%chk=000240637.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240637

0 1
S 0.977416 -1.486970 1.203617
S -0.967058 -1.546029 -1.107169
O 1.690845 -0.578209 2.079161
O 1.746238 -2.403957 0.363786
O -1.728049 -2.431988 -0.227833
O -1.688195 -0.682735 -2.021539
C 0.000960 -0.545732 0.026947
C 0.974494 0.286494 -0.827379
C -0.979856 0.314739 0.844162
C 1.684840 1.434014 -0.092409
C -1.700098 1.422631 0.059685
C -0.121965 -2.413307 2.170926
C 0.140513 -2.504278 -2.033163
C 2.686084 2.139363 -1.018451
C -2.707047 2.159698 0.954308
C 3.382917 3.296081 -0.305646
C -3.414003 3.277729 0.191498
H 1.747158 -0.380323 -1.272213
H 0.417871 0.731070 -1.685807
H -0.427195 0.801432 1.682073
H -1.746742 -0.338573 1.318076
H 0.942602 2.165483 0.284114
H 2.213362 1.063394 0.815200
H -0.964217 2.143024 -0.349263
H -2.225692 1.007799 -0.830324
H 0.318469 -3.358749 2.526980
H -0.469738 -1.897254 3.075939
H -1.047178 -2.743621 1.638024
H 1.068308 -2.803133 -1.486380
H -0.291711 -3.468091 -2.347616
H 0.484170 -2.025260 -2.959851
H 3.444388 1.414786 -1.376307
H 2.170543 2.515611 -1.923518
H -3.458990 1.445222 1.344435
H -2.194442 2.580035 1.841465
H 4.109702 3.786866 -0.962297
H 3.924714 2.951469 0.584063
H 2.668524 4.058781 0.024146
H -3.953112 2.889456 -0.681708
H -4.144752 3.790869 0.826297
H -2.706281 4.031164 -0.172230


%chk=000240637-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240637

0 1
S 1.022733 -1.563681 1.324113
S -1.013062 -1.620821 -1.222754
O 1.738638 -0.566789 2.409632
O 1.956001 -2.558829 0.408867
O -1.944784 -2.575427 -0.264045
O -1.730115 -0.675538 -2.353050
C 0.002161 -0.369708 0.024945
C 1.032625 0.363586 -0.821158
C -1.032359 0.392219 0.840369
C 1.797919 1.506358 -0.097465
C -1.801015 1.500144 0.068090
C -0.230362 -2.638508 2.297720
C 0.244057 -2.733436 -2.147184
C 2.775218 2.211344 -1.065529
C -2.804075 2.224938 0.994666
C 3.548944 3.358562 -0.381853
C -3.581274 3.335074 0.256086
H 1.772479 -0.363861 -1.213777
H 0.491604 0.784433 -1.695558
H -0.494658 0.850074 1.698086
H -1.769593 -0.322839 1.259729
H 1.080904 2.250180 0.301353
H 2.349875 1.099161 0.768626
H -1.087059 2.239612 -0.344285
H -2.334271 1.056837 -0.792053
H 0.391791 -3.442508 2.716263
H -0.647576 -1.983936 3.074214
H -0.978803 -2.986630 1.568473
H 0.997192 -3.042114 -1.405016
H -0.373964 -3.560488 -2.524971
H 0.653866 -2.113747 -2.955506
H 3.494691 1.467940 -1.464980
H 2.214845 2.607038 -1.937652
H -3.520286 1.485923 1.407810
H -2.264925 2.659632 1.861511
H 4.247455 3.846679 -1.085458
H 4.137743 2.982446 0.475054
H 2.857730 4.133347 0.000091
H -4.149125 2.918848 -0.596424
H -4.299148 3.838160 0.928937
H -2.894222 4.105327 -0.142118


