%chk=000035446.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035446

0 1
 O   -4.497500       1.984400     -0.3758000    
 O   -2.133900      -1.780300     -0.2652000    
 N   -2.691200      0.1757000      0.8552000    
 C   0.5993000     -0.6206000     -0.4176000    
 C    1.966600     -0.1089000     -0.1465000    
 C   -4.123300     -2.0099999E-02  0.8744000    
 C  -0.3958000     -0.2904000      0.4283000    
 C    2.817300     -0.8617000      0.6371000    
 C    2.344200       1.103600     -0.6861000    
 C   0.4563000      -1.485000      -1.641000    
 C   -1.814700     -0.7307000      0.2815000    
 C   -4.764900      0.5883000     -0.3624000    
 C    4.101700     -0.3808000      0.8918000    
 C    3.628600       1.584300     -0.4313000    
 C    4.507300      0.8421000      0.3577000    
 H   -4.494000      0.4711000       1.779800    
 H   -4.345800      -1.090200      0.9328000    
 H  -0.1893000      0.3584000       1.277500    
 H   -2.331000       1.025500       1.280200    
 H  -0.5250000      -1.376000      -2.111900    
 H    1.191700      -1.211700      -2.406400    
 H   0.6128000      -2.537400      -1.383300    
 H    2.511900      -1.815800       1.057400    
 H    1.668000       1.689400      -1.302600    
 H   -5.848600      0.4395000     -0.3421000    
 H   -4.359200      0.1478000      -1.278800    
 H    4.786100     -0.9588000       1.506000    
 H    3.944600       2.536400     -0.8473000    
 H    5.507400       1.216400      0.5559000    
 H   -4.921900       2.348100      -1.171500    


%chk=000035446-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000035446

0 1
O -4.663134 1.654925 1.536273
O -2.197343 -1.525673 -1.281244
N -2.784693 -0.102040 0.458828
C 0.704192 -0.633037 -0.740690
C 2.025258 -0.096185 -0.286099
C -4.217229 -0.383184 0.355100
C -0.447991 -0.243499 -0.098322
C 2.247767 0.313018 1.061653
C 3.116860 0.001819 -1.195126
C 0.706785 -1.580147 -1.927089
C -1.840915 -0.690442 -0.380931
C -5.020467 0.918218 0.304665
C 3.495404 0.823730 1.473443
C 4.365477 0.516990 -0.785982
C 4.561896 0.934652 0.549909
H -4.558402 -0.982420 1.222654
H -4.370703 -0.980396 -0.560508
H -0.361079 0.495057 0.710878
H -2.508377 0.586513 1.161868
H -0.278809 -2.052986 -2.044397
H 0.926651 -1.028125 -2.862791
H 1.491106 -2.350467 -1.811498
H 1.448960 0.195333 1.802205
H 2.984715 -0.311694 -2.235660
H -6.105737 0.688639 0.280776
H -4.744707 1.503460 -0.596350
H 3.641955 1.121862 2.517745
H 5.184886 0.591670 -1.509734
H 5.532607 1.329120 0.870068
H -5.127234 2.527892 1.556158


