%chk=000055895.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055895

0 1
 O    3.054200       1.391000       1.780300    
 O    1.404900      -1.904800     -0.4301000    
 O  -1.5000000E-03   2.769200      -1.902400    
 O   -1.579100     -0.5563000       1.981300    
 O    1.357300      -4.201300     -0.2768000    
 N    4.853800      0.5493000     -0.3697000    
 N    1.933500       1.277300     -0.3263000    
 N   -3.542600      0.6958000      0.5773000    
 N    1.455000      -3.148900      -2.318800    
 N   -5.389000     -0.7506000      6.2600002E-02
 C    3.699000     -0.2103000      0.1148000    
 C    2.561400      0.5059000      0.7747000    
 C    3.785000      0.2453000      -1.304900    
 C    2.706600       1.254800      -1.564800    
 C    1.364800     -0.3207000       1.357800    
 C   0.5628000       1.234600     -0.2110000    
 C   0.1751000      0.3898000      0.7429000    
 C    1.352400      -1.800600      0.9805000    
 C  -0.3833000       1.999700      -1.027400    
 C   -1.236600      0.1932000       1.072800    
 C    3.507200      0.6764000       2.919200    
 C   -1.839900       1.794300     -0.7247000    
 C   -2.235600      0.9465000      0.2491000    
 C   -2.768600       2.620500      -1.573800    
 C    1.401700      -3.175200     -0.9472000    
 C   -4.092100     -0.2809000     -6.4599998E-02
 C   -5.868400      -1.869100     -0.7372000    
 C   -6.238000     -0.3250000       1.166500    
 H    3.905900      -1.225500      0.4055000    
 H    3.985900     -0.4558000      -2.098800    
 H    5.641900     -7.8900002E-02 -0.5232000    
 H    3.122700       2.244500      -1.778100    
 H    2.091800      0.9338000      -2.412700    
 H    1.268000     -0.2396000       2.443300    
 H   0.4385000      -2.282600       1.348200    
 H    2.209900      -2.313300       1.431500    
 H    4.321000       1.255500       3.367100    
 H    3.895300     -0.3221000       2.696000    
 H    2.716000      0.6176000       3.671900    
 H   -2.540300       3.686100      -1.464400    
 H   -3.819500       2.484200      -1.301000    
 H   -2.663500       2.346600      -2.628800    
 H   -3.532700     -0.8483000     -0.8330000    
 H    1.492100      -2.272400      -2.828400    
 H    1.460600      -4.004000      -2.864400    
 H   -6.951500      -1.813900     -0.8885000    
 H   -5.632900      -2.814700     -0.2389000    
 H   -5.402300      -1.872900      -1.728300    
 H   -6.160500      0.7558000       1.324700    
 H   -5.939600     -0.8357000       2.087500    
 H   -7.292300     -0.5501000      0.9744000    


%chk=000055895-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055895

0 1
O 2.578368 1.074407 2.060133
O 1.253891 -2.216758 -0.847487
O 0.178571 2.758374 -2.018930
O -1.938154 -1.216237 1.202470
O 3.300466 -3.405615 -0.820896
N 4.800965 0.674364 0.237325
N 1.829419 1.200120 -0.171413
N -3.693752 0.493758 -0.225697
N 2.140984 -2.932085 -2.804712
N -5.616545 -0.658867 0.493916
C 3.625732 -0.305274 0.212385
C 2.341395 0.249126 0.859694
C 3.936314 0.549155 -1.006660
C 2.870002 1.651018 -1.125733
C 1.118484 -0.713293 1.135388
C 0.474044 1.072378 -0.314860
C -0.030887 0.046878 0.480619
C 1.209885 -2.169183 0.639465
C -0.374727 1.896224 -1.238639
C -1.425381 -0.245213 0.522621
C 3.397438 0.418521 3.083554
C -1.809442 1.640822 -1.191110
C -2.335538 0.655735 -0.337220
C -2.715647 2.469087 -2.072975
C 2.323522 -2.905289 -1.440427
C -4.321832 -0.637165 0.043653
C -6.315625 -1.928149 0.728255
C -6.326551 0.582408 0.837107
H 3.823591 -1.380094 0.215744
H 4.357508 0.106212 -1.914446
H 5.691223 0.150275 0.115879
H 3.280310 2.630210 -0.824864
H 2.435916 1.741439 -2.133096
H 0.981206 -0.773510 2.232070
H 0.285367 -2.695798 0.929561
H 2.093579 -2.699492 1.037666
H 3.399632 1.111114 3.939495
H 4.432607 0.270044 2.725457
H 2.966540 -0.553533 3.406425
H -2.138344 3.276395 -2.551360
H -3.542652 2.900562 -1.479619
H -3.183369 1.856073 -2.866997
H -3.881047 -1.628992 -0.128942
H 1.308686 -2.518417 -3.218786
H 2.830308 -3.405933 -3.381114
H -7.245267 -1.980221 0.129370
H -6.583063 -2.037547 1.796977
H -5.666185 -2.773174 0.446915
H -5.732097 1.431505 0.466140
H -6.448492 0.678426 1.933441
H -7.326857 0.589410 0.365958


