%chk=000072768.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072768

0 1
 O  -0.2183000     -4.9400002E-02  -1.365500    
 N   -2.414700      0.1618000      0.3335000    
 N    2.268700      5.9000000E-02 -0.2955000    
 N   -1.147000      0.5311000      0.6865000    
 C    1.216400      0.8505000      0.3409000    
 C   -2.935700      -1.081900      0.5136000    
 C   -3.327300      0.9881000     -0.2458000    
 C    2.076000      -1.364000     -1.8800000E-02
 C    3.586100      0.4955000      0.1654000    
 C  -0.1109000      0.3931000     -0.2227000    
 C   -4.227200      -1.056800      3.5200000E-02
 C   -4.475000      0.2529000     -0.4451000    
 C   -2.175700      -2.194800       1.121300    
 C   -3.046000       2.403900     -0.5651000    
 C    3.105800      -2.204700     -0.7086000    
 C    3.811000       1.951300     -0.1058000    
 C    3.973500      -2.998100     -7.0200004E-02
 C    4.040200       2.862700      0.8464000    
 H    1.229400      0.7431000       1.432700    
 H    1.280900       1.916100      9.4300002E-02
 H   -1.031400      0.9051000       1.622900    
 H    1.113600      -1.742700     -0.3765000    
 H    2.092100      -1.551500       1.064100    
 H    4.385600     -2.9700000E-02 -0.3704000    
 H    3.720500      0.2789000       1.234100    
 H   -4.917500      -1.889000      3.0900000E-02
 H   -5.391800      0.6170000     -0.8880000    
 H   -2.810100      -3.077700       1.252500    
 H   -1.332300      -2.482100      0.4853000    
 H   -1.789400      -1.914700       2.106800    
 H   -3.936000       2.900300     -0.9656000    
 H   -2.734100       2.952600      0.3296000    
 H   -2.253700       2.483200      -1.316500    
 H    3.136700      -2.170300      -1.795000    
 H    3.795100       2.277800      -1.142900    
 H    4.692900      -3.586700     -0.6290000    
 H    3.983800      -3.073800       1.011400    
 H    4.200000       3.902700      0.5838000    
 H    4.070600       2.591900       1.895900    


%chk=000072768-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072768

0 1
O -0.240313 -0.230111 -1.245737
N -2.554035 0.119845 0.362482
N 2.359287 -0.034724 0.058950
N -1.245246 0.341674 0.786025
C 1.175443 0.610972 0.624232
C -3.233996 -1.114341 0.480126
C -3.366427 1.087286 -0.272218
C 2.400518 -1.506522 0.240269
C 3.626431 0.656506 0.400705
C -0.138595 0.181635 -0.064989
C -4.501997 -0.909530 -0.067305
C -4.583941 0.456024 -0.534465
C -2.581477 -2.327733 1.073655
C -2.867751 2.469929 -0.571717
C 3.364665 -2.166447 -0.723394
C 3.703389 2.036032 -0.220694
C 4.321165 -3.061828 -0.372479
C 4.035716 3.170672 0.445052
H 1.071729 0.450420 1.733674
H 1.280902 1.704438 0.479170
H -1.110789 0.646937 1.754402
H 1.384762 -1.889107 0.021326
H 2.651501 -1.800512 1.290949
H 4.446296 0.032002 -0.005399
H 3.792286 0.728692 1.506094
H -5.282743 -1.666017 -0.134200
H -5.437913 0.924822 -1.021555
H -3.290180 -3.171738 1.049670
H -1.680947 -2.628054 0.503976
H -2.275147 -2.177242 2.127682
H -3.674454 3.055468 -1.042366
H -2.544959 3.013287 0.337997
H -2.010854 2.453173 -1.272414
H 3.220900 -1.884265 -1.776037
H 3.479333 2.068507 -1.296900
H 4.963624 -3.537896 -1.121445
H 4.483065 -3.350696 0.674194
H 4.110755 4.135843 -0.068009
H 4.254798 3.163300 1.520793


