%chk=000185602.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185602

0 1
O 2.106086 0.973735 0.751542
O 2.709078 -0.587200 2.302142
O -2.041484 -3.510972 0.020183
N -1.909666 1.162755 -0.105672
N 0.105861 -0.140005 0.338713
N -1.971194 -1.234507 -0.077194
N 3.331440 -0.909164 0.067436
C 0.185195 2.316146 0.346429
C -1.192443 2.320281 0.039929
C 0.777266 1.038272 0.488858
C -1.248364 -0.032290 0.058172
C 0.979035 3.560308 0.527136
C -1.956079 3.586561 -0.140229
C 2.683050 -0.316422 1.132886
C -3.403562 -1.156272 -0.467950
C 3.833197 -2.292320 0.263595
C 3.035999 -0.510844 -1.327422
C -1.375476 -2.512300 0.181121
H 0.542560 4.207806 1.301305
H 2.012136 3.338332 0.842465
H 1.039151 4.140355 -0.404041
H -3.009251 3.401583 -0.413660
H -1.961333 4.180472 0.787140
H -1.515237 4.211719 -0.930932
H -3.513909 -0.649289 -1.441721
H -3.980701 -0.585905 0.281060
H -3.823198 -2.177221 -0.543781
H 4.805631 -2.401190 -0.247202
H 3.134662 -3.048953 -0.130444
H 3.994028 -2.497885 1.340040
H 2.083790 -0.935830 -1.690849
H 3.851814 -0.845293 -1.989631
H 2.974232 0.591711 -1.398828
H -0.326212 -2.485771 0.516004


%chk=000185602-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185602

0 1
O 1.925239 0.623685 -0.048557
O 2.074186 -0.861857 1.794639
O -2.694421 -3.465620 -0.185401
N -2.185751 1.213178 0.062647
N -0.255632 -0.251935 -0.057860
N -2.465801 -1.129289 -0.092332
N 3.560434 -1.025270 -0.021077
C 0.069774 2.166479 0.141447
C -1.349850 2.297680 0.138555
C 0.540088 0.830696 0.036643
C -1.599778 -0.016043 -0.022203
C 1.001699 3.350593 0.245299
C -2.011931 3.651502 0.238982
C 2.492653 -0.510851 0.671292
C -3.926912 -0.910140 -0.121598
C 4.359619 -2.087577 0.615341
C 3.973391 -0.601613 -1.368486
C -1.960870 -2.445281 -0.113568
H 0.719392 4.009702 1.086599
H 2.038800 3.015028 0.398526
H 0.976340 3.968065 -0.673562
H -3.100808 3.537117 0.132330
H -1.800427 4.124864 1.217013
H -1.639423 4.342851 -0.539390
H -4.205833 -0.295757 -0.992844
H -4.254737 -0.384695 0.789739
H -4.398423 -1.903043 -0.183921
H 5.415017 -1.769671 0.711246
H 4.320356 -3.011738 0.008601
H 3.949322 -2.295891 1.614250
H 4.016837 -1.479783 -2.040370
H 4.977057 -0.135078 -1.337284
H 3.255136 0.123974 -1.770314
H -0.858641 -2.473879 -0.057784


