%chk=000245100.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245100

0 1
O -3.981627 1.477104 0.308528
N 0.803233 2.572823 -0.795465
N -3.532818 -0.757591 -0.062700
C 1.010740 1.534510 0.241475
C 0.002139 0.395170 0.098376
C 2.347556 0.793288 0.168263
C 0.682118 -0.855442 -0.015140
C 2.129118 -0.610075 0.023222
C -1.374929 0.472666 0.086026
C -0.040401 -2.033174 -0.137135
C 3.629299 1.305691 0.234965
C 3.201388 -1.486570 -0.057018
C -2.103132 -0.735120 -0.038257
C -1.441389 -1.973896 -0.148748
C 4.715709 0.412434 0.150275
C 4.504032 -0.957848 0.006958
C -4.393664 0.354513 0.111664
C -5.852951 -0.001185 0.029102
H 0.895358 2.023044 1.246337
H -1.885968 1.440909 0.164118
H 0.465196 -2.993165 -0.222338
H 3.807306 2.371359 0.355548
H 3.045728 -2.556298 -0.165718
H 0.721804 2.153627 -1.718458
H 1.593323 3.211510 -0.823761
H -2.005943 -2.897725 -0.242485
H 5.730552 0.802783 0.200526
H 5.355581 -1.633985 -0.055354
H -3.954469 -1.676926 -0.209301
H -6.130596 -0.422981 -0.945682
H -6.463478 0.908340 0.167163
H -6.160214 -0.709290 0.809615


%chk=000245100-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245100

0 1
O -4.091724 1.567302 0.152996
N 0.799334 2.638617 -0.692990
N -3.552308 -0.712075 -0.041222
C 1.050202 1.533200 0.244903
C 0.031028 0.392652 0.121050
C 2.390025 0.769458 0.140133
C 0.696201 -0.864703 0.037134
C 2.155179 -0.635227 0.043246
C -1.365195 0.501477 0.095266
C -0.063447 -2.050797 -0.056521
C 3.698748 1.277487 0.140902
C 3.237597 -1.538127 -0.042359
C -2.127286 -0.697866 -0.004482
C -1.469996 -1.960654 -0.074561
C 4.788433 0.372578 0.047090
C 4.556355 -1.022662 -0.039806
C -4.448142 0.359622 0.033974
C -5.916727 -0.065281 -0.040998
H 0.972915 1.965377 1.265026
H -1.863432 1.471000 0.137540
H 0.420093 -3.031708 -0.119359
H 3.882711 2.356620 0.210477
H 3.068762 -2.618986 -0.111901
H 0.864746 2.376485 -1.680801
H 1.289624 3.510172 -0.477596
H -2.069898 -2.877480 -0.149349
H 5.816411 0.752505 0.043160
H 5.408366 -1.708711 -0.108259
H -3.973574 -1.640093 -0.130882
H -6.138065 -0.588143 -0.990186
H -6.543215 0.836068 0.019297
H -6.185120 -0.739608 0.793678


