%chk=000114000.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114000

0 1
 O  -0.3057000      -4.262300     -0.7814000    
 N  -0.9611000     -0.6974000     -0.1139000    
 N   -4.462500      0.5875000     -0.2582000    
 N    1.630000      0.4228000     -0.3342000    
 C   -2.421300     -0.7485000     -6.0500000E-02
 C   -3.005100      0.6417000     -0.2939000    
 C  -0.4451000      0.2262000      0.8973000    
 C  -0.3947000      -2.031800      7.7699997E-02
 C   -4.927400      7.7699997E-02   1.032800    
 C   -5.033300       1.910200     -0.5175000    
 C    1.045000      0.3113000      0.8804000    
 C  -0.8932000      -2.985800     -0.9960000    
 C   -6.441300     -4.5800000E-02   1.061400    
 C   -4.563200       2.458500      -1.854100    
 C    1.738600      0.2723000       2.073000    
 C    2.973000      0.5012000     -0.3891000    
 C    3.768800      0.4697000      0.7752000    
 C    3.122300      0.3533000       2.013200    
 C    3.615900      0.6169000      -1.618600    
 C    5.168300      0.5536000      0.6809000    
 C    5.007300      0.7003000      -1.712700    
 C    5.784700      0.6686000     -0.5618000    
 H   -2.699800      -1.174600      0.9072000    
 H   -2.835800      -1.383300     -0.8489000    
 H   -2.638400      0.9767000      -1.270200    
 H   -2.683800       1.368200      0.4583000    
 H  -0.8066000     -5.1199999E-02   1.896600    
 H  -0.7578000       1.257200      0.7086000    
 H   0.6995000      -2.037300      1.5100000E-02
 H  -0.6381000      -2.434400       1.070900    
 H   -4.581700     -0.9428000       1.211600    
 H   -4.586800      0.6989000       1.870600    
 H   -6.124100       1.850700     -0.5904000    
 H   -4.793100       2.625600      0.2792000    
 H  -0.6092000      -2.645100      -1.996900    
 H   -1.971200      -3.156700     -0.9767000    
 H   -6.745700     -0.6371000       1.932700    
 H   -6.824700     -0.5570000      0.1714000    
 H   -6.938500      0.9243000       1.156700    
 H   -5.184100       3.316900      -2.135200    
 H   -4.654800       1.716600      -2.654800    
 H   -3.531700       2.822800      -1.818800    
 H    1.237200      0.1828000       3.030300    
 H    3.694200      0.3251000       2.937900    
 H    3.029200      0.6438000      -2.535100    
 H  -0.5869000      -4.572800      9.6299998E-02
 H    5.786300      0.5296000       1.575700    
 H    5.479900      0.7898000      -2.686500    
 H    6.866300      0.7330000     -0.6309000    


%chk=000114000-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114000

0 1
O -0.415959 -4.596252 -1.107636
N -1.056119 -1.260377 0.592867
N -4.160434 0.774689 -0.300978
N 1.283617 0.887970 0.576296
C -2.495047 -0.928032 0.475896
C -2.723419 0.393340 -0.293539
C -0.358474 -0.546139 1.689839
C -0.728941 -2.693520 0.475543
C -4.552843 1.526655 0.922023
C -4.581355 1.451245 -1.556939
C 1.086926 -0.207806 1.341108
C -0.719215 -3.158880 -0.996565
C -6.050546 1.394074 1.259574
C -4.718789 0.478003 -2.743223
C 2.169950 -1.027612 1.810756
C 2.582847 1.217647 0.215673
C 3.730646 0.433150 0.630574
C 3.481268 -0.711339 1.453916
C 2.791423 2.379415 -0.595883
C 5.042213 0.834400 0.216586
C 4.081731 2.746838 -0.985082
C 5.214979 1.969988 -0.577628
H -2.989517 -0.873426 1.476765
H -3.010237 -1.733829 -0.076499
H -2.373628 0.242745 -1.329529
H -2.077118 1.197930 0.132383
H -0.385667 -1.125058 2.645963
H -0.887546 0.406627 1.862437
H 0.281106 -2.872657 0.885247
H -1.432620 -3.339672 1.064433
H -3.966272 1.120868 1.767839
H -4.276717 2.609449 0.841284
H -5.565716 1.919966 -1.374126
H -3.881142 2.282057 -1.828661
H 0.090494 -2.651815 -1.542843
H -1.682715 -2.917361 -1.493161
H -6.286996 1.937723 2.193689
H -6.316296 0.330433 1.389433
H -6.692388 1.808660 0.461253
H -5.052601 1.016664 -3.650015
H -5.456273 -0.308391 -2.505221
H -3.759147 -0.015138 -2.982266
H 1.953302 -1.888692 2.451932
H 4.322063 -1.325147 1.797972
H 1.909701 2.954056 -0.895919
H -1.129184 -5.109457 -0.649538
H 5.907273 0.237736 0.531166
H 4.234176 3.634756 -1.608565
H 6.219006 2.273415 -0.893933


