%chk=000207109.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207109

0 1
S 1.972508 1.094540 0.251133
S 1.558446 -0.948813 -1.891982
N -3.004256 0.074301 0.192767
N -0.168417 -0.462768 0.065936
C -2.413025 -0.651405 -0.980829
C -2.010909 1.049592 0.753611
C -1.152875 -1.415791 -0.531400
C -0.758041 0.278243 1.217999
C -4.257408 0.779168 -0.207370
C 0.998079 -0.167069 -0.531162
C 3.522443 1.122299 -0.718716
C 4.390852 2.170018 -0.060228
H -2.166374 0.017360 -1.834480
H -3.166179 -1.382638 -1.348865
H -2.475572 1.550106 1.631262
H -1.723359 1.849123 0.036723
H -1.409657 -2.173766 0.244626
H -0.713446 -1.971270 -1.394083
H -0.037625 0.971795 1.700206
H -1.039661 -0.471903 1.997270
H -4.988231 0.034261 -0.563700
H -4.134124 1.543420 -0.989016
H -4.699764 1.258540 0.681248
H 3.992480 0.117816 -0.709506
H 3.300405 1.362764 -1.778384
H 3.934840 3.169755 -0.077121
H 4.623318 1.929789 0.986812
H 5.354249 2.253731 -0.585852


%chk=000207109-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207109

0 1
S 2.030807 1.137816 0.331259
S 1.659896 -0.991130 -1.922704
N -3.072195 0.061809 0.185577
N -0.218718 -0.338555 -0.037279
C -2.492786 -0.649602 -0.979920
C -2.122068 1.069006 0.709190
C -1.168977 -1.334481 -0.593880
C -0.795642 0.395515 1.117121
C -4.401972 0.633458 -0.102935
C 1.033712 -0.147917 -0.569349
C 3.650382 1.111769 -0.649461
C 4.608522 2.135604 -0.023676
H -2.306352 0.042377 -1.840399
H -3.208068 -1.422901 -1.316357
H -2.566546 1.550090 1.600460
H -1.904822 1.871496 -0.041848
H -1.361273 -2.101627 0.181479
H -0.696804 -1.809439 -1.468344
H -0.087445 1.152688 1.485777
H -0.990190 -0.330627 1.930291
H -5.088557 -0.169910 -0.424281
H -4.384588 1.415129 -0.903578
H -4.817049 1.090491 0.813142
H 4.037537 0.081880 -0.607363
H 3.399378 1.344948 -1.695854
H 4.195791 3.159320 -0.062384
H 4.836870 1.892093 1.029109
H 5.559852 2.131898 -0.586891


