000000000 1.0000000000 -0.2525011145 0.0000000000 1.0000000000\n"
2327" 3 2 2 2 2\n"
2328" 1.2540000000 1.0000000000 0.0000000000\n"
2329" 0.4100000000 0.0000000000 1.0000000000\n"
2330"#","\n"
2331"Ar QZV2P-GTH-q8 QZV2P-GTH\n"
2332" 2\n"
2333" 3 0 1 6 4 4\n"
2334" 5.2342384840 0.0594091942 0.0000000000 0.0000000000 0.0000000000 -0.0218235164 0.0000000000 0.0000000000 0.0000000000\n"
2335" 3.0293732626 -0.3808584814 0.0000000000 0.0000000000 0.0000000000 -0.0397609427 0.0000000000 0.0000000000 0.0000000000\n"
2336" 1.3121914980 0.0527214554 0.0000000000 0.0000000000 0.0000000000 0.2096390562 0.0000000000 0.0000000000 0.0000000000\n"
2337" 0.5914580696 0.6333744672 1.0000000000 0.0000000000 0.0000000000 0.4311838680 1.0000000000 0.0000000000 0.0000000000\n"
2338" 0.2478147218 0.4727819382 0.0000000000 1.0000000000 0.0000000000 0.3981434659 0.0000000000 1.0000000000 0.0000000000\n"
2339" 0.0969644987 0.0535029998 0.0000000000 0.0000000000 1.0000000000 0.1359825259 0.0000000000 0.0000000000 1.0000000000\n"
2340" 3 2 2 2 2\n"
2341" 1.2540000000 1.0000000000 0.0000000000\n"
2342" 0.4100000000 0.0000000000 1.0000000000\n"
2343"#","\n"
2344"Ar QZV3P-GTH-q8 QZV3P-GTH\n"
2345" 2\n"
2346" 3 0 1 6 4 4\n"
2347" 5.2342384840 0.0594091942 0.0000000000 0.0000000000 0.0000000000 -0.0218235164 0.0000000000 0.0000000000 0.0000000000\n"
2348" 3.0293732626 -0.3808584814 0.0000000000 0.0000000000 0.0000000000 -0.0397609427 0.0000000000 0.0000000000 0.0000000000\n"
2349" 1.3121914980 0.0527214554 0.0000000000 0.0000000000 0.0000000000 0.2096390562 0.0000000000 0.0000000000 0.0000000000\n"
2350" 0.5914580696 0.6333744672 1.0000000000 0.0000000000 0.0000000000 0.4311838680 1.0000000000 0.0000000000 0.0000000000\n"
2351" 0.2478147218 0.4727819382 0.0000000000 1.0000000000 0.0000000000 0.3981434659 0.0000000000 1.0000000000 0.0000000000\n"
2352" 0.0969644987 0.0535029998 0.0000000000 0.0000000000 1.0000000000 0.1359825259 0.0000000000 0.0000000000 1.0000000000\n"
2353" 3 2 2 3 3\n"
2354" 1.8730000000 1.0000000000 0.0000000000 0.0000000000\n"
2355" 0.7630000000 0.0000000000 1.0000000000 0.0000000000\n"
2356" 0.3110000000 0.0000000000 0.0000000000 1.0000000000\n"
2357"#","\n"
2358"W DZVP-GTH-q14 DZVP-GTH\n"
2359" 3\n"
2360" 5 0 0 4 3\n"
2361" 3.17833961 -0.59405642 0.16293727 0.00000000\n"
2362" 1.54892965 0.66388244 -0.20717075 0.00000000\n"
2363" 0.65507630 0.77725275 -0.51725023 0.00000000\n"
2364" 0.08615458 0.02093277 1.15557619 1.00000000\n"
2365" 5 1 1 4 2\n"
2366" 2.98630221 0.05620580 0.00000000\n"
2367" 1.21317676 -0.52492834 0.00000000\n"
2368" 0.58573989 -0.46305304 0.00000000\n"
2369" 0.26423237 -0.11761739 1.00000000\n"
2370" 5 2 2 4 2\n"
2371" 3.98958029 0.05242902 0.00000000\n"
2372" 1.11283726 -0.37652293 0.00000000\n"
2373" 0.39364968 -0.52218358 0.00000000\n"
2374" 0.12396511 -0.33923705 1.00000000\n"
2375"#"};
cp2k_gth
char * cp2k_gth[156]
Definition cp2k_gth-basis.c:354
gth_keys
char * gth_keys[156]
Definition cp2k_gth-basis.c:197
gth_elem
char * gth_elem[156]
Definition cp2k_gth-basis.c:40
global.h
Global variable declarations Global convenience function declarations Global data structure defin...