%chk=000118057.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118057

0 1
 O  -0.8196000      -1.103400     -0.1649000    
 N  -0.3222000       2.078300      -1.135800    
 N   7.3500000E-02   1.291600       1.086600    
 C   0.1902000     -0.2832000     -0.7175000    
 C  -3.4499999E-02   1.114500     -0.1920000    
 C   0.1938000       3.723900      0.5398000    
 C  -0.5439000       3.457000     -0.7650000    
 C  -0.1748000       2.659600       1.571300    
 C    1.555000     -0.7833000     -0.3412000    
 C   -2.122600     -0.6448000     -0.5109000    
 C   -3.153300      -1.572800      0.1164000    
 C   -4.577800      -1.147800     -0.2281000    
 C    2.629600     -0.5552000      -1.192900    
 C    1.730600      -1.469500      0.8546000    
 C   -5.602500      -2.101900      0.3644000    
 C    3.897600      -1.019700     -0.8436000    
 C    2.998600      -1.934100       1.203900    
 C    4.082100      -1.709200      0.3549000    
 H   9.1399997E-02 -0.3091000      -1.810400    
 H  -5.1399998E-02   4.722100      0.9177000    
 H    1.276700       3.696500      0.3623000    
 H   -1.618200       3.630500     -0.6397000    
 H  -0.1830000       4.123300      -1.554700    
 H   0.4220000       2.818000       2.476000    
 H   -1.228900       2.749200       1.858800    
 H  -0.4091000       1.835700      -2.118200    
 H   -2.233400     -0.6443000      -1.601700    
 H   -2.312800      0.3648000     -0.1333000    
 H   -3.014200      -1.590000       1.204700    
 H   -2.970300      -2.599300     -0.2253000    
 H   -4.705000      -1.117200      -1.316500    
 H   -4.766500     -0.1361000      0.1491000    
 H    2.497800     -1.7300000E-02  -2.127700    
 H   0.9058000      -1.650400       1.538000    
 H   -5.462300      -3.117000     -2.0600000E-02
 H   -5.523300      -2.134000       1.455700    
 H   -6.615700      -1.777900      0.1065000    
 H    4.741500     -0.8439000      -1.504300    
 H    3.143000      -2.469100       2.138000    
 H    5.069600      -2.070200      0.6272000    


%chk=000118057-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000118057

0 1
O -1.001065 -0.990324 -0.142758
N 0.471773 2.321446 -1.027729
N -0.737706 1.629974 0.944477
C -0.043035 -0.071143 -0.737856
C -0.142848 1.379178 -0.198003
C 0.516975 3.837530 0.914666
C 0.599374 3.735740 -0.625427
C -0.711791 3.042107 1.419013
C 1.346696 -0.636274 -0.459654
C -2.414511 -0.653906 -0.406140
C -3.256025 -1.826349 0.105494
C -4.771385 -1.596173 -0.100698
C 2.249557 -0.913173 -1.512735
C 1.740446 -0.879147 0.880275
C -5.623123 -2.778451 0.409906
C 3.541586 -1.418459 -1.234514
C 3.026140 -1.389632 1.157829
C 3.932453 -1.656593 0.102460
H -0.207318 -0.021087 -1.842480
H 0.455058 4.898096 1.219706
H 1.434587 3.406588 1.357236
H -0.207143 4.342570 -1.086556
H 1.564043 4.133994 -0.991191
H -0.731719 3.023866 2.523689
H -1.646117 3.548221 1.095055
H 1.000359 1.989919 -1.835208
H -2.565388 -0.509008 -1.501619
H -2.668467 0.285541 0.121781
H -3.040439 -1.969614 1.181906
H -2.939971 -2.753587 -0.411151
H -4.977571 -1.430993 -1.178483
H -5.076663 -0.666768 0.421837
H 1.937980 -0.756194 -2.554022
H 1.027099 -0.668728 1.683873
H -5.359567 -3.713280 -0.119783
H -5.455341 -2.947740 1.490105
H -6.703006 -2.595460 0.258800
H 4.233783 -1.634259 -2.056359
H 3.324906 -1.581726 2.194783
H 4.930882 -2.052402 0.321073


