%chk=000020876.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020876

0 1
 O   -3.666600       1.659500     -0.9573000    
 N   -3.791500     -0.4798000     -2.3300000E-02
 N    2.490300      0.9334000      0.1729000    
 N    4.478500      7.8400001E-02  0.8223000    
 N    2.547100      -1.245500       1.184300    
 N    6.586300     -0.2023000     -0.1360000    
 N    4.783700     -0.8946000      -1.355600    
 C   -5.237000     -0.6149000     -0.1363000    
 C   -3.093400      -1.620100      0.5662000    
 C   -3.111200      0.6741000     -0.4537000    
 C   -1.667500      0.7414000     -0.2925000    
 C   -5.936000     -9.4800003E-02   1.108400    
 C   -2.677000      -2.619600     -0.4996000    
 C  -0.8299000      0.2804000      -1.308100    
 C   -1.120100       1.266100      0.8783000    
 C   0.5549000      0.3442000      -1.153100    
 C   0.2645000       1.329900       1.033500    
 C    1.095600      0.8685000      1.7100001E-02
 C    3.111400     -7.9300001E-02  0.7113000    
 C    5.218000     -0.3251000     -0.1790000    
 H   -5.575000     -3.1199999E-02 -0.9998000    
 H   -5.498000      -1.661700     -0.3239000    
 H   -2.210100      -1.290400       1.119300    
 H   -3.752000      -2.102700       1.297300    
 H   -5.634300     -0.6577000       1.997500    
 H   -5.695200      0.9589000       1.284000    
 H   -7.021200     -0.1841000       1.000100    
 H   -3.550800      -3.017500      -1.026000    
 H   -2.016800      -2.182200      -1.250300    
 H   -2.151500      -3.462100     -3.8899999E-02
 H   -1.243800     -0.1201000      -2.229900    
 H   -1.763500       1.627700       1.676400    
 H    1.200200     -1.4700000E-02  -1.950300    
 H   0.6824000       1.740500       1.948700    
 H    3.124800      -1.971400       1.594600    
 H    1.549600      -1.421600       1.140400    
 H    7.051000      0.2011000      0.6701000    
 H    7.170700     -0.5112000     -0.9051000    
 H    3.799900      -1.053400      -1.543500    
 H    5.440400      -1.176100      -2.075500    


%chk=000020876-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000020876

0 1
O -3.410785 1.757963 0.254931
N -3.909386 -0.478828 -0.126881
N 2.743171 -0.147618 -0.144283
N 4.981940 -0.181247 0.749291
N 3.211671 -0.318889 2.219294
N 6.934604 -0.066862 -0.495326
N 4.851923 -0.041752 -1.642939
C -5.347430 -0.104546 -0.150182
C -3.608730 -1.920489 0.033109
C -2.994812 0.563371 0.064456
C -1.517066 0.280386 0.034172
C -5.955436 0.040436 1.262777
C -3.845877 -2.757674 -1.243051
C -0.887771 -0.593935 -0.892609
C -0.688321 1.042761 0.899281
C 0.511873 -0.731207 -0.924078
C 0.710077 0.896144 0.889643
C 1.345603 -0.009849 -0.019182
C 3.600093 -0.197454 0.893237
C 5.551991 -0.094814 -0.468556
H -5.432397 0.857687 -0.681829
H -5.889742 -0.873278 -0.730982
H -2.564891 -2.027657 0.368266
H -4.248007 -2.318776 0.848620
H -5.854550 -0.891856 1.848753
H -5.449980 0.857816 1.803022
H -7.032170 0.281827 1.192689
H -4.896793 -2.698639 -1.578871
H -3.207357 -2.411937 -2.074747
H -3.614243 -3.820854 -1.046611
H -1.492041 -1.145488 -1.620683
H -1.165724 1.772755 1.561748
H 0.990967 -1.395816 -1.650861
H 1.324974 1.524076 1.544455
H 3.947295 -0.415400 2.914325
H 2.233074 -0.414628 2.477635
H 7.412280 -0.107290 0.401150
H 7.466427 0.015625 -1.356407
H 3.803370 -0.073197 -1.472552
H 5.299074 0.019136 -2.555222


