%chk=000185004.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185004

0 1
S 5.133736 -2.947880 0.387514
S -4.905396 -3.236282 0.437041
O 0.060187 0.622332 -1.729423
O 0.107925 2.492087 -2.967801
C 0.015395 0.216290 -0.296600
C -0.132720 1.546086 0.434510
C 1.314482 -0.529316 -0.072957
C -1.202656 -0.665137 -0.111707
C -0.095042 2.599844 -0.507489
C 0.040060 2.023540 -1.868091
C -0.316116 1.811691 1.781146
C 1.681393 -1.502339 -1.020554
C -1.316447 -1.452460 1.043439
C 2.144072 -0.282680 1.026283
C -2.216177 -0.691929 -1.080360
C -0.207502 3.925523 -0.118650
C -0.433442 3.156924 2.181275
C -0.373845 4.196539 1.251569
C 2.860256 -2.230379 -0.863083
C -2.444869 -2.253533 1.238115
C 3.326598 -1.012855 1.193038
C -3.345225 -1.492169 -0.892869
C 3.671997 -1.980184 0.249318
C -3.450010 -2.263727 0.268582
H -0.382024 1.010363 2.514565
H 1.039148 -1.673121 -1.889486
H -0.520469 -1.451341 1.788364
H 1.888438 0.482273 1.758804
H -2.112628 -0.091790 -1.989209
H -0.172166 4.731109 -0.853481
H -0.576972 3.385354 3.238726
H -0.463548 5.230381 1.585450
H 3.138997 -2.980751 -1.604704
H -2.521587 -2.859661 2.138832
H 3.960437 -0.810620 2.054262
H -4.129273 -1.509171 -1.651643
H 5.672341 -2.406734 1.501113
H -4.638647 -3.863080 1.602862


%chk=000185004-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185004

0 1
S 5.350545 -2.927362 0.540227
S -5.180577 -3.131014 0.302504
O 0.144828 0.656189 -1.774579
O 0.197600 2.702804 -2.905678
C 0.043133 0.172611 -0.329931
C -0.131909 1.484302 0.445887
C 1.346446 -0.575940 -0.034782
C -1.215376 -0.701251 -0.209303
C -0.087309 2.575558 -0.444333
C 0.100707 2.081971 -1.832915
C -0.336652 1.695785 1.821386
C 1.550806 -1.859372 -0.605856
C -1.354733 -1.593346 0.882390
C 2.398071 0.002922 0.714071
C -2.288578 -0.573993 -1.123700
C -0.235067 3.906419 -0.003716
C -0.484883 3.027747 2.278180
C -0.433055 4.124950 1.377391
C 2.763725 -2.548586 -0.427280
C -2.538815 -2.337728 1.063331
C 3.615955 -0.683668 0.906690
C -3.473414 -1.318637 -0.953306
C 3.805280 -1.962984 0.336067
C -3.607111 -2.201118 0.145895
H -0.390380 0.857324 2.523392
H 0.757195 -2.316621 -1.206087
H -0.528868 -1.725996 1.590396
H 2.278659 0.997594 1.155514
H -2.188344 0.090886 -1.985980
H -0.198942 4.731752 -0.722047
H -0.647161 3.216152 3.345198
H -0.553782 5.144064 1.759603
H 2.903312 -3.533316 -0.885609
H -2.618376 -3.023184 1.915146
H 4.410995 -0.213128 1.496689
H -4.288317 -1.213371 -1.677428
H 6.056785 -1.957057 1.229565
H -4.843691 -3.828161 1.449709


