%chk=000153102.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153102

0 1
 O   -2.009800       3.704100     -0.2551000    
 O   0.5646000      -1.700400      0.3652000    
 O   -3.557700       1.634500     -0.2950000    
 N    2.298900      0.2490000      0.4365000    
 N    4.616000      -1.263800     -0.3398000    
 C  -0.1401000      0.5521000      0.1476000    
 C   -1.219600       1.421000     -2.5599999E-02
 C    1.157900       1.064700      0.2589000    
 C    3.619700      0.7809000      0.5500000    
 C   -1.731400      -1.434900      9.6500002E-02
 C  -0.3566000     -0.9077000      0.2147000    
 C   -2.810800     -0.5661000     -7.6700002E-02
 C   -2.594400      0.8936000     -0.1440000    
 C    4.625100     -0.3413000      0.7625000    
 C   -1.001100       2.802400     -8.7899998E-02
 C    1.371200       2.442100      0.1966000    
 C   0.2941000       3.309000      2.3600001E-02
 C   -1.950100      -2.816500      0.1589000    
 C   -4.108900      -1.078600     -0.1878000    
 C   -3.245300      -3.322900      4.8099998E-02
 C   -4.322400      -2.456000     -0.1252000    
 C    5.554300      -2.375000     -0.1164000    
 C    4.946300     -0.5902000      -1.605500    
 H    3.893600       1.400700     -0.3108000    
 H    3.679400       1.428700       1.434700    
 H    2.168200     -0.7546000      0.4619000    
 H    5.621200      9.4700001E-02  0.9160000    
 H    4.365600     -0.8692000       1.689900    
 H    2.352000       2.899200      0.2791000    
 H   0.4707000       4.380600     -2.3100000E-02
 H   -1.129000      -3.515400      0.2932000    
 H   -4.966400     -0.4251000     -0.3233000    
 H   -3.414400      -4.394800      9.6600004E-02
 H   -5.329700      -2.852900     -0.2114000    
 H    5.300300      -2.910000      0.8054000    
 H    6.591200      -2.028300     -4.1900001E-02
 H    5.487700      -3.104800     -0.9309000    
 H    4.139700      6.8700001E-02  -1.940800    
 H    5.061700      -1.327500      -2.409400    
 H    5.878600     -1.7800000E-02  -1.540100    
 H   -2.865000       3.254000     -0.3234000    


%chk=000153102-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153102

0 1
O -2.238126 3.695780 0.182245
O 0.827595 -1.617845 0.005061
O -3.646401 1.655723 0.024477
N 2.377367 0.495918 0.226179
N 4.542727 -1.273791 -0.265182
C -0.069481 0.627148 0.108287
C -1.249450 1.456630 0.104644
C 1.231582 1.248437 0.197457
C 3.737422 1.030542 0.304544
C -1.572177 -1.409830 -0.060921
C -0.200586 -0.827702 0.019888
C -2.734907 -0.581609 -0.059748
C -2.590790 0.881383 0.022941
C 4.719684 -0.115327 0.631921
C -1.138412 2.880772 0.181624
C 1.298996 2.692400 0.259212
C 0.155554 3.481720 0.253415
C -1.723662 -2.817005 -0.143428
C -4.025624 -1.166860 -0.140553
C -3.006830 -3.391142 -0.222784
C -4.162206 -2.564393 -0.221569
C 5.096520 -2.526986 0.283257
C 4.964354 -1.026316 -1.657441
H 4.023726 1.530347 -0.646318
H 3.820438 1.792635 1.105308
H 2.259964 -0.533836 0.105601
H 5.760090 0.300032 0.610559
H 4.523998 -0.460536 1.664371
H 2.277210 3.179255 0.304912
H 0.214810 4.573032 0.299737
H -0.817088 -3.429814 -0.143428
H -4.895252 -0.502661 -0.138262
H -3.115737 -4.479391 -0.285831
H -5.158110 -3.015846 -0.284048
H 4.663354 -2.720817 1.280192
H 6.211350 -2.517255 0.380678
H 4.819619 -3.369408 -0.374759
H 4.420329 -0.163260 -2.078318
H 4.715626 -1.906677 -2.275144
H 6.061999 -0.829396 -1.755980
H -3.074176 3.052149 0.119003


