%chk=000209617.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209617

0 1
S 0.666529 -2.912472 1.582634
O -1.428289 1.603208 -2.015987
O 2.394893 2.524341 -1.918744
N -0.963963 0.669790 1.593770
N 0.994470 -0.321430 0.501503
C -0.485096 -0.499836 0.767808
C 0.250910 1.099741 2.363615
C 1.493386 0.591653 1.585236
C -1.503667 1.790668 0.752499
C 1.248944 0.207124 -0.878987
C -0.646783 -1.757287 1.557238
C -2.695280 1.330787 -0.042120
C 2.727626 0.317081 -1.135426
C -1.703382 -2.219372 2.278794
C -1.466915 -3.525349 2.855084
C -2.641767 1.267706 -1.452027
C 3.284067 1.497770 -1.673359
C -3.890617 0.958062 0.579140
C 3.597806 -0.744831 -0.869281
C -0.239231 -4.033395 2.564502
C -3.739060 0.878209 -2.228419
C 4.651136 1.628195 -1.945933
C -4.998659 0.557963 -0.179198
C 4.969466 -0.634051 -1.131837
C -4.923044 0.523312 -1.573452
C 5.491213 0.544996 -1.668096
H -1.072323 -0.592856 -0.185735
H 0.183413 0.608809 3.359098
H 0.281626 2.188188 2.538360
H 2.103670 1.424969 1.191101
H 2.152239 -0.016062 2.240199
H -0.735235 2.232655 0.073057
H -1.817109 2.602524 1.449899
H 0.739652 1.183695 -1.075879
H 0.812113 -0.523056 -1.601412
H -2.629272 -1.681059 2.427115
H -2.218712 -4.019550 3.453736
H -3.949052 0.973812 1.669658
H 3.192336 -1.666217 -0.441249
H 0.183375 -4.975189 2.861857
H -3.675881 0.845706 -3.310692
H 5.052954 2.545415 -2.361667
H -5.919901 0.271567 0.323371
H 5.627535 -1.472519 -0.915294
H -5.788727 0.214940 -2.159297
H 6.558179 0.626648 -1.872619
H -1.460914 1.585329 -3.003327
H 2.848039 3.320869 -2.285936


%chk=000209617-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000209617

0 1
S 0.956531 -2.860602 1.269911
O -1.888530 2.439115 -1.893494
O 2.650865 1.783573 -2.939199
N -1.122114 0.611049 1.654122
N 0.992698 0.100519 0.599441
C -0.424226 -0.383056 0.779223
C -0.019835 1.027164 2.577663
C 1.264898 1.089365 1.686249
C -1.671135 1.764719 0.865009
C 1.400137 0.518935 -0.757764
C -0.465710 -1.755193 1.425207
C -2.867425 1.347060 0.023398
C 2.900701 0.372527 -0.999338
C -1.508404 -2.377064 2.093878
C -1.216476 -3.732208 2.500195
C -2.962013 1.701435 -1.347831
C 3.505685 1.022417 -2.107175
C -3.931768 0.604966 0.589482
C 3.727967 -0.410529 -0.163199
C 0.052573 -4.152165 2.134314
C -4.083117 1.328949 -2.128390
C 4.889932 0.904424 -2.368189
C -5.058530 0.227070 -0.173228
C 5.113810 -0.544378 -0.411679
C -5.131645 0.591444 -1.537809
C 5.696417 0.117729 -1.515208
H -0.936064 -0.421458 -0.201979
H 0.094020 0.251004 3.354348
H -0.256204 1.986390 3.066012
H 1.409992 2.104423 1.255319
H 2.172746 0.833869 2.262245
H -0.913693 2.243432 0.210711
H -1.989858 2.522823 1.606644
H 1.105975 1.570832 -0.985121
H 0.862176 -0.110734 -1.493476
H -2.449885 -1.861597 2.294348
H -1.921188 -4.365380 3.046076
H -3.846863 0.317461 1.643225
H 3.253146 -0.919164 0.682299
H 0.537144 -5.110510 2.314574
H -4.136923 1.613273 -3.187775
H 5.334860 1.418492 -3.231166
H -5.869022 -0.346741 0.287948
H 5.731832 -1.159866 0.250630
H -5.998595 0.303965 -2.142721
H 6.769313 0.024934 -1.716669
H -2.012146 2.574256 -2.865319
H 3.170652 2.214232 -3.662437


