%chk=000058073.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058073

0 1
 O   0.9528000     -0.3614000      0.1537000    
 O  -0.7536000      -1.384800     -0.9934000    
 N   -4.751400      0.4781000      0.4702000    
 N   -1.137600     -0.2212000      0.9777000    
 C   -5.526500       1.539200     -0.1724000    
 C   -5.183600     -0.7568000     -0.1835000    
 C   -6.916500      0.9294000     -0.2794000    
 C   -6.691500     -0.5795000     -0.2831000    
 C   -3.316300      0.6929000      0.3586000    
 C   -2.558500     -0.4198000       1.067600    
 C  -0.3510000     -0.7195000     -4.4799998E-02
 C    1.882500     -0.8140000     -0.8371000    
 C    3.257900     -0.3387000     -0.4716000    
 C    4.070400      -1.133300      0.3293000    
 C    3.707100      0.8917000     -0.9372000    
 C    5.806900      0.5416000      0.2054000    
 C    5.349100     -0.6917000      0.6689000    
 C    4.985900       1.333400     -0.5977000    
 C    7.173700       1.014200      0.5689000    
 H   -5.146000       1.770600      -1.175600    
 H   -5.535000       2.460500      0.4185000    
 H   -4.949700      -1.655100      0.3959000    
 H   -4.754900     -0.8609000      -1.188700    
 H   -7.532600       1.210300      0.5829000    
 H   -7.433000       1.264500      -1.184500    
 H   -7.091800      -1.046700      -1.188600    
 H   -7.195700      -1.031000      0.5794000    
 H   -3.000000      0.7550000     -0.6913000    
 H   -3.051700       1.652000      0.8225000    
 H   -2.813900     -0.4470000       2.132800    
 H   -2.776400      -1.403600      0.6404000    
 H  -0.6827000      0.3233000       1.704200    
 H    1.861700      -1.909700     -0.8908000    
 H    1.594800     -0.4223000      -1.820800    
 H    3.723100      -2.094900      0.6970000    
 H    3.075200       1.517000      -1.561900    
 H    5.979800      -1.318100       1.294100    
 H    5.331800       2.295600     -0.9661000    
 H    7.898900      0.6766000     -0.1782000    
 H    7.476300      0.6317000       1.549700    
 H    7.211800       2.107400      0.6263000    


%chk=000058073-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058073

0 1
O 0.953779 1.307362 -1.437862
O -0.068161 -0.761287 -0.907338
N -4.587005 0.449059 0.424395
N -0.931881 1.298755 -0.172097
C -5.894946 0.860163 -0.149609
C -4.665908 -1.033555 0.561334
C -6.906194 0.022825 0.662935
C -6.149030 -1.317163 0.945792
C -3.410828 0.946337 -0.309851
C -2.112113 0.754351 0.510062
C -0.032050 0.496990 -0.834713
C 2.076169 0.561872 -2.102650
C 3.214859 0.288442 -1.144974
C 3.202100 -0.865193 -0.318163
C 4.312163 1.179130 -1.048862
C 5.362926 -0.223838 0.681516
C 4.259224 -1.112251 0.581679
C 5.369622 0.927142 -0.147119
C 6.511820 -0.513542 1.632381
H -5.970997 0.608979 -1.239563
H -6.042462 1.949745 -0.040192
H -3.954387 -1.396461 1.323538
H -4.410548 -1.538032 -0.404951
H -7.137130 0.537305 1.611546
H -7.852756 -0.130092 0.115985
H -6.552895 -2.148662 0.342134
H -6.242828 -1.602886 2.007099
H -3.284836 0.443645 -1.303707
H -3.556818 2.027209 -0.504037
H -2.235437 1.240357 1.495472
H -1.920302 -0.318784 0.677210
H -0.768931 2.305872 -0.196442
H 1.657683 -0.372513 -2.515323
H 2.377860 1.242391 -2.914600
H 2.348904 -1.550468 -0.377029
H 4.336593 2.077554 -1.678358
H 4.230958 -2.007124 1.215819
H 6.210285 1.629158 -0.086297
H 7.207659 -1.258845 1.200078
H 6.148715 -0.925574 2.591087
H 7.096923 0.396626 1.850976


