%chk=000045803.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045803

2 1
 O   0.5744000     -0.2424000     -9.7199999E-02
 N   -4.249100      0.1451000      3.5200000E-02
 N    5.441800     -0.2374000      0.1173000    
 C   -3.123500     -0.5767000     -0.6052000    
 C   -4.161000       1.652400     -0.2440000    
 C   -4.233900     -5.8800001E-02   1.557000    
 C   -5.597000     -0.3598000     -0.4992000    
 C   -1.812300     -4.7600001E-02 -4.9500000E-02
 C    4.235500     -0.9334000     -0.4963000    
 C   -4.173900       1.883900      -1.739100    
 C   -5.418300      0.6580000       2.167600    
 C   -5.747200      -1.827800     -0.1649000    
 C  -0.6208000     -0.7872000     -0.6405000    
 C    5.459000       1.222200     -0.3133000    
 C    2.966800     -0.2660000      6.3000000E-03
 C    6.716600     -0.9210000     -0.3558000    
 C    5.356300     -0.3177000       1.634700    
 C    1.726700     -0.8944000     -0.6130000    
 C    6.660100       1.908400      0.2997000    
 H   -3.189100     -0.5147000      -1.695300    
 H   -3.182400      -1.635400     -0.3349000    
 H   -3.291700       2.084700      0.2575000    
 H   -5.056400       2.139300      0.1508000    
 H   -3.339000      0.4173000       1.966200    
 H   -4.192600      -1.124600       1.795900    
 H   -5.576800     -0.2866000      -1.590600    
 H   -6.420200      0.2632000     -0.1412000    
 H   -1.723600     -0.1607000       1.034000    
 H   -1.657100       1.013000     -0.2682000    
 H    4.328000     -0.8581000      -1.586100    
 H    4.271700      -1.990600     -0.2086000    
 H   -4.123300       2.966500      -1.913200    
 H   -5.088100       1.557700      -2.238800    
 H   -3.306300       1.469800      -2.257900    
 H   -6.392600      0.2611000       1.876000    
 H   -5.408400       1.743200       2.050700    
 H   -5.371100      0.4998000       3.253500    
 H   -6.702500      -2.171500     -0.5822000    
 H   -4.991000      -2.471400     -0.6193000    
 H   -5.811000      -2.038800      0.9047000    
 H  -0.6118000     -0.6738000      -1.731000    
 H  -0.6808000      -1.854600     -0.3966000    
 H    4.568800       1.733900      5.5599999E-02
 H    5.484900       1.260500      -1.407700    
 H    2.860400     -0.3406000       1.093700    
 H    2.910200      0.7971000     -0.2386000    
 H    6.841800     -0.7279000      -1.425300    
 H    7.575800     -0.5608000      0.2150000    
 H    6.607500      -1.996400     -0.1813000    
 H    5.038400      -1.328100       1.911700    
 H    6.346300     -0.1396000       2.065400    
 H    4.652100      0.4295000       2.011400    
 H    1.753800     -0.7842000      -1.703500    
 H    1.684200      -1.962000     -0.3666000    
 H    6.635100       2.967800      1.5699999E-02
 H    6.669000       1.893200       1.392300    
 H    7.613900       1.527700     -7.4199997E-02


%chk=000045803-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045803

2 1
O 0.588783 -0.210108 -0.128118
N -4.417513 0.169521 0.065921
N 5.603409 -0.220691 0.193827
C -3.160778 -0.533139 -0.501502
C -4.381520 1.700105 -0.206406
C -4.474094 -0.059510 1.603967
C -5.674498 -0.428927 -0.631540
C -1.804532 0.013069 -0.014815
C 4.302496 -0.859661 -0.366442
C -4.197960 2.112610 -1.671648
C -5.752669 0.419535 2.302140
C -5.944976 -1.913376 -0.359030
C -0.654907 -0.794146 -0.648346
C 5.772716 1.211908 -0.392964
C 2.986879 -0.163957 0.026704
C 6.769071 -1.110584 -0.245661
C 5.562471 -0.178745 1.719441
C 1.790549 -0.907160 -0.601345
C 7.066378 1.931757 0.001678
H -3.236255 -0.458339 -1.600167
H -3.261334 -1.597372 -0.228590
H -3.568218 2.103832 0.419409
H -5.333799 2.096090 0.182243
H -3.597144 0.463990 2.018765
H -4.329620 -1.142173 1.755866
H -5.529393 -0.257648 -1.710585
H -6.525078 0.189279 -0.301213
H -1.698859 -0.064418 1.081464
H -1.665837 1.072901 -0.292465
H 4.426935 -0.874524 -1.464523
H 4.305898 -1.904884 -0.007210
H -4.190229 3.216555 -1.705465
H -5.023851 1.785663 -2.324182
H -3.241862 1.773542 -2.104255
H -6.661314 -0.094577 1.948755
H -5.906488 1.508691 2.233748
H -5.650904 0.182988 3.376269
H -6.869489 -2.183877 -0.899398
H -5.153351 -2.580254 -0.738893
H -6.123254 -2.135863 0.705778
H -0.676838 -0.721464 -1.758124
H -0.720002 -1.868554 -0.367362
H 4.895345 1.784062 -0.050551
H 5.707065 1.092445 -1.488984
H 2.838947 -0.162323 1.121038
H 2.950764 0.882550 -0.322574
H 6.825767 -1.115719 -1.345018
H 7.707845 -0.724114 0.174088
H 6.596654 -2.132584 0.125447
H 5.300175 -1.179080 2.097437
H 6.553471 0.106675 2.099250
H 4.816143 0.556861 2.050868
H 1.841015 -0.879084 -1.712125
H 1.767270 -1.972019 -0.279486
H 7.040087 2.934789 -0.459856
H 7.161565 2.088460 1.089053
H 7.975169 1.435698 -0.375515


