%chk=000215971.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215971

0 1
S -1.227791 -2.582005 1.118216
O -6.052940 2.098976 -0.431061
O 5.436539 2.100447 -1.513213
O 3.578513 3.201053 -1.409565
N -4.255811 -0.036416 0.177251
N 1.432727 -2.331788 0.504137
N 0.219302 -0.396530 0.241489
N 4.240101 2.182926 -1.281935
C -3.804752 1.393680 0.237113
C -5.308203 -0.192123 -0.880414
C -3.095253 -0.955946 -0.071867
C -5.019610 2.276735 0.560215
C -6.488777 0.728428 -0.528243
C -2.511185 -1.310821 1.295611
C 0.170296 -1.689764 0.595183
C 2.338753 -1.362801 0.052676
C 1.564915 -0.149362 -0.104256
C 3.718699 -1.397653 -0.230895
C 1.718133 -3.736748 0.807613
C 2.180523 1.030315 -0.543902
C 3.545650 0.966958 -0.815738
C 4.308427 -0.226568 -0.663413
H -3.329691 1.736810 -0.708027
H -3.039569 1.490070 1.036745
H -5.647138 -1.249563 -0.888200
H -4.936928 0.047834 -1.900050
H -3.446898 -1.874868 -0.590339
H -2.312784 -0.505164 -0.725442
H -5.437170 2.052567 1.557393
H -4.789419 3.352884 0.471507
H -7.237976 0.774113 -1.337649
H -6.965892 0.434604 0.423379
H -2.109319 -0.412483 1.808347
H -3.288060 -1.736200 1.967217
H 4.292998 -2.312587 -0.112661
H 1.342052 -4.004417 1.814959
H 1.234776 -4.405572 0.069032
H 2.804483 -3.933358 0.789537
H 1.607810 1.956747 -0.666058
H 5.379072 -0.191508 -0.899192


%chk=000215971-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215971

0 1
S -1.244850 -2.813173 1.382211
O -5.640319 2.265290 -0.669037
O 5.102765 2.419554 -1.421103
O 3.113070 3.462849 -1.029873
N -4.132733 -0.085552 0.093140
N 1.374502 -2.376250 0.493906
N 0.075853 -0.478640 0.554743
N 3.860444 2.408260 -1.059992
C -3.446499 1.198247 -0.210700
C -5.392459 -0.206877 -0.681414
C -3.237887 -1.259943 0.023260
C -4.385977 2.373936 0.098843
C -6.305352 0.989636 -0.359443
C -2.592624 -1.467040 1.406999
C 0.115691 -1.802006 0.772442
C 2.202312 -1.326908 0.075676
C 1.376366 -0.147263 0.113220
C 3.555322 -1.293812 -0.321624
C 1.767309 -3.782300 0.630864
C 1.906713 1.099100 -0.261421
C 3.261774 1.115597 -0.659441
C 4.084627 -0.045408 -0.694666
H -3.145894 1.243202 -1.286822
H -2.525689 1.276940 0.395425
H -5.904866 -1.145941 -0.398853
H -5.202283 -0.231686 -1.783402
H -3.828017 -2.154727 -0.247818
H -2.441769 -1.139558 -0.745686
H -4.613917 2.393133 1.186360
H -3.938246 3.334228 -0.205232
H -7.217482 0.974349 -0.978858
H -6.581505 0.961545 0.717031
H -2.093396 -0.552282 1.759852
H -3.323834 -1.812231 2.154639
H 4.179868 -2.191948 -0.340191
H 0.867291 -4.403897 0.760903
H 2.292138 -4.118758 -0.279906
H 2.427279 -3.927276 1.504715
H 1.316625 2.017734 -0.249927
H 5.124251 0.060778 -1.013325


