%chk=000085815.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085815

0 1
 O   -4.470200     -0.7585000     -7.2300002E-02
 N    1.819700      2.3200000E-02  0.1033000    
 N    1.227000       3.377000      0.5123000    
 C    1.630900      -1.319900     -0.4624000    
 C    3.203800      0.4847000     -7.4100003E-02
 C    2.569400      -2.332600      0.1953000    
 C    4.193700     -0.4691000      0.5966000    
 C    4.025200      -1.894300      8.2800001E-02
 C   0.8833000      0.9697000     -0.5023000    
 C  -0.5561000      0.5048000     -0.3865000    
 C    1.075300       2.315800      6.7400001E-02
 C   -1.272600      0.2453000      -1.539400    
 C   -1.113900      0.3530000      0.8690000    
 C   -2.596200     -0.1819000      -1.433000    
 C   -2.437300     -7.4299999E-02  0.9755000    
 C   -3.178600     -0.3419000     -0.1756000    
 C   -5.003300     -0.9011000       1.243500    
 H    1.801900      -1.315700      -1.547400    
 H   0.6183000      -1.700600     -0.2928000    
 H    3.370900       1.464600      0.3859000    
 H    3.453000      0.5772000      -1.139800    
 H    2.443200      -3.314700     -0.2745000    
 H    2.303000      -2.447600       1.253800    
 H    4.042300     -0.4520000       1.683400    
 H    5.219200     -0.1296000      0.4114000    
 H    4.668800      -2.577100      0.6484000    
 H    4.342900      -1.945400     -0.9658000    
 H    1.123300       1.054900      -1.573300    
 H  -0.8311000      0.3645000      -2.524200    
 H  -0.5480000      0.5554000       1.773800    
 H   -3.168500     -0.3889000      -2.333100    
 H   -2.827100     -0.1780000       1.982300    
 H   -4.471500      -1.671900       1.811700    
 H   -6.039200      -1.239700       1.137600    
 H   -5.032900      5.7900000E-02   1.771700    


%chk=000085815-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085815

0 1
O -4.611438 -0.620205 -0.004660
N 1.873882 -0.013989 -0.005627
N 1.171580 3.421747 0.226801
C 1.772947 -1.387677 -0.575700
C 3.279052 0.483498 -0.057612
C 2.663966 -2.370160 0.209365
C 4.213582 -0.443433 0.744489
C 4.134541 -1.895816 0.223098
C 0.909190 0.912098 -0.676425
C -0.550219 0.479620 -0.474137
C 1.079287 2.297492 -0.161847
C -1.437352 0.391955 -1.574638
C -1.034650 0.193059 0.822227
C -2.782254 0.022733 -1.387843
C -2.379304 -0.182042 1.027856
C -3.257804 -0.264126 -0.083679
C -5.162655 -0.907180 1.322827
H 2.079774 -1.390301 -1.655631
H 0.719005 -1.711255 -0.531089
H 3.307933 1.503551 0.364397
H 3.639790 0.545813 -1.118314
H 2.579988 -3.376483 -0.243819
H 2.286392 -2.437704 1.247965
H 3.912742 -0.412994 1.809432
H 5.248845 -0.057822 0.678555
H 4.753907 -2.566982 0.847292
H 4.546029 -1.940313 -0.806779
H 1.102713 0.968188 -1.781775
H -1.076681 0.615213 -2.586129
H -0.344410 0.253613 1.670630
H -3.478684 -0.049231 -2.228382
H -2.728109 -0.399995 2.041567
H -4.658409 -1.775832 1.789172
H -6.222070 -1.144330 1.147265
H -5.082503 -0.027510 1.990348


