%chk=000009942.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009942

0 1
 O   -4.996100      0.8462000      0.8073000    
 N   -3.221900     -0.1258000     -0.2994000    
 N  -0.7429000      -1.133300      0.6830000    
 C   -2.076600     -0.1573000      -1.196800    
 C   -3.212400      -1.404800      0.3871000    
 C   -2.201300      -1.555400      -1.821700    
 C   -2.960500      -2.386000     -0.7662000    
 C  -0.8161000     -3.9900001E-02 -0.3089000    
 C   -2.026200      -1.367600       1.377700    
 C   -4.045100      0.9295000      2.8400000E-02
 C   0.3471000     -0.9242000       1.629600    
 C   -3.723600       2.239000     -0.6433000    
 C    1.675000     -0.8608000      0.9347000    
 C   -4.719800       3.293100     -0.2238000    
 C    2.486800      0.2068000      0.9945000    
 C    3.804300      0.3101000      0.3450000    
 C    4.110400     -0.5362000     -0.7091000    
 C    4.714100       1.251700      0.7996000    
 C    5.358300     -0.4386000      -1.324300    
 C    5.962100       1.349300      0.1842000    
 C    6.284200      0.5040000     -0.8778000    
 H   -2.098900      0.6367000      -1.946600    
 H   -4.152600      -1.596700      0.9126000    
 H   -1.234400      -1.994800      -2.086500    
 H   -2.804100      -1.506000      -2.736500    
 H   -3.914500      -2.718000      -1.193100    
 H   -2.408300      -3.279100     -0.4572000    
 H   5.7700001E-02 -6.5099999E-02 -0.9701000    
 H  -0.8272000      0.9335000      0.1994000    
 H   -2.205300     -0.5763000       2.117900    
 H   -1.978200      -2.322600       1.914100    
 H   0.3904000      -1.767400       2.330600    
 H   0.1733000     -2.2800000E-02   2.231900    
 H   -2.711200       2.550100     -0.3670000    
 H   -3.772800       2.110200      -1.729200    
 H    1.960700      -1.761800      0.3994000    
 H   -4.491900       4.244700     -0.7149000    
 H   -4.694300       3.461600      0.8583000    
 H   -5.742300       3.012100     -0.4984000    
 H    2.175000       1.075900       1.569600    
 H    3.413400      -1.268500      -1.104100    
 H    4.478600       1.916300       1.626500    
 H    5.607800      -1.092900      -2.154600    
 H    6.683300       2.083300      0.5317000    
 H    7.255400      0.5810000      -1.357600    


%chk=000009942-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000009942

0 1
O -5.157602 0.630334 0.977316
N -3.332804 -0.039524 -0.282593
N -0.759559 -0.899898 0.670119
C -2.134149 0.092978 -1.149040
C -3.179637 -1.373638 0.351641
C -2.098380 -1.289588 -1.868643
C -2.793948 -2.269684 -0.861596
C -0.907225 0.281659 -0.215986
C -2.018913 -1.263102 1.374204
C -4.281116 0.894633 0.092000
C 0.409075 -0.809842 1.577834
C -4.225185 2.250197 -0.635750
C 1.721830 -0.837754 0.827322
C -5.390893 3.171791 -0.235400
C 2.722803 0.070404 1.005560
C 4.047521 0.088916 0.351203
C 4.479839 -0.911249 -0.567503
C 4.943431 1.154632 0.649290
C 5.754159 -0.840908 -1.164448
C 6.220631 1.225791 0.053309
C 6.632848 0.227464 -0.858481
H -2.218433 0.944535 -1.842386
H -4.115308 -1.656050 0.857765
H -1.060897 -1.593819 -2.085133
H -2.655894 -1.235978 -2.820275
H -3.699800 -2.718079 -1.304972
H -2.113559 -3.080046 -0.552028
H 0.017752 0.392379 -0.811030
H -1.048762 1.228610 0.367818
H -2.309422 -0.512060 2.149849
H -1.865124 -2.234459 1.881439
H 0.356867 -1.690714 2.251682
H 0.369526 0.098274 2.232870
H -3.256324 2.739948 -0.406716
H -4.231697 2.077791 -1.730930
H 1.828758 -1.670896 0.118299
H -5.306380 4.147893 -0.746910
H -5.399333 3.338930 0.854581
H -6.360291 2.716101 -0.498814
H 2.542111 0.891741 1.717000
H 3.818354 -1.749919 -0.811675
H 4.629616 1.932577 1.356869
H 6.068730 -1.620265 -1.867933
H 6.892368 2.055833 0.299284
H 7.623812 0.277258 -1.323010


