%chk=000213944.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213944

0 1
S 1.501933 1.888351 -0.232600
O -3.215180 1.472214 0.077729
N -1.087001 0.600817 0.082499
N -3.106672 -0.816080 -0.254179
C 3.828424 -0.260397 -0.015551
C 4.082490 1.149968 -0.555914
C 2.395738 -0.720230 -0.041944
C 1.308190 0.158499 -0.052874
C 3.246458 2.186711 0.172821
C -0.017199 -0.337603 0.020269
C 2.156632 -2.106002 0.000717
C -0.239531 -1.724195 0.050886
C 0.850816 -2.594467 0.033632
C -2.435458 0.291020 -0.045776
C -4.613320 1.058264 -0.086410
C -4.549930 -0.475435 -0.310345
H 4.186607 -0.327232 1.036948
H 4.459567 -0.976636 -0.585594
H 5.160610 1.393109 -0.453405
H 3.875947 1.179234 -1.647605
H 3.400111 2.151744 1.267011
H 3.477020 3.217577 -0.159237
H 2.991688 -2.802042 0.004614
H -1.253952 -2.133435 0.085731
H -0.882501 1.594523 0.261997
H 0.674269 -3.670814 0.052590
H -4.987079 1.626395 -0.949984
H -5.118371 1.359903 0.841983
H -5.095467 -1.044100 0.470003
H -4.964540 -0.780761 -1.292815


%chk=000213944-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213944

0 1
S 1.479297 1.995153 -0.273746
O -3.229583 1.520819 -0.040505
N -1.109322 0.586121 -0.050300
N -3.099503 -0.821026 -0.167777
C 3.867448 -0.270907 -0.016005
C 4.157088 1.161434 -0.508833
C 2.405750 -0.723208 -0.057247
C 1.299989 0.161476 -0.104695
C 3.290917 2.201767 0.215079
C -0.039279 -0.344986 -0.060044
C 2.149825 -2.118636 0.000381
C -0.267423 -1.742445 -0.016437
C 0.834332 -2.620711 0.008185
C -2.459239 0.318742 -0.090915
C -4.654816 1.066902 -0.083036
C -4.558599 -0.496232 -0.201134
H 4.227077 -0.361392 1.030817
H 4.471862 -0.984937 -0.606662
H 5.225311 1.395574 -0.330521
H 3.980704 1.241182 -1.597808
H 3.371156 2.113545 1.311743
H 3.534020 3.233142 -0.088819
H 3.002335 -2.808306 0.031698
H -1.298946 -2.103757 -0.006900
H -0.872437 1.577095 0.059054
H 0.659862 -3.701658 0.037372
H -5.128502 1.547015 -0.954719
H -5.138607 1.407967 0.847248
H -5.071592 -1.004837 0.634668
H -4.998828 -0.865998 -1.144942


