%chk=000208600.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208600

0 1
S 0.392207 0.407604 0.419421
O 0.131175 0.925482 1.733058
O 0.474022 1.356808 -0.701737
O 2.784020 2.378316 -0.406382
N 3.135985 0.047724 -0.186180
N 2.144375 -1.607640 0.966622
N 4.100311 -0.867990 0.039689
C -0.721600 -0.883220 0.024295
C 1.942808 -0.394907 0.380426
C -2.138200 -0.394633 0.006250
C -2.879528 -0.430567 -1.183907
C -2.732269 0.080117 1.187042
C 3.436973 1.301163 -0.985608
C 3.487636 -1.880518 0.745578
C -4.208734 0.003573 -1.189403
C -4.059831 0.512082 1.172033
C -4.801626 0.472643 -0.013876
H -0.463816 -1.373185 -0.941563
H -0.637658 -1.729969 0.753786
H -2.425766 -0.788115 -2.105818
H -2.154124 0.132209 2.114314
H 4.528565 1.520034 -0.890875
H 3.120593 1.114579 -2.035225
H 3.989535 -2.775388 1.089334
H -4.781617 -0.022850 -2.115505
H -4.516740 0.884293 2.088860
H -5.836330 0.810428 -0.021016
H 1.801734 2.452525 -0.717815


%chk=000208600-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208600

0 1
S 0.395931 0.660044 0.056930
O -0.081098 1.501230 1.360758
O 0.670414 1.464478 -1.370844
O 3.138517 2.348826 -0.858572
N 3.267365 0.045971 -0.071095
N 2.041717 -1.299608 1.260876
N 4.179087 -0.860310 0.477420
C -0.872486 -0.931845 -0.291107
C 2.012224 -0.245868 0.415416
C -2.265293 -0.487118 -0.104329
C -3.037391 -0.044905 -1.215734
C -2.842179 -0.473428 1.196899
C 3.728126 1.078972 -1.075064
C 3.385201 -1.646065 1.267352
C -4.367957 0.379875 -1.031511
C -4.172758 -0.046214 1.377298
C -4.937959 0.378055 0.264745
H -0.565753 -1.177318 -1.318192
H -0.469930 -1.627365 0.461258
H -2.590063 -0.035099 -2.216575
H -2.242191 -0.788296 2.057998
H 4.813247 1.155375 -0.918605
H 3.503758 0.660891 -2.077124
H 3.792422 -2.467515 1.849470
H -4.959244 0.715156 -1.889963
H -4.612475 -0.035779 2.379963
H -5.971956 0.710841 0.407487
H 2.172825 2.317616 -1.169356


