%chk=000202129.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202129

0 1
S 1.710394 -0.023153 -0.016450
S -7.373653 -1.150106 -0.179601
O -8.403396 0.182764 -0.024976
O -7.651314 -1.643923 -1.505480
O -7.623699 -1.973255 0.972122
C 6.904496 -0.445845 -0.041617
C 5.766934 0.577337 0.075980
C 8.278668 0.231704 0.046417
C 4.393005 -0.105634 -0.012981
C 9.415870 -0.791836 -0.070941
C 3.269629 0.917283 0.104741
C 10.791754 -0.116404 0.016915
C -0.896625 0.598552 0.048974
C 0.455851 1.293263 0.135171
C -2.044369 1.618211 0.163705
C -3.374477 0.923657 0.077961
C 11.927160 -1.130922 -0.099385
C -3.989917 0.726858 -1.170437
C -4.006541 0.459898 1.244317
C -5.855422 -0.370993 -0.082524
C -5.224602 0.083897 -1.247925
C -5.241243 -0.183184 1.162478
H 6.818183 -0.997974 -0.997650
H 6.809796 -1.208755 0.755445
H 5.862840 1.338750 -0.722009
H 5.854234 1.127474 1.032781
H 8.374994 0.993526 -0.751087
H 8.366466 0.782984 1.002479
H 4.306158 -0.871843 0.785522
H 4.314740 -0.660275 -0.971346
H 9.330344 -1.344409 -1.026345
H 9.321765 -1.554809 0.725598
H 3.322636 1.670700 -0.701313
H 3.313780 1.457387 1.067305
H 10.880152 0.434763 0.973569
H 10.888735 0.645515 -0.781117
H -0.996438 -0.163812 0.851030
H -0.989882 0.041396 -0.907732
H 0.579682 1.826269 1.094871
H 0.585284 2.034988 -0.673248
H -1.958310 2.180412 1.116809
H -1.952382 2.384341 -0.634090
H 11.892134 -1.668664 -1.053707
H 11.883098 -1.879779 0.699616
H 12.904820 -0.640334 -0.035265
H -3.501363 1.074505 -2.079858
H -3.531531 0.599799 2.214611
H -5.697898 -0.070657 -2.225007
H -5.727460 -0.547094 2.075707
H -9.308679 0.063625 -0.340529


%chk=000202129-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202129

0 1
S 1.682105 -0.443649 -0.025306
S -7.737087 -0.923939 -0.241727
O -8.685874 0.651075 0.043216
O -8.014119 -1.416746 -1.758128
O -8.010061 -1.916131 1.007491
C 7.071491 -0.509632 -0.014260
C 5.836899 0.420068 0.013369
C 8.412828 0.257929 0.000255
C 4.499625 -0.358848 -0.010169
C 9.648166 -0.670361 -0.020149
C 3.280476 0.577705 0.034252
C 10.990328 0.096765 -0.007980
C -0.998090 0.399696 0.032866
C 0.427854 0.968195 0.124418
C -2.074522 1.514055 0.195234
C -3.483951 0.955353 0.094592
C 12.218837 -0.838360 -0.025993
C -4.147635 0.890519 -1.159205
C -4.139372 0.440773 1.244779
C -6.038210 -0.157169 -0.104758
C -5.439116 0.333354 -1.275289
C -5.430770 -0.121652 1.160102
H 7.026685 -1.151869 -0.918441
H 7.032667 -1.196198 0.856976
H 5.878308 1.109852 -0.855270
H 5.878540 1.056682 0.921784
H 8.453856 0.941252 -0.873916
H 8.455801 0.904435 0.901957
H 4.461255 -1.054111 0.851789
H 4.453016 -0.982705 -0.925018
H 9.606565 -1.318614 -0.920564
H 9.609985 -1.352685 0.854860
H 3.278131 1.266688 -0.830056
H 3.271316 1.170704 0.967093
H 11.030318 0.745398 0.891088
H 11.028356 0.777200 -0.883281
H -1.144939 -0.368888 0.816227
H -1.135878 -0.107926 -0.940945
H 0.591451 1.474711 1.093518
H 0.620423 1.687977 -0.692371
H -1.929691 2.008480 1.175213
H -1.913732 2.283392 -0.584426
H 12.218077 -1.475819 -0.930427
H 12.219381 -1.508144 0.854751
H 13.165104 -0.266650 -0.016364
H -3.652245 1.283892 -2.054166
H -3.637770 0.484976 2.218225
H -5.957007 0.270376 -2.237280
H -5.942914 -0.528345 2.037573
H -9.660460 0.423138 0.005364


