%chk=000016211.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016211

0 1
 O   4.3499999E-02  0.5327000     -0.9287000    
 O  -0.6630000      9.7599998E-02   1.257200    
 N   -3.268200     -2.1700000E-02  0.2512000    
 C   -2.251200      0.7331000     -0.4800000    
 C   -3.022100      -1.458400      0.1326000    
 C   -4.604400      0.3105000     -0.2419000    
 C    1.347600      0.2562000     -0.5109000    
 C    1.811200      -1.039600     -0.5937000    
 C    2.124300       1.288600     -2.9700000E-02
 C  -0.8941000      0.4110000      9.7000003E-02
 C   -4.070100      -2.259000      0.8869000    
 C   -4.900700       1.790700     -6.9799997E-02
 C    3.920500     -0.2901000      0.3152000    
 C    3.113000      -1.315900     -0.1758000    
 C    3.426100       1.012200      0.3882000    
 C   0.9620000      -2.151400      -1.115900    
 C    1.613200       2.689000      5.6200001E-02
 C    5.312400     -0.5854000      0.7619000    
 H   -2.271200      0.4876000      -1.549000    
 H   -2.358800       1.815500     -0.3601000    
 H   -3.009800      -1.780200     -0.9170000    
 H   -2.057700      -1.743600      0.5629000    
 H   -4.737000      2.5200000E-02  -1.293100    
 H   -5.375300     -0.2046000      0.3398000    
 H   -4.226600      -1.873300       1.900200    
 H   -5.030400      -2.294500      0.3633000    
 H   -3.734600      -3.298000      0.9843000    
 H   -4.657200       2.139000      0.9399000    
 H   -4.369800       2.411400     -0.7978000    
 H   -5.970100       1.971500     -0.2278000    
 H    3.499900      -2.331000     -0.2278000    
 H    4.057300       1.809000      0.7749000    
 H   0.4140000      -1.840200      -2.011500    
 H    1.566400      -3.019400      -1.401100    
 H   0.2476000      -2.472100     -0.3515000    
 H    1.128300       2.983800     -0.8805000    
 H   0.8948000       2.780900      0.8770000    
 H    2.422400       3.405400      0.2350000    
 H    5.740200      -1.420900      0.1971000    
 H    5.969500      0.2766000      0.6044000    
 H    5.318800     -0.8417000       1.826000    


%chk=000016211-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000016211

0 1
O 0.101968 0.133830 -0.918631
O -0.799147 -0.471192 1.162843
N -3.472412 -0.128895 0.031323
C -2.271766 -0.000289 -0.802357
C -3.715719 -1.527435 0.485860
C -4.664101 0.504134 -0.594705
C 1.464331 0.039584 -0.455882
C 2.233369 -1.044491 -0.939244
C 1.996635 1.061871 0.363764
C -0.962635 -0.149625 -0.026097
C -4.567264 -1.598743 1.766489
C -4.623374 2.044229 -0.559594
C 4.182036 -0.100402 0.258896
C 3.598506 -1.091390 -0.568915
C 3.367230 0.967839 0.707249
C 1.610159 -2.111766 -1.817649
C 1.137342 2.211845 0.848859
C 5.641904 -0.191416 0.670149
H -2.229773 -0.732426 -1.651704
H -2.246809 0.998176 -1.273304
H -4.187675 -2.138068 -0.326427
H -2.733493 -1.979247 0.706510
H -4.812054 0.150824 -1.648086
H -5.548961 0.167399 -0.026863
H -4.069093 -1.036075 2.573947
H -5.579931 -1.178904 1.624989
H -4.685721 -2.650396 2.087630
H -4.497052 2.393037 0.479725
H -3.795061 2.459531 -1.162723
H -5.564368 2.461654 -0.963664
H 4.215953 -1.921097 -0.935190
H 3.805049 1.750575 1.339246
H 1.108540 -1.667686 -2.696226
H 2.374352 -2.823123 -2.173379
H 0.841909 -2.686412 -1.265965
H 0.551466 2.654256 0.022340
H 0.416464 1.868111 1.613983
H 1.758066 3.005975 1.296522
H 6.250157 -0.695844 -0.101294
H 6.076181 0.808275 0.847345
H 5.755493 -0.769724 1.607832


