%chk=000041940.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041940

0 1
 O    2.219300       1.506600       1.174300    
 N    2.526400      0.4033000     -0.8567000    
 C  -0.4250000     -0.1198000      0.3555000    
 C   -1.886300     -0.2283000      0.1360000    
 C   0.3069000      0.9243000     -9.5799997E-02
 C   0.1497000      -1.265800       1.149400    
 C   -2.348000     -0.8651000     -0.9998000    
 C   -2.746800      0.3103000       1.073000    
 C  -0.2284000       2.104300     -0.8544000    
 C    1.783000      0.9963000      0.1471000    
 C   -3.723600     -0.9670000      -1.206700    
 C   -4.122500      0.2083000      0.8661000    
 C   -4.610800     -0.4304000     -0.2738000    
 C    3.967400      0.3070000     -0.8192000    
 C    4.392500     -0.9344000     -0.1650000    
 C    4.746200      -1.949500      0.3698000    
 H    1.218500      -1.162400       1.354700    
 H   1.4900000E-02  -2.209100      0.6082000    
 H  -0.3533000      -1.351900       2.119100    
 H   -1.666000      -1.286600      -1.733000    
 H   -2.377600      0.8101000       1.964400    
 H   0.2325000       2.156200      -1.846700    
 H   4.4000000E-03   3.032000     -0.3204000    
 H   -1.311400       2.077700     -0.9992000    
 H   -4.104000      -1.464200      -2.094300    
 H   -4.813400      0.6262000       1.592400    
 H    2.046800     -1.1200000E-02  -1.651200    
 H   -5.682000     -0.5097000     -0.4349000    
 H    4.322700      0.3386000      -1.853700    
 H    4.372500       1.176300     -0.2909000    
 H    5.059200      -2.850000      0.8443000    


%chk=000041940-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041940

0 1
O 2.303509 2.185513 0.477859
N 2.563761 0.174845 -0.663111
C -0.396040 -0.095516 0.178563
C -1.894205 -0.190647 0.040752
C 0.286414 1.016027 -0.246141
C 0.224717 -1.296986 0.881223
C -2.477440 -0.879432 -1.054681
C -2.748321 0.358686 1.033162
C -0.371756 2.255116 -0.827284
C 1.783357 1.171812 -0.086573
C -3.881286 -1.007138 -1.162041
C -4.151935 0.231766 0.926958
C -4.723580 -0.452299 -0.170967
C 4.034343 0.189539 -0.563472
C 4.582929 -1.056017 0.008583
C 5.047938 -2.102507 0.465655
H 1.296646 -1.169688 1.099761
H 0.091805 -2.220120 0.282251
H -0.304244 -1.475716 1.836770
H -1.829780 -1.307077 -1.829469
H -2.308169 0.892520 1.883663
H -0.020120 2.444758 -1.860125
H -0.083990 3.137629 -0.227274
H -1.469201 2.170334 -0.843667
H -4.315944 -1.536160 -2.017840
H -4.797269 0.666903 1.698502
H 2.106059 -0.603790 -1.138907
H -5.811721 -0.550789 -0.253726
H 4.488462 0.369252 -1.558104
H 4.283167 1.060091 0.073062
H 5.455694 -3.008810 0.875217


