%chk=000280608.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280608

0 1
O -4.802644 1.151895 0.906708
N -2.736869 0.369505 -0.921973
N -0.424336 0.707231 -0.370922
N -1.392148 -1.543974 -0.444762
C -3.966907 -0.456457 -0.741595
C -2.994345 1.805811 -0.612379
C -4.564879 -0.250093 0.658488
C -3.615703 1.963367 0.784210
C -1.507374 -0.189916 -0.531178
C 0.790666 0.191876 -0.183235
C 1.019142 -1.228651 -0.111101
C -0.127183 -2.067909 -0.248283
C 1.914296 1.155906 -0.039052
C 2.293807 -1.828305 0.106357
C 0.024264 -3.492641 -0.172598
C 2.416122 -3.193853 0.174745
C 1.268312 -4.030338 0.031933
C 2.884140 1.245643 -1.048849
C 1.996010 1.972462 1.097221
C 3.941182 2.148695 -0.912095
C 3.060223 2.869703 1.227717
C 4.031922 2.957833 0.225973
H -3.745808 -1.533798 -0.925404
H -4.689157 -0.135389 -1.526482
H -3.692527 2.183454 -1.394342
H -2.057307 2.403160 -0.702177
H -5.578781 -0.678439 0.750132
H -3.910640 -0.652765 1.451488
H -2.907267 1.691352 1.585813
H -4.009838 2.980795 0.956151
H 3.164470 -1.179842 0.220012
H -0.866237 -4.111618 -0.283387
H 3.384839 -3.660693 0.339834
H 1.402547 -5.111459 0.090330
H 2.806907 0.619667 -1.937544
H 1.229692 1.910441 1.869356
H 4.694178 2.224236 -1.695315
H 3.128394 3.503900 2.110471
H 4.858239 3.659508 0.329533


%chk=000280608-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280608

0 1
O -5.165856 1.312139 0.690065
N -2.681264 0.335103 -0.358468
N -0.350562 0.635873 -0.181244
N -1.327809 -1.588964 -0.481558
C -3.906788 -0.471500 -0.510139
C -2.911194 1.788217 -0.252455
C -4.884434 -0.134750 0.633556
C -3.913735 2.066219 0.885433
C -1.423692 -0.240635 -0.333129
C 0.895301 0.120248 -0.124159
C 1.117665 -1.315139 -0.158277
C -0.062456 -2.133210 -0.376048
C 2.002521 1.119251 -0.036698
C 2.379548 -1.957093 0.049983
C 0.083849 -3.555277 -0.465538
C 2.490711 -3.349684 -0.017530
C 1.336822 -4.148760 -0.295260
C 3.192346 0.991077 -0.803597
C 1.838568 2.264955 0.786671
C 4.199041 1.978914 -0.733328
C 2.850163 3.244091 0.866596
C 4.036794 3.103511 0.108128
H -3.624092 -1.536034 -0.501625
H -4.382552 -0.233693 -1.483734
H -3.333884 2.159391 -1.208839
H -1.944865 2.283735 -0.071813
H -5.862869 -0.616815 0.473816
H -4.456628 -0.471253 1.602868
H -3.459525 1.792104 1.862670
H -4.211319 3.127719 0.900716
H 3.258118 -1.351180 0.290583
H -0.816926 -4.148376 -0.649987
H 3.459072 -3.832507 0.151274
H 1.436791 -5.238515 -0.355434
H 3.311978 0.142985 -1.485940
H 0.909943 2.371338 1.356305
H 5.104336 1.874616 -1.341575
H 2.714595 4.116307 1.515669
H 4.821690 3.865892 0.165838


