%chk=000201261.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201261

0 1
S 5.064478 -2.178633 0.694413
O -6.162662 -0.349111 0.775727
C 1.404180 0.977015 0.458102
C 2.268919 -0.229325 -0.032247
C 0.020822 0.968745 -0.206649
C -0.705470 -0.337974 0.222425
C -2.129692 -0.439584 -0.416662
C 3.638918 0.107813 0.664217
C 1.582719 -1.512372 0.463744
C 0.145577 -1.591909 -0.079329
C 2.322857 2.194104 0.267924
C -0.808988 2.187706 0.226028
C 3.745824 1.655045 0.552468
C -2.915360 0.847379 -0.156316
C 2.445756 -0.274979 -1.556158
C -2.203818 2.149487 -0.402582
C -2.858199 -1.646091 0.238446
C -2.065251 -0.626901 -1.943008
C 4.793250 -0.680134 0.133156
C -4.357590 -1.673787 -0.044656
C -4.210178 0.848249 0.201507
C -5.020300 -0.373625 0.366568
C 5.703762 -0.103339 -0.882324
H 1.241683 0.859221 1.561805
H 0.134240 0.982453 -1.316396
H -0.849030 -0.287429 1.332077
H 3.524175 -0.139928 1.754964
H 1.577531 -1.547678 1.569228
H 2.152196 -2.408223 0.148920
H 0.181199 -1.766728 -1.172886
H -0.346057 -2.485412 0.351772
H 2.058311 3.016889 0.950011
H 2.249392 2.599952 -0.754428
H -0.293988 3.122542 -0.065639
H -0.895412 2.223456 1.329769
H 4.435952 1.970204 -0.245355
H 4.148149 2.072639 1.490117
H 2.953770 0.616963 -1.935300
H 3.026080 -1.152084 -1.863898
H 1.477759 -0.336122 -2.068920
H -2.132544 2.305734 -1.501505
H -2.800992 3.006598 -0.026840
H -2.699552 -1.619073 1.336079
H -2.400402 -2.592189 -0.109469
H -1.462430 0.153951 -2.420015
H -1.620195 -1.592142 -2.209592
H -3.064905 -0.595220 -2.391745
H -4.839210 -2.523236 0.481243
H -4.558385 -1.848081 -1.121505
H -4.760655 1.771432 0.391338
H 5.166900 0.450489 -1.668262
H 6.415597 0.601786 -0.418904
H 6.320267 -0.866442 -1.388259


%chk=000201261-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201261

0 1
S 5.022344 -2.217778 1.121510
O -6.191126 -0.399405 1.110585
C 1.415502 1.000476 0.342093
C 2.300348 -0.204114 -0.112008
C 0.005041 0.997046 -0.287720
C -0.709080 -0.340942 0.093016
C -2.187750 -0.450182 -0.469883
C 3.628299 0.158036 0.687311
C 1.599739 -1.505780 0.335440
C 0.160260 -1.588147 -0.242293
C 2.326950 2.239000 0.160715
C -0.829631 2.202825 0.198655
C 3.768885 1.707134 0.479295
C -2.957152 0.828280 -0.088533
C 2.567195 -0.222865 -1.639840
C -2.271809 2.153887 -0.361499
C -2.873176 -1.695400 0.176921
C -2.207137 -0.583224 -2.026602
C 4.829578 -0.710110 0.363569
C -4.410302 -1.706587 0.047202
C -4.223975 0.803252 0.438624
C -5.030156 -0.423399 0.597325
C 5.853144 -0.226726 -0.640874
H 1.264454 0.866993 1.438562
H 0.100563 1.068396 -1.392273
H -0.814970 -0.313412 1.203057
H 3.378741 -0.038705 1.748872
H 1.554960 -1.531300 1.443308
H 2.179778 -2.396219 0.026674
H 0.214779 -1.727390 -1.338651
H -0.321652 -2.496921 0.162397
H 2.039247 3.070079 0.828274
H 2.267320 2.621856 -0.876040
H -0.348286 3.150848 -0.107859
H -0.863789 2.199121 1.307823
H 4.460442 1.945169 -0.347346
H 4.186873 2.175575 1.388133
H 3.082002 0.691531 -1.985375
H 3.194833 -1.092501 -1.908075
H 1.631123 -0.306276 -2.216895
H -2.220196 2.309214 -1.460741
H -2.878259 2.983695 0.045171
H -2.611471 -1.717826 1.254523
H -2.463470 -2.618732 -0.272560
H -1.671897 0.246914 -2.520186
H -1.734787 -1.529026 -2.346005
H -3.244504 -0.580111 -2.405946
H -4.855010 -2.569186 0.574314
H -4.711871 -1.797814 -1.016568
H -4.723292 1.737886 0.726792
H 5.374629 0.146591 -1.566197
H 6.421738 0.626394 -0.217177
H 6.564981 -1.028020 -0.889813


