%chk=000158622.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158622

0 1
 O   -1.349600       1.225500      0.2150000    
 O   -3.050300       2.392100     -0.8184000    
 N   0.8038000     -0.5390000      -1.210200    
 N    1.696000       1.238600      0.1243000    
 C  -0.5266000       1.381400     -0.9236000    
 C   -1.033200      0.5435000      -2.110400    
 C  -0.4168000     -0.8521000      -1.917000    
 C   0.7812000      0.6976000     -0.6145000    
 C    1.868200      -1.489900      -1.004300    
 C    2.983900     -0.8591000     -0.1976000    
 C    2.854000      0.4495000      0.3262000    
 C    4.154600      -1.591200      4.2399999E-02
 C   -2.608000       1.782900      0.1459000    
 C   -3.368900       1.500500       1.422400    
 C   -3.467400      1.0100000E-02   1.747500    
 C    3.905500      0.9908000       1.075200    
 C   -4.173500     -0.7845000      0.6446000    
 C    5.191700      -1.035300      0.7900000    
 C    5.067500      0.2531000       1.305100    
 C   -4.286200      -2.263800       1.013900    
 C   -5.025900      -3.050600     -5.6299999E-02
 H  -0.3759000       2.438000      -1.166300    
 H  -0.6424000      0.9733000      -3.041600    
 H   -2.120300      0.4752000      -2.197800    
 H   -1.063200      -1.483000      -1.297500    
 H  -0.2322000      -1.346800      -2.875200    
 H    2.259600      -1.817200      -1.974000    
 H    1.484100      -2.362200     -0.4637000    
 H    4.262400      -2.598300     -0.3523000    
 H   -4.374100       1.925300       1.317600    
 H   -2.875100       2.039600       2.238300    
 H   -4.015500     -0.1062000       2.690200    
 H   -2.465300     -0.4049000       1.910500    
 H    3.824700       1.994500       1.485700    
 H   -3.625800     -0.6928000     -0.3003000    
 H   -5.175000     -0.3687000      0.4799000    
 H    6.096700      -1.607600      0.9718000    
 H    5.876300      0.6844000       1.887900    
 H   -3.285400      -2.690400       1.149000    
 H   -4.816500      -2.370900       1.967400    
 H   -6.042900      -2.669000     -0.1915000    
 H   -4.505100      -2.990100      -1.017300    
 H   -5.093600      -4.105400      0.2276000    


%chk=000158622-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158622

0 1
O -1.325311 0.803283 0.224497
O -2.806955 2.463828 -0.477585
N 1.088093 -0.655508 -1.239598
N 1.788884 1.237975 0.102496
C -0.475067 1.084896 -0.980528
C -0.911686 0.196693 -2.168789
C -0.094610 -1.112873 -1.990392
C 0.915390 0.584144 -0.636207
C 2.223969 -1.532961 -0.924933
C 3.312382 -0.738099 -0.197986
C 3.041745 0.577207 0.294891
C 4.581102 -1.315824 0.015197
C -2.474061 1.599828 0.365134
C -3.200588 1.269655 1.658266
C -3.568540 -0.230565 1.804210
C 4.058992 1.273407 0.997286
C -4.536243 -0.735892 0.711130
C 5.589102 -0.615033 0.717102
C 5.322150 0.684601 1.209872
C -4.950983 -2.211024 0.914252
C -5.904606 -2.725043 -0.185837
H -0.514869 2.164303 -1.188630
H -0.633315 0.695418 -3.113645
H -1.999700 0.029750 -2.175767
H -0.657084 -1.878316 -1.415185
H 0.203916 -1.560185 -2.957183
H 2.624755 -1.969992 -1.863760
H 1.881083 -2.390004 -0.298318
H 4.787227 -2.324294 -0.367338
H -4.105984 1.900006 1.691479
H -2.543150 1.567604 2.497655
H -4.034003 -0.374487 2.799594
H -2.640523 -0.832243 1.791287
H 3.825352 2.278737 1.361650
H -4.061523 -0.625794 -0.286553
H -5.443841 -0.097600 0.693457
H 6.569048 -1.077534 0.877262
H 6.096842 1.235197 1.755030
H -4.040917 -2.844662 0.945553
H -5.436691 -2.318045 1.905730
H -6.832161 -2.123048 -0.218353
H -5.430882 -2.661802 -1.183884
H -6.191241 -3.778806 -0.013960


