%chk=000230100.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230100

0 1
S -2.487043 -2.270819 -0.541683
O 2.028426 -0.158374 -2.238992
O 3.905045 1.022260 0.311575
O 4.175095 -0.495094 -1.420462
O 0.801484 2.339356 -0.631722
O 0.285673 -1.100645 0.790953
O -1.182227 -1.846364 -1.546491
O -0.284290 2.363768 1.359548
O 1.535241 -2.696543 1.786753
O -3.339108 -3.096332 -1.355388
O -1.910975 -2.818604 0.669792
C 3.002091 1.433688 -0.712830
C 1.548188 1.143681 -0.273288
C 1.043825 0.001874 -1.180674
C 3.258897 0.480431 -1.913152
C 4.615378 -0.202314 -0.067586
C 0.950616 -1.361469 -0.476040
C 6.094250 0.128082 -0.112966
C 4.219612 -1.322510 0.860672
C 0.112671 -2.379350 -1.264365
C -0.096543 2.865523 0.277782
C 0.599253 -1.938691 1.864857
C -0.727501 4.065981 -0.332215
C -0.352136 -1.682359 2.968105
C -3.201865 -0.740973 -0.271932
C -4.450746 -0.446217 -0.838814
C -2.559814 0.211209 0.527904
C -5.060147 0.781539 -0.593605
C -3.169166 1.440627 0.781496
C -4.424890 1.733516 0.227162
C -5.092718 3.038969 0.499898
H 3.193033 2.508834 -0.889747
H 1.451109 0.934156 0.817360
H 0.102785 0.259193 -1.721053
H 3.654951 0.854250 -2.870880
H 1.982204 -1.775905 -0.276229
H 0.553241 -2.541387 -2.273433
H 0.044332 -3.342639 -0.722047
H 6.651625 -0.651630 -0.649611
H 6.516116 0.221668 0.895278
H 6.276379 1.077728 -0.632300
H 4.102952 -0.965111 1.893100
H 4.955462 -2.136187 0.866989
H 3.253044 -1.785324 0.574293
H -0.288253 4.323241 -1.311087
H -0.620843 4.943373 0.325348
H -1.806104 3.898936 -0.490176
H -0.574889 -0.613926 3.105304
H 0.013760 -2.092615 3.920543
H -1.317023 -2.189867 2.730991
H -4.951086 -1.187267 -1.475438
H -1.568044 0.001533 0.959612
H -6.030904 1.003751 -1.033299
H -2.659870 2.162541 1.424276
H -6.035409 2.892415 1.051372
H -4.477818 3.720348 1.103069
H -5.349331 3.566643 -0.430528


%chk=000230100-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230100

0 1
S -2.582358 -2.359344 -0.689256
O 1.976929 0.165311 -2.161806
O 3.869084 0.410104 0.638127
O 4.049742 -0.800523 -1.364469
O 1.315004 2.712713 -0.538611
O 0.220156 -0.923321 0.962723
O -1.110804 -1.597025 -1.609629
O -0.554888 2.614557 0.853677
O 1.483653 -2.644842 1.907399
O -3.443993 -3.250479 -1.725394
O -2.001429 -3.063978 0.655876
C 3.236231 1.252379 -0.388492
C 1.728206 1.351063 -0.090548
C 1.070569 0.275523 -0.982313
C 3.329729 0.438714 -1.726980
C 4.756379 -0.554231 -0.077048
C 0.955359 -1.112933 -0.317615
C 6.130427 0.081704 -0.342628
C 4.810424 -1.848796 0.722547
C 0.205938 -2.121908 -1.200604
C 0.135940 3.231370 0.011074
C 0.548903 -1.821941 2.004084
C -0.169548 4.589174 -0.578570
C -0.385640 -1.639094 3.170891
C -3.517932 -0.772750 -0.331270
C -4.825760 -0.678790 -0.833844
C -2.885759 0.238843 0.409426
C -5.545437 0.502437 -0.551016
C -3.628331 1.412081 0.666515
C -4.964041 1.556468 0.203507
C -5.760990 2.807663 0.522322
H 3.705587 2.249517 -0.442278
H 1.492629 1.225219 0.977601
H 0.090137 0.590154 -1.373909
H 3.835109 0.929292 -2.573115
H 1.957935 -1.519949 -0.100947
H 0.763672 -2.284327 -2.140153
H 0.101093 -3.082233 -0.660087
H 6.758126 -0.613090 -0.926337
H 6.635056 0.303438 0.613269
H 6.032864 1.022516 -0.913270
H 5.334468 -1.676886 1.678093
H 5.361606 -2.614819 0.151384
H 3.797563 -2.222258 0.942856
H 0.756489 5.137207 -0.810646
H -0.795019 5.165884 0.119204
H -0.729632 4.457744 -1.522745
H -0.595707 -0.571644 3.347642
H 0.042363 -2.103324 4.071225
H -1.339121 -2.139209 2.919328
H -5.256323 -1.492338 -1.425814
H -1.853118 0.139059 0.758450
H -6.569772 0.605631 -0.926771
H -3.139753 2.222331 1.217814
H -6.321862 2.682661 1.468866
H -5.104010 3.685726 0.645710
H -6.498146 3.034144 -0.267446


