%chk=000040084.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040084

0 1
 O    4.466100     -0.2504000      3.0000001E-04
 O    4.382100      -2.526000     -0.1355000    
 O   0.3713000      -2.518700     -0.1377000    
 O    2.276600      -3.622100     -0.1935000    
 N   0.2359000     -0.1331000     -7.7999998E-03
 N   -2.641600      5.6699999E-02  8.9999998E-04
 N    1.605500      -2.585700     -0.1393000    
 C  -0.5256000     -0.1512000       1.241100    
 C  -0.5242000     -1.5000000E-02  -1.251900    
 C   -1.931900     -0.7119000       1.025800    
 C   -1.843300      0.7256000      -1.028400    
 C    1.598900     -0.2208000     -1.1700000E-02
 C   -4.030600      0.1482000      4.9000001E-03
 C    2.381300       1.040600      5.6699999E-02
 C    2.321900      -1.351900     -7.1500003E-02
 C    3.779600      0.9790000      6.1799999E-02
 C   -4.835300     -0.8964000      0.5169000    
 C   -4.694500       1.289700     -0.5017000    
 C    1.806900       2.321800      0.1163000    
 C    3.788600      -1.455700     -7.4100003E-02
 C    4.586100       2.119500      0.1250000    
 C   -6.227200     -0.8047000      0.5218000    
 C   -6.086400       1.381700     -0.4968000    
 C    2.602300       3.473800      0.1793000    
 C    3.990200       3.372800      0.1840000    
 C   -6.852700      0.3344000      1.5100000E-02
 H  -0.5923000      0.8715000       1.632900    
 H  -1.3200000E-02 -0.7527000       2.002100    
 H  -0.7330000      -1.004700      -1.673800    
 H   5.9200000E-02  0.5315000      -2.003600    
 H   -1.896900      -1.765900      0.7297000    
 H   -2.461000     -0.6559000       1.985300    
 H   -1.648700       1.760200     -0.7208000    
 H   -2.380800      0.7533000      -1.984300    
 H   -4.382100      -1.804300      0.9083000    
 H   -4.128600       2.130500     -0.8963000    
 H   0.7279000       2.453700      0.1140000    
 H    5.668800       2.033300      0.1270000    
 H   -6.824200      -1.621000      0.9177000    
 H   -6.573800       2.269600     -0.8886000    
 H    2.130500       4.451500      0.2245000    
 H    4.602500       4.267900      0.2329000    
 H   -7.936300      0.4060000      1.8999999E-02


%chk=000040084-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040084

0 1
O 4.476094 -0.332423 -0.053627
O 4.314612 -2.585920 0.381004
O 0.548314 -2.705930 -0.525119
O 1.674224 -3.347761 1.356091
N 0.235699 0.139099 0.246755
N -2.693974 0.066200 0.037552
N 1.444679 -2.522329 0.395706
C -0.628633 -0.544540 1.252236
C -0.504773 0.664198 -0.936504
C -1.944457 -1.056964 0.635025
C -1.900663 1.166893 -0.537006
C 1.619008 -0.045047 0.164396
C -4.098852 0.088169 -0.000577
C 2.483217 1.125138 -0.049834
C 2.250140 -1.289368 0.324786
C 3.888058 0.927697 -0.182930
C -4.866154 -1.084564 0.281788
C -4.804868 1.288740 -0.324657
C 2.003364 2.467965 -0.037467
C 3.696189 -1.516727 0.271643
C 4.773793 2.005866 -0.400793
C -6.274533 -1.046412 0.248603
C -6.214006 1.306516 -0.362685
C 2.874236 3.547938 -0.244577
C 4.262005 3.314123 -0.448395
C -6.965858 0.144569 -0.074139
H -0.871973 0.196438 2.040822
H -0.100560 -1.374286 1.747244
H -0.611893 -0.154454 -1.678392
H 0.065029 1.473926 -1.419124
H -1.728324 -1.863081 -0.095886
H -2.542732 -1.498128 1.452773
H -1.808551 2.028375 0.163820
H -2.398518 1.541170 -1.452308
H -4.367044 -2.035023 0.494196
H -4.258900 2.217221 -0.519564
H 0.945441 2.648473 0.174876
H 5.841580 1.795364 -0.506522
H -6.835454 -1.963316 0.464154
H -6.727499 2.243268 -0.609470
H 2.488742 4.572046 -0.231584
H 4.941746 4.156204 -0.614252
H -8.059953 0.165377 -0.102062


