%chk=000190439.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190439

0 1
S 3.233137 1.211064 -1.559243
O -5.221756 -2.548819 0.489427
N -2.104031 -0.951457 -0.499162
N -4.866180 -0.374180 -0.085832
N 1.516798 -0.148581 0.634742
C -0.817163 -1.367782 -1.148944
C -2.729259 0.204242 -1.215852
C 0.080184 -2.073510 -0.119746
C -3.064212 -2.092418 -0.430308
C -3.896204 0.717522 -0.352928
C 0.486592 -1.150235 1.039619
C -4.452014 -1.697154 0.064585
C 1.079271 1.119730 0.160116
C 2.858299 -0.604552 0.482427
C -6.183466 0.039785 0.449167
C 1.830038 1.879768 -0.758382
C 3.759085 -0.008463 -0.421474
C -0.118975 1.679924 0.662761
C 3.332579 -1.655665 1.300675
C 1.444676 3.170016 -1.121638
C 5.092508 -0.410448 -0.490382
C -0.510871 2.960700 0.281849
C 4.660976 -2.068753 1.213272
C 0.267598 3.715423 -0.603296
C 5.547304 -1.450250 0.324990
H -0.967085 -2.027733 -2.030344
H -0.291219 -0.460336 -1.526627
H -3.082225 -0.045994 -2.238978
H -1.969064 1.012841 -1.318123
H -0.437445 -2.960708 0.295977
H 0.982377 -2.462005 -0.635166
H -2.650960 -2.838336 0.291767
H -3.198046 -2.633023 -1.396261
H -3.505014 1.124247 0.609005
H -4.418639 1.546916 -0.878893
H 0.885805 -1.752076 1.888531
H -0.415651 -0.617230 1.432716
H -6.789960 -0.858596 0.689135
H -6.729441 0.625174 -0.307623
H -6.086487 0.635352 1.370304
H -0.742014 1.100077 1.348182
H 2.663864 -2.138246 2.012863
H 2.055740 3.752830 -1.813877
H 5.780774 0.078506 -1.182842
H -1.430888 3.382056 0.686511
H 5.012308 -2.880636 1.850689
H -0.038483 4.719845 -0.883655
H 6.583541 -1.774137 0.269667


%chk=000190439-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190439

0 1
S 2.154554 1.252533 -1.879363
O -5.309559 -1.985669 0.664232
N -1.883560 -1.327671 -0.548688
N -4.468585 -0.179368 -0.553809
N 1.206111 -0.148206 0.667592
C -0.624387 -2.086903 -0.733910
C -2.271930 -0.478475 -1.692392
C 0.077626 -2.397628 0.607986
C -3.018645 -2.169872 -0.121628
C -3.345234 0.512389 -1.225625
C 0.359431 -1.109022 1.415628
C -4.352373 -1.426612 0.038637
C 0.822761 1.226031 0.600819
C 2.516006 -0.541476 0.257826
C -5.714958 0.585808 -0.391215
C 1.237903 2.037397 -0.492435
C 3.132944 0.065770 -0.871561
C 0.037954 1.835741 1.617927
C 3.250395 -1.534536 0.961862
C 0.895059 3.401492 -0.567315
C 4.438846 -0.280198 -1.268856
C -0.343507 3.191569 1.522748
C 4.544106 -1.911371 0.541593
C 0.083621 3.984192 0.433966
C 5.148659 -1.285030 -0.570945
H -0.793748 -3.042151 -1.290301
H 0.056287 -1.466942 -1.345570
H -2.657631 -1.077279 -2.556790
H -1.389076 0.087972 -2.037284
H -0.549567 -3.059591 1.236966
H 1.010849 -2.951442 0.396280
H -2.808264 -2.633876 0.857103
H -3.209842 -3.011050 -0.838850
H -2.888900 1.248079 -0.531883
H -3.749244 1.066617 -2.095614
H 0.790628 -1.356186 2.408329
H -0.614927 -0.621626 1.576086
H -6.428262 -0.035565 0.171922
H -6.146241 0.839055 -1.378248
H -5.527840 1.524983 0.165028
H -0.265136 1.254584 2.493786
H 2.813673 -2.008310 1.846027
H 1.249272 3.999067 -1.414161
H 4.889604 0.222497 -2.131148
H -0.958113 3.631762 2.315666
H 5.083462 -2.687106 1.096126
H -0.198975 5.039557 0.365983
H 6.155457 -1.569239 -0.893124


