%chk=000216456.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216456

0 1
O 2.918438 -1.814426 -1.455868
N -1.028599 -0.330158 -0.300677
N -0.678183 0.966455 -0.597017
N -0.003000 -2.549994 -0.055400
N 3.619419 1.455345 -0.790585
N -5.713675 1.769613 0.191107
C 0.129189 -1.214275 -0.348314
C -2.296843 -0.818899 0.023391
C 1.205979 -0.375499 -0.684610
C -3.462178 0.093749 0.075723
C 0.659368 0.945254 -0.820763
C -2.385450 -2.172376 0.287086
C 2.593928 -0.783135 -0.916281
C -1.218685 -3.002994 0.241713
C -4.301385 0.075172 1.200533
C -3.752301 0.959448 -0.986088
C 3.668152 0.157816 -0.392229
C 4.676265 -0.349958 0.444481
C -5.414625 0.930578 1.216689
C -4.889729 1.780163 -0.886933
C 5.670669 0.525308 0.892440
C 4.598558 2.288621 -0.354971
C 5.638243 1.863128 0.490223
H 1.216179 1.843214 -1.084745
H -3.348863 -2.622328 0.528120
H -1.306979 -4.077289 0.464929
H -4.092698 -0.575007 2.047543
H -3.103443 1.014985 -1.861370
H 4.683249 -1.404090 0.722223
H -6.098555 0.955600 2.074255
H -5.156993 2.475909 -1.692807
H 6.466030 0.163883 1.544816
H 4.534227 3.326512 -0.702357
H 6.401692 2.564077 0.820043


%chk=000216456-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216456

0 1
O 2.898444 -2.037010 0.281005
N -1.082360 -0.325635 0.027191
N -0.692329 1.004565 -0.168398
N -0.091621 -2.543722 0.348817
N 3.514914 1.508937 -0.244939
N -5.931886 1.723033 -0.243053
C 0.057543 -1.206040 0.154650
C -2.391193 -0.791265 0.117313
C 1.204680 -0.359041 0.033077
C -3.566443 0.109052 0.004666
C 0.670926 0.953589 -0.157433
C -2.514025 -2.178988 0.312767
C 2.604943 -0.811667 0.100833
C -1.360605 -3.006379 0.420718
C -4.810278 -0.295441 0.570089
C -3.540755 1.361158 -0.670139
C 3.758042 0.174908 -0.041265
C 5.074936 -0.348589 0.046006
C -5.943457 0.528891 0.423974
C -4.733283 2.111069 -0.771540
C 6.172150 0.526836 -0.079210
C 4.584921 2.343964 -0.364640
C 5.926645 1.903802 -0.289031
H 1.253059 1.860737 -0.290231
H -3.505671 -2.632170 0.350098
H -1.470597 -4.085911 0.566746
H -4.900316 -1.222614 1.143764
H -2.608671 1.743990 -1.086461
H 5.193688 -1.423404 0.208606
H -6.904939 0.234813 0.859066
H -4.734850 3.073286 -1.295154
H 7.196796 0.146269 -0.014801
H 4.351903 3.402623 -0.526577
H 6.747093 2.620754 -0.392211


