%chk=000076106.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076106

0 1
 O  -0.3829000      -1.053500      0.3948000    
 N    1.688600     -2.8500000E-02  0.6979000    
 N  -0.3630000       1.205800      0.2161000    
 C    4.120700     -4.7400001E-02 -0.8292000    
 C    3.363800       1.249900     -0.5351000    
 C    3.188100      -1.260100     -0.7917000    
 C    2.561100       1.149400      0.7657000    
 C    2.395900      -1.299100      0.5150000    
 C   0.3299000      0.1081000      0.4337000    
 C   -1.656200     -0.6417000      0.1235000    
 C   -1.640200      0.7410000      1.5000000E-02
 C   -2.787800      -1.434300     -2.3800001E-02
 C   -2.839300       1.413000     -0.2629000    
 C   -3.975400     -0.7488000     -0.3007000    
 C   -4.003300      0.6463000     -0.4184000    
 H    4.605100      1.8800000E-02  -1.809600    
 H    4.916500     -0.1787000     -8.5600004E-02
 H    4.070300       2.084700     -0.4711000    
 H    2.683400       1.464900      -1.368700    
 H    2.495100      -1.208900      -1.640700    
 H    3.771300      -2.180700     -0.9027000    
 H    3.242700       1.044200       1.618600    
 H    1.990700       2.070800      0.9293000    
 H    1.718900      -2.160300      0.5128000    
 H    3.080600      -1.450000       1.358900    
 H   -2.755600      -2.512600      6.9200002E-02
 H   -2.872500       2.493400     -0.3561000    
 H   -4.897000      -1.311900     -0.4273000    
 H   -4.944700       1.145400     -0.6343000    


%chk=000076106-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000076106

0 1
O -0.447718 -1.122961 0.091938
N 1.646380 0.005085 0.265941
N -0.459264 1.216944 0.188810
C 4.434330 -0.083138 -0.546629
C 3.618089 1.229861 -0.621867
C 3.507889 -1.310305 -0.722531
C 2.469314 1.227600 0.409885
C 2.357875 -1.290255 0.310666
C 0.290507 0.111147 0.191565
C -1.800596 -0.680427 0.018040
C -1.793884 0.744174 0.077665
C -2.953442 -1.458476 -0.093515
C -3.018291 1.440693 0.022250
C -4.179519 -0.742872 -0.147878
C -4.205885 0.676331 -0.090784
H 5.227135 -0.088064 -1.317517
H 4.942068 -0.144616 0.438646
H 4.268561 2.104923 -0.433050
H 3.191757 1.345974 -1.637033
H 3.076793 -1.308073 -1.742453
H 4.078823 -2.251038 -0.604737
H 2.889580 1.257528 1.438569
H 1.804681 2.097127 0.286311
H 1.635476 -2.098502 0.121126
H 2.774647 -1.436609 1.331141
H -2.918693 -2.550518 -0.136541
H -3.041380 2.533328 0.065526
H -5.119240 -1.298354 -0.235225
H -5.171193 1.192694 -0.135724


