%chk=000198589.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198589

0 1
S -1.993137 -1.433795 2.026162
S 0.781086 -2.286763 1.087482
S 0.561984 2.619541 -1.613558
O 1.784635 -2.580936 -1.359805
O 4.399363 0.485939 0.432343
N -1.065659 -0.953779 -0.380502
N 1.115107 1.308531 0.582754
N 3.733399 -0.693203 0.225659
N -0.193643 3.316218 0.951393
C -3.041725 -0.580413 0.919784
C -2.377403 -0.406158 -0.327044
C -4.333159 -0.106609 1.124643
C -3.020018 0.259326 -1.382330
C -0.731215 -1.508616 0.750921
C -4.962471 0.553619 0.067510
C -4.312412 0.733113 -1.168497
C 1.740105 0.651620 -0.501382
C 2.513830 -0.571295 -0.205850
C 1.769850 -1.854065 -0.428507
C 1.550905 1.194221 -1.740727
C 0.442723 2.374915 0.159456
C 5.746451 0.180791 0.930017
H -4.841120 -0.247742 2.077114
H -2.509362 0.388059 -2.336543
H -5.975411 0.933549 0.196326
H -4.835906 1.249424 -1.973644
H 1.916811 0.839942 -2.688987
H -1.017985 3.759615 0.566292
H -0.295910 3.071381 1.934382
H 6.151162 1.193297 1.046738
H 6.306307 -0.398800 0.191689
H 5.689020 -0.343826 1.887712


%chk=000198589-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198589

0 1
S -2.632849 1.034953 -1.463324
S 0.370832 0.110081 -1.804776
S 4.157121 2.907727 3.133678
O 0.086565 0.277884 0.962143
O 4.446756 0.654256 -0.780086
N -1.816283 -1.529315 -1.290143
N 1.777963 2.358066 2.005590
N 3.049781 0.344679 -0.873113
N 1.599846 3.835853 3.876858
C -3.853686 -0.259839 -1.144086
C -3.210897 -1.543604 -1.089351
C -5.245225 -0.129233 -0.960899
C -3.980596 -2.706808 -0.846893
C -1.359285 -0.316502 -1.492597
C -5.995996 -1.300783 -0.719666
C -5.369664 -2.576959 -0.663020
C 2.756070 1.649975 1.273986
C 2.326133 0.829478 0.132644
C 0.878009 0.420469 0.022241
C 4.071779 1.825434 1.704547
C 2.300951 3.054086 2.992855
C 5.118175 0.115015 -1.984921
H -5.736814 0.847371 -1.001427
H -3.479415 -3.678203 -0.805246
H -7.078759 -1.222131 -0.573339
H -5.977652 -3.467694 -0.473036
H 4.976816 1.398101 1.287890
H 2.058603 4.367082 4.609953
H 0.585687 3.859448 3.792141
H 6.178787 0.379969 -1.854238
H 4.705179 0.587119 -2.891636
H 4.988271 -0.978875 -2.031725


