%chk=000047629.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047629

0 1
 O   -3.664200       2.693100      0.4729000    
 O    6.704800      0.3274000      -1.740100    
 O   -6.813000      -1.772700     -0.6205000    
 O   -6.979400      0.3762000     -0.2040000    
 N  -0.5131000     -0.3260000      8.3999999E-02
 N    2.355300     -0.2239000      0.2962000    
 N   -2.461300       2.010300      0.4169000    
 N   -4.742800       1.857900      0.2372000    
 N   -6.283500     -0.6602000     -0.3637000    
 C   0.2500000      -1.484900      0.5474000    
 C   0.2259000      0.8861000     -0.2683000    
 C    1.561200      -1.048500       1.206800    
 C    1.647300      0.5470000     -0.7257000    
 C   -1.900900     -0.3751000     -1.7600000E-02
 C    3.743000     -0.1738000      0.3995000    
 C   -2.774900      0.7374000      0.1449000    
 C   -2.604100      -1.578700     -0.3014000    
 C    4.557800      5.4400001E-02 -0.7343000    
 C    4.395800     -0.3478000       1.642500    
 C   -4.225000      0.6405000      3.0700000E-02
 C   -4.016300      -1.673100     -0.4126000    
 C   -4.878400     -0.5731000     -0.2519000    
 C    5.947800      0.1058000     -0.6309000    
 C    5.786000     -0.2966000       1.745700    
 C    6.561900     -6.9799997E-02  0.6091000    
 C    8.120100      0.3679000      -1.562900    
 H   0.4598000      -2.143000     -0.3048000    
 H  -0.3229000      -2.060600       1.284700    
 H   0.2675000       1.552600      0.6018000    
 H  -0.2668000       1.421300      -1.088900    
 H    1.349000     -0.4777000       2.119400    
 H    2.109700      -1.953800       1.494800    
 H    1.612400     -3.3000000E-02  -1.656300    
 H    2.166700       1.490300     -0.9350000    
 H   -2.041000      -2.499100     -0.4590000    
 H    4.107700      0.1822000      -1.716900    
 H    3.822000     -0.5132000       2.551700    
 H   -4.427100      -2.657400     -0.6370000    
 H    6.263400     -0.4302000       2.712200    
 H    7.635500     -4.1299999E-02  0.7610000    
 H    8.509400     -0.5940000      -1.212600    
 H    8.420900       1.198300     -0.9152000    
 H    8.563700      0.5530000      -2.546700    


%chk=000047629-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047629

0 1
O -3.565466 2.787141 -0.838530
O 6.414943 0.779360 -1.787217
O -6.566613 -2.107948 -0.805071
O -6.836988 0.118738 -1.275220
N -0.564172 -0.151572 0.507476
N 2.348516 -0.187904 0.609080
N -2.373950 2.133400 -0.400217
N -4.680395 1.858858 -0.984042
N -6.119241 -0.890551 -0.898966
C 0.181304 -1.331189 1.019888
C 0.238561 1.089312 0.359942
C 1.554207 -0.930958 1.593456
C 1.619963 0.772336 -0.239885
C -1.887526 -0.291539 0.152624
C 3.749976 -0.296885 0.534874
C -2.723502 0.826239 -0.275535
C -2.548154 -1.552724 0.192975
C 4.450636 0.275084 -0.562351
C 4.503647 -0.974325 1.546069
C -4.135981 0.657012 -0.629763
C -3.910972 -1.713211 -0.151545
C -4.725373 -0.647747 -0.560063
C 5.857336 0.171822 -0.649176
C 5.902116 -1.071746 1.431090
C 6.606607 -0.507167 0.343102
C 7.867180 0.694903 -1.955705
H 0.320659 -2.066855 0.201433
H -0.407854 -1.818931 1.820867
H 0.359600 1.571739 1.350198
H -0.295390 1.802927 -0.283177
H 1.414490 -0.363957 2.540903
H 2.075427 -1.868603 1.853155
H 1.496991 0.392509 -1.277512
H 2.187771 1.721858 -0.304486
H -1.993945 -2.446800 0.482333
H 3.933109 0.781105 -1.381097
H 4.014666 -1.389136 2.431986
H -4.371128 -2.705244 -0.109931
H 6.463473 -1.588648 2.217941
H 7.694390 -0.594592 0.286638
H 8.203844 -0.357377 -2.031402
H 8.399389 1.195052 -1.123282
H 8.077749 1.220416 -2.898757


