%chk=000190734.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190734

0 1
S 3.528460 -2.030002 0.227096
O 3.426477 1.798249 -0.020049
O -3.920217 1.136026 -0.376389
O -3.343820 -1.076489 -0.168923
N -1.745736 0.658458 -0.200716
N 4.226256 -0.434256 0.160759
C 1.865691 -0.048567 0.019556
C 1.874139 -1.458644 0.109147
C -0.527059 -0.081295 -0.096535
C 0.670450 0.658934 -0.084422
C 0.686334 -2.186527 0.096324
C -0.517199 -1.494314 -0.006846
C 3.256475 0.453326 0.056597
C -3.026060 0.090464 -0.235311
C -5.345447 0.784352 -0.366838
C -5.791992 0.467745 1.042758
C 4.807451 2.274420 0.017678
H 0.686958 1.745532 -0.152475
H 0.691901 -3.274656 0.165145
H -1.465045 -2.048675 -0.018784
H -1.677599 1.679132 -0.268957
H -5.776330 1.721422 -0.767055
H -5.501823 -0.056247 -1.066406
H -6.881169 0.352740 1.102796
H -5.343409 -0.471866 1.402413
H -5.500153 1.255919 1.749057
H 5.274570 1.981784 0.963762
H 4.668251 3.357921 -0.057824
H 5.362944 1.867914 -0.833854


%chk=000190734-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190734

0 1
S 3.681307 -2.072702 0.148919
O 3.411449 1.843373 0.008764
O -3.917783 1.133208 -0.330548
O -3.381706 -1.162200 -0.205864
N -1.743312 0.556844 -0.182492
N 4.306269 -0.356479 0.120147
C 1.910651 -0.088009 0.004500
C 1.951461 -1.508972 0.052862
C -0.518759 -0.158981 -0.103437
C 0.677448 0.592314 -0.073514
C 0.760475 -2.261159 0.024057
C -0.473050 -1.587824 -0.053856
C 3.256826 0.471357 0.046446
C -3.029707 0.045272 -0.231397
C -5.367495 0.782243 -0.342356
C -5.908861 0.636250 1.082413
C 4.806311 2.337672 0.055945
H 0.670974 1.687499 -0.109692
H 0.777533 -3.354556 0.060790
H -1.410250 -2.148129 -0.077235
H -1.689716 1.577569 -0.217082
H -5.831803 1.625708 -0.878241
H -5.497235 -0.151268 -0.917331
H -7.000760 0.464005 1.047733
H -5.440914 -0.222491 1.591580
H -5.722905 1.550886 1.671130
H 5.296076 2.007752 0.987936
H 4.713972 3.432120 0.017403
H 5.376803 1.951497 -0.805873


