%chk=000104430.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104430

0 1
 O   -2.569600      -1.234200      0.3301000    
 N    2.737200      0.4375000     -0.1892000    
 N  -0.8319000     -1.9700000E-02 -0.6246000    
 C   0.9880000      -1.115500      0.6281000    
 C    1.804400      0.1526000      0.8943000    
 C   0.1493000      -1.069700     -0.6475000    
 C    3.690400     -0.6619000     -0.3515000    
 C    3.448300       1.692900      5.9099998E-02
 C   -2.122900     -0.1884000     -0.1334000    
 C   -2.935100       1.089600     -0.2324000    
 C   -4.358100      0.9168000      0.2669000    
 H    1.625300      -2.006500      0.6180000    
 H   0.3126000      -1.255600       1.483000    
 H    2.333000      3.9400000E-02   1.850300    
 H    1.112600      0.9951000       1.019400    
 H   0.7745000     -0.9180000      -1.532900    
 H  -0.3664000      -2.028600     -0.7720000    
 H  -0.5565000      0.8909000     -0.9811000    
 H    3.214100      -1.562400     -0.7505000    
 H    4.202400     -0.9124000      0.5848000    
 H    4.456700     -0.3944000      -1.089100    
 H    4.110100       1.933600     -0.7803000    
 H    4.050500       1.653200      0.9741000    
 H    2.740800       2.525100      0.1469000    
 H   -2.430900       1.866100      0.3540000    
 H   -2.950300       1.411900      -1.279800    
 H   -4.371500      0.6111000       1.318300    
 H   -4.910500       1.857200      0.1771000    
 H   -4.887400      0.1522000     -0.3114000    


%chk=000104430-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104430

0 1
O -2.652378 -1.148756 0.590140
N 2.291495 0.477513 -0.161653
N -0.634212 -0.268848 -0.172416
C 1.222970 -1.548406 0.951511
C 1.947489 -0.192033 1.123692
C 0.114364 -1.530943 -0.137341
C 3.265204 -0.292292 -0.969091
C 2.765847 1.863187 0.063299
C -1.960126 -0.154961 0.200089
C -2.542768 1.264846 0.126509
C -3.938455 1.272037 -0.535771
H 1.942865 -2.352879 0.704552
H 0.778880 -1.810351 1.930555
H 2.854847 -0.340550 1.763328
H 1.278401 0.496438 1.674016
H 0.568336 -1.691801 -1.133581
H -0.615296 -2.339058 0.042382
H -0.087297 0.544995 -0.472818
H 2.870554 -1.297863 -1.190584
H 4.252346 -0.412601 -0.456462
H 3.437573 0.224238 -1.930055
H 2.938083 2.360563 -0.907924
H 3.717729 1.911062 0.649080
H 1.999103 2.436926 0.614593
H -2.634820 1.635786 1.166681
H -1.852429 1.949372 -0.403357
H -4.589182 0.536518 -0.033474
H -4.405158 2.270855 -0.463766
H -3.874866 0.994906 -1.603431


