%chk=000186901.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186901

0 1
C 0.724263 0.271439 -0.000073
C -0.724279 0.271434 -0.000006
C 1.441264 -0.956989 -0.000133
C -1.441271 -0.957000 0.000009
C 1.428482 1.508507 -0.000082
C -1.428507 1.508497 0.000044
C 2.855345 -0.936141 -0.000207
C -2.855352 -0.936162 0.000067
C 0.677558 -2.191299 -0.000107
C -0.677555 -2.191304 -0.000036
C 0.676871 2.751360 -0.000028
C -0.676906 2.751355 0.000030
C 2.830913 1.499395 -0.000141
C -2.830939 1.499374 0.000102
C 3.529888 0.292692 -0.000210
C -3.529904 0.292666 0.000114
C 3.648283 -2.203860 -0.000297
C -3.648282 -2.203886 0.000085
H 1.229999 -3.130407 -0.000157
H -1.229989 -3.130416 -0.000003
H 1.244047 3.681411 -0.000038
H -1.244089 3.681402 0.000069
H 3.379591 2.440221 -0.000123
H -3.379623 2.440196 0.000139
H 4.619203 0.309059 -0.000259
H -4.619219 0.309024 0.000163
H 4.731475 -2.024204 0.000315
H 3.426436 -2.814367 0.887050
H 3.427294 -2.813622 -0.888375
H -3.427039 -2.813874 0.887943
H -4.731474 -2.024238 -0.000171
H -3.426679 -2.814163 -0.887483


%chk=000186901-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186901

0 1
C 0.721165 0.285407 -0.000070
C -0.721182 0.285402 -0.000008
C 1.452063 -0.959808 -0.000120
C -1.452070 -0.959819 -0.000008
C 1.435499 1.539319 -0.000088
C -1.435524 1.539309 0.000054
C 2.885472 -0.950194 -0.000178
C -2.885479 -0.950215 0.000054
C 0.691637 -2.192480 -0.000125
C -0.691635 -2.192485 -0.000070
C 0.690377 2.781849 -0.000030
C -0.690412 2.781844 0.000042
C 2.853998 1.518942 -0.000162
C -2.854023 1.518921 0.000123
C 3.556835 0.296233 -0.000203
C -3.556852 0.296207 0.000122
C 3.686779 -2.239815 -0.000263
C -3.686777 -2.239842 0.000070
H 1.234164 -3.143503 -0.000187
H -1.234155 -3.143512 -0.000066
H 1.253433 3.722932 -0.000042
H -1.253475 3.722923 0.000088
H 3.404721 2.467172 -0.000175
H -3.404753 2.467147 0.000172
H 4.653371 0.305864 -0.000247
H -4.653388 0.305830 0.000169
H 4.769268 -2.026592 0.000156
H 3.468857 -2.861327 0.889786
H 3.469445 -2.860802 -0.890830
H -3.469257 -2.861000 0.890470
H -4.769267 -2.026627 -0.000088
H -3.469031 -2.861180 -0.890146


