%chk=000068738.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068738

0 1
 O    2.506400     -0.2269000      0.1057000    
 N   -2.484100      -1.327500      9.5700003E-02
 N   -1.613600       1.900300     -0.5676000    
 C  -0.4054000     -7.7000000E-02  0.1519000    
 C   0.5080000      0.7668000       1.066900    
 C   0.3782000      -1.315700     -0.3325000    
 C   -1.643900     -0.5319000      0.9442000    
 C  -0.8893000      0.7595000      -1.048200    
 C    1.882700       1.008200      0.4513000    
 C    1.760900     -0.9557000     -0.8674000    
 H   0.6680000      0.1992000       1.995000    
 H   5.8100000E-02   1.714200       1.378200    
 H  -0.1615000      -1.861100      -1.115100    
 H   0.5136000      -2.004500      0.5122000    
 H   -2.209700      0.3180000       1.342100    
 H   -1.344200      -1.127600       1.815300    
 H   -1.526000      0.1719000      -1.719200    
 H  -5.2999999E-02   1.103700      -1.665300    
 H    1.830900       1.655300     -0.4310000    
 H    2.527900       1.508300       1.181100    
 H    2.317700      -1.871600      -1.091000    
 H    1.705400     -0.3776000      -1.796200    
 H   -3.351000      -1.549900      0.5837000    
 H   -2.047600      -2.225900     -0.1042000    
 H   -2.075000       2.365600      -1.348800    
 H  -0.9758000       2.595200     -0.1829000    


%chk=000068738-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068738

0 1
O 2.606299 -0.195132 0.104257
N -2.509247 -1.469429 0.155106
N -1.502357 2.046331 -0.614812
C -0.387179 -0.093425 0.154064
C 0.523157 0.714718 1.120019
C 0.419756 -1.317346 -0.372761
C -1.638819 -0.579552 0.947371
C -0.887579 0.773381 -1.044463
C 1.897702 1.034972 0.506381
C 1.820828 -0.940467 -0.896028
H 0.690456 0.117642 2.039243
H 0.009889 1.647750 1.424809
H -0.146302 -1.826033 -1.179184
H 0.544478 -2.043665 0.456895
H -2.217590 0.324726 1.213397
H -1.290026 -1.048057 1.898510
H -1.665746 0.167192 -1.545042
H -0.063048 0.923878 -1.777349
H 1.797252 1.706385 -0.377042
H 2.565866 1.518626 1.239044
H 2.421315 -1.841231 -1.109958
H 1.747782 -0.338369 -1.828525
H -3.508515 -1.381513 0.349563
H -2.207425 -2.446029 0.114927
H -2.299926 2.347347 -1.178946
H -0.843319 2.810601 -0.445576


