%chk=000058963.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058963

0 1
 O  -0.9581000       2.156400       1.332700    
 N   -4.257300      -1.425900     -0.3341000    
 N    1.935300       1.194500      -1.598500    
 C   -1.990300      0.4023000      3.9900001E-02
 C   -1.818100      -1.018800     -0.5112000    
 C   -3.259300      0.4803000      0.8983000    
 C  -0.7622000      0.8346000      0.8359000    
 C   -3.088700      -1.496300      -1.214000    
 C   -4.473100     -5.7200000E-02  0.1404000    
 C   0.4948000      0.7970000      7.9999998E-04
 C    1.642000      4.0600002E-02  0.2882000    
 C   0.6785000       1.496700      -1.147400    
 C    2.546900      0.3074000     -0.7416000    
 C    2.023100     -0.8491000       1.312300    
 C    3.818900     -0.2731000     -0.7984000    
 C    3.292500      -1.437200       1.268400    
 C    4.174900      -1.152200      0.2283000    
 H   -2.137500       1.089500     -0.8058000    
 H   -1.574000      -1.711200      0.3054000    
 H  -0.9928000      -1.068600      -1.229900    
 H   -3.465700       1.516000       1.191300    
 H   -3.123900     -9.4999999E-02   1.823500    
 H  -0.6377000      0.1829000       1.709300    
 H   -3.264600     -0.9052000      -2.121200    
 H   -2.951500      -2.535500      -1.532500    
 H   -5.342400     -4.9600001E-02  0.8071000    
 H   -4.713500      0.5999000     -0.7045000    
 H   -5.082300      -1.738600     -0.8451000    
 H   4.8300002E-02   2.182900      -1.695900    
 H   -1.538500       2.099300       2.110400    
 H    2.354400       1.568200      -2.438800    
 H    1.349800      -1.084900       2.131300    
 H    4.506600     -5.1899999E-02  -1.607800    
 H    3.591800      -2.124300       2.055500    
 H    5.155900      -1.620300      0.2139000    


%chk=000058963-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058963

0 1
O -1.095320 2.505804 1.064753
N -4.135932 -1.584744 -0.114149
N 2.196770 1.646472 -1.334236
C -1.978080 0.394158 0.041042
C -1.710753 -1.118253 -0.169886
C -3.339664 0.585533 0.762135
C -0.805237 1.071814 0.818196
C -2.892964 -1.801791 -0.886807
C -4.475478 -0.153334 0.019757
C 0.507837 1.040129 0.078886
C 1.576954 0.062936 0.192728
C 0.923315 1.986669 -0.856481
C 2.626107 0.469307 -0.710048
C 1.765009 -1.113092 0.969191
C 3.829067 -0.256352 -0.852892
C 2.964656 -1.838056 0.835233
C 3.986140 -1.416459 -0.067534
H -2.036702 0.884066 -0.954572
H -1.571636 -1.607996 0.815186
H -0.784019 -1.265309 -0.753365
H -3.609002 1.659968 0.820334
H -3.271495 0.184316 1.793994
H -0.695572 0.541643 1.792790
H -2.961733 -1.392028 -1.928282
H -2.707882 -2.888767 -0.967061
H -5.419995 -0.061344 0.587421
H -4.627779 0.346520 -0.972734
H -4.923200 -2.145292 -0.463896
H 0.414977 2.893314 -1.174896
H -1.936766 2.569991 1.583979
H 2.735919 2.188073 -2.005613
H 0.989797 -1.452910 1.665254
H 4.616208 0.065557 -1.544340
H 3.121177 -2.743158 1.432731
H 4.907472 -2.003787 -0.150617


