%chk=000209653.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209653

0 1
S 0.449894 3.176908 0.035755
O 2.574183 -1.171583 0.739924
O -2.030732 2.657439 0.731546
O 0.371885 -0.818289 -1.287042
O 3.943277 0.009089 -0.628116
C -0.845380 0.740092 0.033235
C 1.689436 0.782222 -0.168319
C 0.388017 0.131429 -0.538915
C -1.986044 -0.159980 0.299950
C 1.849397 2.099934 0.027515
C -0.904550 2.065789 0.278466
C -2.375011 -1.121443 -0.647340
C -2.689077 -0.055087 1.513196
C 2.863652 -0.132464 -0.100024
C 3.109326 2.831528 0.251477
C -3.454417 -1.966623 -0.380421
C -3.765288 -0.905999 1.772868
C -4.150920 -1.862221 0.827708
C 3.546329 -2.267719 0.835174
C 3.444919 -3.136174 -0.398959
H -1.821952 -1.215861 -1.585698
H -2.397218 0.695356 2.246118
H 3.976222 2.294787 -0.195084
H 3.332266 2.942394 1.327523
H 3.125446 3.842478 -0.186113
H -3.751469 -2.710644 -1.117839
H -4.305488 -0.823136 2.714035
H -4.990183 -2.523330 1.032223
H 4.551263 -1.834859 0.978779
H 3.191385 -2.767775 1.755240
H -1.942536 3.638900 0.872532
H 3.967695 -4.089983 -0.269120
H 2.394857 -3.358038 -0.644367
H 3.873214 -2.636237 -1.280608


%chk=000209653-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000209653

0 1
S 0.504838 3.160456 0.612297
O 3.169504 -0.981027 0.764952
O -2.120949 2.643783 0.918398
O 0.422162 -1.245523 -0.366859
O 3.559449 -0.124866 -1.373540
C -0.864709 0.664962 0.347635
C 1.702541 0.722548 0.005250
C 0.406677 -0.016649 -0.014431
C -2.118474 -0.153100 0.391810
C 1.894826 2.061153 0.209694
C -0.915210 2.018434 0.609633
C -2.444625 -1.029620 -0.677547
C -2.995574 -0.078854 1.506715
C 2.896586 -0.153907 -0.310789
C 3.212001 2.799538 0.181436
C -3.624781 -1.802574 -0.634577
C -4.169997 -0.859765 1.551940
C -4.491709 -1.723405 0.479504
C 4.178026 -2.068971 0.537412
C 3.506894 -3.274215 -0.125400
H -1.770881 -1.112061 -1.533779
H -2.754629 0.588138 2.340434
H 4.000923 2.161849 -0.245671
H 3.515094 3.104403 1.200530
H 3.144018 3.712805 -0.437136
H -3.862596 -2.471441 -1.469185
H -4.831549 -0.794549 2.423109
H -5.404261 -2.329456 0.513561
H 4.998579 -1.664579 -0.081540
H 4.539517 -2.295463 1.552965
H -2.077148 3.631612 0.843134
H 4.231778 -4.106345 -0.200465
H 2.639087 -3.611282 0.465221
H 3.156990 -3.021129 -1.139412


