%chk=000225541.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225541

0 1
S 1.533479 -1.895514 -1.982274
S -0.340620 -3.276798 0.539082
P 0.277251 -1.721957 -0.333260
O -0.798957 -0.659420 -1.039255
O 0.963902 -0.586392 0.685712
C -2.071592 0.529788 1.326187
C 2.040754 2.070777 0.281164
C -2.686950 1.937568 1.477937
C 1.262788 2.030674 -1.049155
C -2.811609 -0.292884 0.295584
C 2.884150 0.832062 0.506559
C -2.581697 2.752621 0.182260
C 2.183582 1.903832 -2.268592
C -2.062552 -0.208790 2.669773
C 1.077382 2.264685 1.457890
C -2.164834 -0.895687 -0.796605
C 2.355123 -0.460740 0.697071
C -4.198420 -0.497565 0.397174
C 4.279678 0.965347 0.585185
C -3.129775 4.166721 0.357659
C 1.407886 1.483516 -3.514350
C -2.838555 -1.656530 -1.761962
C 3.160121 -1.566523 1.007063
C -4.892479 -1.254198 -0.549004
C 5.103339 -0.130562 0.854272
C -4.216003 -1.831365 -1.630303
C 4.543411 -1.392300 1.075596
H -0.996333 0.671696 1.002170
H 2.724873 2.959665 0.245978
H -2.169153 2.470212 2.299215
H -3.744295 1.865130 1.793715
H 0.516941 1.211560 -1.025328
H 0.655595 2.953350 -1.139251
H -3.129588 2.234738 -0.630607
H -1.525547 2.796339 -0.150762
H 2.696538 2.868285 -2.452318
H 2.994477 1.174829 -2.066444
H -1.423780 0.300832 3.399047
H -1.673547 -1.230629 2.560454
H -3.064327 -0.291689 3.103086
H 0.327298 1.449619 1.491052
H 1.606653 2.252005 2.416160
H 0.533641 3.211000 1.385163
H -4.738991 -0.054492 1.234419
H 4.730939 1.947130 0.436500
H -4.185601 4.156447 0.651400
H -3.055668 4.737731 -0.574554
H -2.581469 4.721162 1.127339
H 0.957506 0.477841 -3.387972
H 2.053146 1.449771 -4.399026
H 0.583246 2.173198 -3.732051
H -2.293180 -2.097896 -2.593774
H 2.729060 -2.545584 1.216799
H -5.966602 -1.398517 -0.443692
H 6.182768 0.001244 0.900690
H -4.761477 -2.420577 -2.365788
H 5.183567 -2.243140 1.306649
H 1.209808 -0.667027 -2.557477


%chk=000225541-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225541

0 1
S 1.275336 -2.162447 -2.246347
S -0.246818 -3.242857 0.907146
P 0.198215 -1.638193 -0.288035
O -1.092648 -0.588770 -0.862070
O 1.095647 -0.286669 0.369938
C -2.463851 0.303220 1.592737
C 2.467786 2.248937 -0.050232
C -3.036797 1.743009 1.751458
C 1.759256 2.156811 -1.433475
C -3.162087 -0.460456 0.466344
C 3.173211 0.960714 0.383497
C -2.834884 2.645871 0.513682
C 2.693366 1.757596 -2.597877
C -2.548400 -0.479733 2.930031
C 1.483039 2.742799 1.045012
C -2.473333 -0.918062 -0.686804
C 2.508478 -0.281521 0.582406
C -4.553776 -0.737638 0.522181
C 4.565074 0.977140 0.658899
C -3.381482 4.073754 0.728497
C 1.968909 1.751667 -3.961798
C -3.114290 -1.615265 -1.734537
C 3.176901 -1.436471 1.043245
C -5.216963 -1.432876 -0.510814
C 5.262108 -0.168972 1.101610
C -4.497077 -1.873914 -1.646929
C 4.563963 -1.381398 1.294785
H -1.395146 0.408087 1.325866
H 3.264655 3.015664 -0.150747
H -2.543792 2.211780 2.628090
H -4.118255 1.688021 1.996194
H 0.910266 1.450615 -1.364159
H 1.319511 3.152654 -1.650528
H -3.330922 2.186516 -0.363687
H -1.753955 2.691209 0.270325
H 3.548468 2.463194 -2.642056
H 3.132126 0.759326 -2.399709
H -1.991542 0.055161 3.721461
H -2.115217 -1.489893 2.824171
H -3.595949 -0.588428 3.268582
H 0.663294 2.017068 1.184186
H 1.996986 2.873493 2.014547
H 1.042165 3.714678 0.753436
H -5.124110 -0.400693 1.395694
H 5.108700 1.919172 0.517139
H -4.467225 4.054747 0.941883
H -3.224834 4.704893 -0.165613
H -2.881286 4.567700 1.583299
H 1.105927 1.055624 -3.957302
H 2.644817 1.446554 -4.781564
H 1.571087 2.755042 -4.204675
H -2.527509 -1.941231 -2.599414
H 2.618034 -2.363988 1.207950
H -6.291300 -1.632234 -0.432290
H 6.338437 -0.114128 1.296140
H -5.005561 -2.413154 -2.453041
H 5.087688 -2.277149 1.644709
H 1.100861 -0.881977 -2.759236


