%chk=000176804.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176804

0 1
 O  -0.4132000      -1.748500     -0.4029000    
 O    3.557100       1.226500     -3.2299999E-02
 N   0.8118000      0.6892000      0.1870000    
 N    2.747200       1.166600      -1.152400    
 C   -2.574300     -0.7446000     -0.2281000    
 C   -1.184100     -0.6472000     -0.1701000    
 C   -2.761300       1.604200      0.3060000    
 C  -0.5825000      0.5760000      0.1256000    
 C   -3.362900      0.3811000      1.0100000E-02
 C   -1.371000       1.701700      0.3637000    
 C   -3.237000      -2.045400     -0.5423000    
 C   -3.604400       2.807700      0.5606000    
 C  -7.9899997E-02  -2.553900      0.7249000    
 C   0.7600000      -3.725600      0.2630000    
 C    1.410200      0.9956000     -0.9224000    
 C    4.482400      0.1526000     -0.1465000    
 C    5.401900      0.1639000       1.056100    
 H   -4.447200      0.3070000     -3.0200001E-02
 H  -0.9001000       2.654000      0.5969000    
 H   -2.703300      -2.581600      -1.334200    
 H   -3.280300      -2.674900      0.3517000    
 H   -4.261200      -1.894900     -0.9017000    
 H   -3.084200       3.725200      0.2646000    
 H   -4.534600       2.767400     -1.6300000E-02
 H   -3.853400       2.873700       1.624300    
 H   0.4870000      -1.960000       1.451000    
 H  -0.9906000      -2.922200       1.209600    
 H    1.036500      -4.365100       1.105900    
 H   0.2129000      -4.325600     -0.4717000    
 H    1.673300      -3.374500     -0.2288000    
 H   0.8369000       1.140200      -1.856400    
 H    3.140600       1.474200      -2.035300    
 H    3.944300     -0.8023000     -0.1860000    
 H    5.076300      0.2664000      -1.061400    
 H    6.128500     -0.6515000       1.000600    
 H    5.941700       1.114500       1.120100    
 H    4.826500      6.1799999E-02   1.982100    


%chk=000176804-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176804

0 1
O -0.504941 -1.793576 -0.985477
O 3.811482 0.994694 -0.610100
N 0.990398 0.634493 -0.290897
N 3.004634 0.101932 -1.416774
C -2.571750 -0.709489 -0.212521
C -1.172312 -0.658337 -0.431785
C -2.499049 1.620953 0.618929
C -0.415002 0.522343 -0.138598
C -3.219309 0.443928 0.297852
C -1.102958 1.640598 0.399628
C -3.359283 -1.966750 -0.537791
C -3.206814 2.833554 1.201677
C -0.031175 -2.761767 0.039803
C 0.691787 -3.886813 -0.697116
C 1.620057 0.104798 -1.306502
C 4.029451 0.413282 0.751823
C 4.925272 1.414613 1.477404
H -4.306221 0.418227 0.447452
H -0.509642 2.531005 0.635449
H -2.877349 -2.530939 -1.353961
H -3.425887 -2.641689 0.338537
H -4.392358 -1.717877 -0.837035
H -2.837536 3.772748 0.751590
H -4.297344 2.782388 1.037118
H -3.039173 2.907930 2.293841
H 0.643196 -2.235587 0.745824
H -0.903994 -3.143049 0.608262
H 1.052753 -4.646495 0.020180
H 0.013834 -4.378724 -1.416031
H 1.559782 -3.491457 -1.253066
H 1.140757 -0.435340 -2.142183
H 3.436385 -0.031300 -2.334749
H 3.044512 0.306306 1.239995
H 4.509453 -0.579366 0.644024
H 5.130007 1.057635 2.503029
H 5.888263 1.540826 0.952625
H 4.429673 2.398004 1.544342


