%chk=000179886.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179886

0 1
S -4.315993 0.544230 -0.848000
O -4.152108 -0.525511 0.426777
O -3.089450 -0.002738 -1.822670
O -5.543953 0.249439 -1.493843
O -3.928694 1.839966 -0.374737
C 0.846982 -0.079565 0.272021
C 2.231602 -0.055294 -0.137063
C 0.117688 1.137340 0.386982
C 0.210889 -1.319260 0.557904
C 2.959417 -1.271711 -0.253158
C 2.866353 1.185060 -0.424164
C -1.843841 -0.125645 1.073062
C -1.225573 1.098666 0.785829
C -1.134995 -1.326757 0.956662
C 0.793699 2.388008 0.083266
C 0.980617 -2.545147 0.426950
C 2.280104 -2.522008 0.044269
C 2.093025 2.410006 -0.298905
C 4.305625 -1.231032 -0.650773
C 4.213379 1.191351 -0.819235
C -3.283680 -0.146877 1.513795
C 4.920791 -0.008461 -0.929292
H -1.798642 2.029098 0.864759
H -1.632895 -2.273630 1.170139
H 0.213583 3.307321 0.176176
H 0.472079 -3.484049 0.647888
H 2.856898 -3.442419 -0.053352
H 2.599655 3.348934 -0.525232
H 4.872537 -2.156443 -0.742790
H 4.709712 2.135100 -1.041303
H -3.489488 -0.948442 2.255459
H -3.621704 0.823801 1.929532
H 5.966637 0.010081 -1.237090
H -2.177256 0.209087 -1.536261


%chk=000179886-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179886

0 1
S -4.464303 0.651215 -0.882247
O -4.205795 -0.667920 0.397119
O -3.018690 0.428643 -1.969844
O -5.714593 0.198142 -1.753063
O -4.366452 2.090494 -0.157465
C 0.884967 -0.116029 0.278245
C 2.258961 -0.081969 -0.135472
C 0.124113 1.107652 0.363663
C 0.259521 -1.373349 0.615184
C 3.017974 -1.305794 -0.220850
C 2.882306 1.175750 -0.468019
C -1.848090 -0.186309 1.107158
C -1.235959 1.050961 0.776153
C -1.098395 -1.383963 1.025620
C 0.773123 2.357546 0.026593
C 1.044104 -2.587193 0.522102
C 2.366830 -2.553511 0.120070
C 2.097091 2.388532 -0.372626
C 4.375899 -1.249888 -0.634851
C 4.242980 1.186367 -0.877291
C -3.303436 -0.223731 1.515785
C 4.978660 -0.015349 -0.959186
H -1.812791 1.980555 0.858330
H -1.577441 -2.339293 1.271751
H 0.190483 3.283373 0.093887
H 0.564457 -3.539638 0.775061
H 2.948478 -3.480141 0.051653
H 2.576613 3.341123 -0.625916
H 4.954746 -2.178285 -0.700831
H 4.718995 2.140536 -1.130889
H -3.511062 -1.015509 2.258038
H -3.658477 0.748519 1.902085
H 6.026314 0.010170 -1.277180
H -2.198133 0.600791 -1.409164


