%chk=000220438.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220438

0 1
O 4.120315 -0.398611 -0.539868
O 3.097795 1.627027 -0.201576
N 0.690209 0.102098 -0.293582
N 1.901890 -0.358923 -0.765919
C -1.493277 -2.841650 -0.277103
C -2.882169 -2.197084 -0.241176
C -0.515014 -1.969676 -1.070161
C -2.839846 -0.745536 0.150751
C -1.662779 0.024495 0.034969
C -0.403765 -0.597383 -0.448627
C -4.018813 -0.141782 0.615521
C -1.694341 1.387683 0.383080
C -4.035819 1.210444 0.960727
C -2.872230 1.976912 0.842984
C 3.022089 0.449562 -0.433620
C 5.442585 0.214832 -0.403543
C 5.717884 0.540804 1.048355
H -1.117181 -2.982782 0.756496
H -1.553093 -3.851765 -0.724426
H -3.536635 -2.765582 0.451403
H -3.363744 -2.277445 -1.240451
H -0.863711 -1.853315 -2.120106
H 0.466913 -2.477362 -1.139044
H -4.928868 -0.731270 0.708040
H -0.784508 1.991093 0.293880
H -4.955993 1.668113 1.321125
H -2.882533 3.032106 1.109708
H 2.071186 -1.370820 -0.883323
H 6.079846 -0.597226 -0.800304
H 5.483734 1.104896 -1.056316
H 6.750777 0.876332 1.196944
H 5.055535 1.345938 1.406185
H 5.548761 -0.326624 1.698777


%chk=000220438-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220438

0 1
O 4.100489 -0.298526 -0.713292
O 3.076981 1.708461 0.010624
N 0.633664 0.220453 -0.081490
N 1.877305 -0.306689 -0.381355
C -1.603918 -2.852839 -0.050984
C -2.877935 -2.142807 -0.551953
C -0.343510 -2.070350 -0.482487
C -2.939940 -0.712042 -0.036891
C -1.736324 0.029166 0.169441
C -0.417660 -0.586357 -0.126088
C -4.184380 -0.096227 0.238872
C -1.814844 1.371636 0.639115
C -4.254495 1.234403 0.702632
C -3.059587 1.970328 0.902005
C 3.008479 0.507277 -0.318015
C 5.431054 0.369898 -0.667545
C 6.032690 0.304131 0.739136
H -1.633956 -2.922436 1.053191
H -1.550819 -3.884122 -0.446828
H -3.780682 -2.698167 -0.237255
H -2.879099 -2.144512 -1.662799
H -0.207573 -2.172117 -1.581489
H 0.547420 -2.532799 -0.008353
H -5.106738 -0.670581 0.087482
H -0.880845 1.922713 0.783109
H -5.227355 1.693222 0.911832
H -3.103226 3.003773 1.262986
H 2.025735 -1.277397 -0.683145
H 6.029691 -0.193827 -1.401231
H 5.309846 1.415713 -1.001179
H 7.051480 0.734655 0.729936
H 5.421098 0.883421 1.451068
H 6.102153 -0.739959 1.090751


