%chk=000015957.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015957

0 1
 O   -4.261500       2.137300     -0.1905000    
 O   -3.676400      -2.407100      6.3199997E-02
 N   -2.144400       1.249200      2.0199999E-02
 N   -3.991100     -0.1521000     -6.3500002E-02
 N   -1.815000      -1.081800      0.1570000    
 C    2.451800     -0.1847000     -0.1074000    
 C   -1.353200      0.1279000      0.1380000    
 C    1.001400     -0.4278000     -0.1972000    
 C   8.5299999E-02  0.4194000      0.2413000    
 C    2.913600       1.110500      6.2899999E-02
 C    3.326300      -1.255900     -0.1943000    
 C   -3.523900       1.158400     -8.6800002E-02
 C    4.286700       1.340800      0.1486000    
 C    4.699400      -1.025800     -0.1085000    
 C    5.179500      0.2726000      6.2799998E-02
 C   -3.178400      -1.280700      5.4400001E-02
 H   0.7101000      -1.370700     -0.6538000    
 H   0.3298000       1.359800      0.7235000    
 H   -1.724200       2.174400      8.8999998E-03
 H    2.261300       1.976600      0.1095000    
 H    2.967600      -2.273200     -0.3264000    
 H   -4.993600     -0.2980000     -0.1382000    
 H    4.661600       2.352100      0.2761000    
 H    5.394800      -1.857400     -0.1753000    
 H    6.248700      0.4520000      0.1281000    


%chk=000015957-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015957

0 1
O -4.530132 2.049068 0.141284
O -3.576246 -2.523597 -0.241779
N -2.306835 1.298952 0.084284
N -4.046405 -0.248928 -0.049380
N -1.758362 -1.028761 -0.110337
C 2.468723 -0.114737 -0.013942
C -1.383171 0.245692 -0.001493
C 1.020222 -0.330544 -0.040353
C 0.032908 0.618307 0.036366
C 3.070106 1.174122 0.103618
C 3.320908 -1.253903 -0.109868
C -3.709492 1.101753 0.064234
C 4.470150 1.312639 0.124173
C 4.723483 -1.114724 -0.089205
C 5.303484 0.169688 0.027904
C -3.126462 -1.357334 -0.141524
H 0.671192 -1.369313 -0.131392
H 0.266465 1.686434 0.128390
H -1.997458 2.269894 0.168064
H 2.442795 2.069172 0.179855
H 2.870625 -2.249649 -0.200658
H -5.044315 -0.477337 -0.071377
H 4.919005 2.307721 0.215223
H 5.362034 -2.001214 -0.163768
H 6.392976 0.282398 0.044281


