1
% emacs should use -*- KeyVal -*- mode
6
Ne [ 0.00000000 0.00000000 0.00000000 ]
10
basis<GaussianBasisSet>: (
15
abasis<GaussianBasisSet>: (
36
integrals<IntegralCints>: ()
41
integrals<IntegralCints>: ()
42
guess_wavefunction<HCoreWfn>: (
45
integrals<IntegralCints>: ()
51
basis:neon:"K32s15f": [
53
{exp coef:0} = { 0.005 1.0 }
56
{exp coef:0} = { 0.00866025403784439 1.0 }
59
{exp coef:0} = { 0.015 1.0 }
62
{exp coef:0} = { 0.0259807621135332 1.0 }
65
{exp coef:0} = { 0.045 1.0 }
68
{exp coef:0} = { 0.0779422863405995 1.0 }
71
{exp coef:0} = { 0.135 1.0 }
74
{exp coef:0} = { 0.233826859021798 1.0 }
77
{exp coef:0} = { 0.405 1.0 }
80
{exp coef:0} = { 0.701480577065395 1.0 }
83
{exp coef:0} = { 1.215 1.0 }
86
{exp coef:0} = { 2.10444173119618 1.0 }
89
{exp coef:0} = { 3.645 1.0 }
92
{exp coef:0} = { 6.31332519358855 1.0 }
95
{exp coef:0} = { 10.935 1.0 }
98
{exp coef:0} = { 18.9399755807657 1.0 }
101
{exp coef:0} = { 32.805 1.0 }
104
{exp coef:0} = { 56.819926742297 1.0 }
107
{exp coef:0} = { 98.4149999999999 1.0 }
110
{exp coef:0} = { 170.459780226891 1.0 }
113
{exp coef:0} = { 295.245 1.0 }
116
{exp coef:0} = { 511.379340680673 1.0 }
119
{exp coef:0} = { 885.734999999999 1.0 }
122
{exp coef:0} = { 1534.13802204202 1.0 }
125
{exp coef:0} = { 2657.205 1.0 }
128
{exp coef:0} = { 4602.41406612605 1.0 }
131
{exp coef:0} = { 7971.61499999999 1.0 }
134
{exp coef:0} = { 13807.2421983782 1.0 }
137
{exp coef:0} = { 23914.845 1.0 }
140
{exp coef:0} = { 41421.7265951345 1.0 }
143
{exp coef:0} = { 71744.5349999999 1.0 }
146
{exp coef:0} = { 124265.179785403 1.0 }
149
{exp coef:0} = { 0.005 1.0 }
152
{exp coef:0} = { 0.00866025403784439 1.0 }
155
{exp coef:0} = { 0.015 1.0 }
158
{exp coef:0} = { 0.0259807621135332 1.0 }
161
{exp coef:0} = { 0.045 1.0 }
164
{exp coef:0} = { 0.0779422863405995 1.0 }
167
{exp coef:0} = { 0.135 1.0 }
170
{exp coef:0} = { 0.233826859021798 1.0 }
173
{exp coef:0} = { 0.405 1.0 }
176
{exp coef:0} = { 0.701480577065395 1.0 }
179
{exp coef:0} = { 1.215 1.0 }
182
{exp coef:0} = { 2.10444173119618 1.0 }
185
{exp coef:0} = { 3.645 1.0 }
188
{exp coef:0} = { 6.31332519358855 1.0 }
191
{exp coef:0} = { 10.935 1.0 }
194
{exp coef:0} = { 18.9399755807657 1.0 }
197
{exp coef:0} = { 32.805 1.0 }
200
{exp coef:0} = { 56.819926742297 1.0 }
203
{exp coef:0} = { 98.4149999999999 1.0 }
206
{exp coef:0} = { 170.459780226891 1.0 }
209
{exp coef:0} = { 295.245 1.0 }
212
{exp coef:0} = { 511.379340680673 1.0 }
215
{exp coef:0} = { 885.734999999999 1.0 }
218
{exp coef:0} = { 1534.13802204202 1.0 }
221
{exp coef:0} = { 0.021 1.0 }
224
{exp coef:0} = { 0.0363730669589464 1.0 }
227
{exp coef:0} = { 0.063 1.0 }
230
{exp coef:0} = { 0.109119200876839 1.0 }
233
{exp coef:0} = { 0.189 1.0 }
236
{exp coef:0} = { 0.327357602630518 1.0 }
239
{exp coef:0} = { 0.567 1.0 }
242
{exp coef:0} = { 0.982072807891553 1.0 }
245
{exp coef:0} = { 1.701 1.0 }
248
{exp coef:0} = { 2.94621842367466 1.0 }
251
{exp coef:0} = { 5.103 1.0 }
254
{exp coef:0} = { 8.83865527102397 1.0 }
257
{exp coef:0} = { 15.309 1.0 }
260
{exp coef:0} = { 26.5159658130719 1.0 }
263
{exp coef:0} = { 45.927 1.0 }
266
{exp coef:0} = { 79.5478974392158 1.0 }
269
{exp coef:0} = { 137.781 1.0 }
272
{exp coef:0} = { 238.643692317647 1.0 }
275
{exp coef:0} = { 0.0467653718043597 1.0 }
278
{exp coef:0} = { 0.081 1.0 }
281
{exp coef:0} = { 0.140296115413079 1.0 }
284
{exp coef:0} = { 0.243 1.0 }
287
{exp coef:0} = { 0.420888346239237 1.0 }
290
{exp coef:0} = { 0.729 1.0 }
293
{exp coef:0} = { 1.26266503871771 1.0 }
296
{exp coef:0} = { 2.187 1.0 }
299
{exp coef:0} = { 3.78799511615313 1.0 }
302
{exp coef:0} = { 6.561 1.0 }
305
{exp coef:0} = { 11.3639853484594 1.0 }
308
{exp coef:0} = { 19.683 1.0 }
311
{exp coef:0} = { 34.0919560453782 1.0 }
314
{exp coef:0} = { 59.0489999999999 1.0 }
317
{exp coef:0} = { 102.275868136135 1.0 }