%chk=000195500.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195500

0 1
S -0.466907 1.766611 1.478014
O -0.079132 2.459539 0.267764
O -0.091725 2.304371 2.765388
O -0.330441 -3.007153 0.493747
O -2.043259 -1.638309 1.017642
O -2.161523 -0.053777 -1.731957
N 0.211543 0.180834 1.453709
N -3.771508 0.900160 -0.422170
C 0.097206 -0.653400 0.247456
C 1.435292 -1.243506 -0.227330
C -2.194832 1.462827 1.436879
C 2.516598 -0.231681 -0.490668
C -2.839570 1.914685 0.119946
C -0.899493 -1.768591 0.635828
C 2.242009 1.016039 -1.066879
C 3.844651 -0.572507 -0.181893
C 3.282790 1.912844 -1.325474
C 4.881060 0.325423 -0.447468
C 4.603305 1.570890 -1.019765
C -3.301456 -0.095617 -1.291354
C -1.157864 -4.160357 0.807916
C -4.298699 -1.155106 -1.657139
H -0.388592 -0.087554 -0.614314
H 1.787474 -2.003847 0.505664
H 1.254984 -1.824335 -1.162759
H 1.069675 0.006018 1.992920
H -2.407822 0.369538 1.606437
H -2.702186 1.935941 2.302218
H -2.063678 2.134472 -0.666677
H -3.405326 2.861206 0.274065
H 1.215344 1.314440 -1.299497
H 4.072576 -1.538455 0.262933
H -4.644036 0.775168 0.080516
H 3.055870 2.885208 -1.762299
H 5.907268 0.054616 -0.206348
H 5.410138 2.271155 -1.222922
H -1.688312 -4.002197 1.752824
H -1.860963 -4.318985 -0.014481
H -0.424090 -4.970103 0.880684
H -5.296713 -0.760380 -1.882460
H -3.956984 -1.702529 -2.551169
H -4.397170 -1.895196 -0.847829


%chk=000195500-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195500

0 1
S -0.672708 1.873483 0.244288
O -0.864865 1.823361 -1.380805
O -0.204081 3.244608 0.985038
O -0.344892 -2.187332 -1.471754
O -1.183748 -1.679446 0.637562
O -4.177883 -1.280020 -1.029632
N 0.573312 0.557419 0.767864
N -4.577770 0.439825 0.487758
C 0.807349 -0.478072 -0.266140
C 2.146471 -1.218599 0.074960
C -2.304752 1.207325 1.074783
C 3.351790 -0.291515 0.009806
C -3.443228 1.259930 0.041981
C -0.351604 -1.487461 -0.278588
C 3.872344 0.122995 -1.244369
C 3.960639 0.195886 1.195063
C 4.973424 1.003531 -1.311823
C 5.064171 1.078371 1.130411
C 5.572173 1.485832 -0.123552
C -4.865209 -0.796831 -0.080638
C -1.471405 -3.146587 -1.668768
C -6.058572 -1.533218 0.519073
H 0.884490 -0.053950 -1.288088
H 2.049130 -1.664842 1.081039
H 2.245644 -2.040745 -0.656639
H 1.439875 1.102061 0.958516
H -2.039003 0.177539 1.361519
H -2.413611 1.878440 1.941450
H -3.095539 0.840754 -0.918515
H -3.770889 2.298780 -0.138732
H 3.415534 -0.249172 -2.170096
H 3.576487 -0.127196 2.170807
H -5.165497 0.782194 1.248955
H 5.364934 1.313661 -2.286985
H 5.523284 1.445830 2.054845
H 6.425707 2.170587 -0.176088
H -1.411803 -3.951913 -0.917312
H -2.430309 -2.610690 -1.573940
H -1.320267 -3.538911 -2.683916
H -6.614629 -0.941475 1.266629
H -6.746595 -1.823170 -0.292638
H -5.702400 -2.462866 0.996366


