%chk=000003195.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003195

0 1
 O  -0.8897000      -3.031500     -0.6809000    
 N    1.939000       1.680800      7.2700001E-02
 N  -0.7960000     -0.7773000     -0.3816000    
 C    2.038500     -0.8246000     -7.5099997E-02
 C    1.363600      0.4740000     -0.5592000    
 C    3.524600     -0.7321000     -0.4931000    
 C  -9.1100000E-02  0.3912000     -0.3134000    
 C    1.319400      -2.001200     -0.7844000    
 C    1.954300      -1.032800       1.459100    
 C    4.170800      0.5753000     -7.1000000E-03
 C    3.340200       1.822400     -0.3532000    
 C    1.139700       2.885500     -0.2627000    
 C  -0.9002000       1.439100      2.6200000E-02
 C  -0.3268000       2.796100      0.2531000    
 C  -0.1970000      -2.028100     -0.6029000    
 C   -2.214300      0.9170000      0.1187000    
 C   -2.136600     -0.4656000     -0.1501000    
 C    2.645100      -2.312500       1.858500    
 C   -3.468200       1.489400      0.4168000    
 C   -3.287600      -1.272800     -0.1320000    
 C   -4.609500      0.6840000      0.4313000    
 C   -4.518200     -0.6762000      0.1593000    
 H    1.486600      0.5577000      -1.651600    
 H    3.578700     -0.7334000      -1.591400    
 H    4.123500      -1.593600     -0.1886000    
 H    1.724100      -2.978600     -0.5123000    
 H    1.480800      -1.916200      -1.868800    
 H   0.9145000      -1.080600       1.801500    
 H    2.405400     -0.1974000       2.005300    
 H    4.326600      0.5294000       1.077000    
 H    5.166400      0.6723000     -0.4561000    
 H    3.793200       2.686800      0.1467000    
 H    3.399600       2.006200      -1.434100    
 H    1.128500       3.034700      -1.351300    
 H    1.600900       3.776500      0.1802000    
 H  -0.9362000       3.558800     -0.2437000    
 H  -0.3416000       3.004800       1.330000    
 H    2.191900      -3.212900       1.440000    
 H    3.717900      -2.318800       1.657300    
 H    2.555800      -2.424100       2.946800    
 H   -3.553900       2.551000      0.6323000    
 H   -3.243100      -2.337100     -0.3353000    
 H   -5.576000       1.125900      0.6582000    
 H   -5.416500      -1.288200      0.1761000    


%chk=000003195-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003195

0 1
O -0.881444 -3.091922 -0.829665
N 1.961653 1.675248 0.012095
N -0.813596 -0.775029 -0.523869
C 2.050234 -0.858673 -0.137699
C 1.393229 0.469499 -0.635241
C 3.549952 -0.758581 -0.528483
C -0.075860 0.432485 -0.402060
C 1.323515 -1.992239 -0.923784
C 1.848797 -1.032288 1.401458
C 4.187366 0.537398 0.037334
C 3.392449 1.803095 -0.364653
C 1.158571 2.893299 -0.297268
C -0.881916 1.466283 0.007889
C -0.279041 2.820565 0.291250
C -0.206242 -2.029472 -0.755878
C -2.231531 0.920826 0.148709
C -2.171067 -0.478119 -0.191280
C 2.607075 -2.217326 2.038693
C -3.472168 1.482078 0.531499
C -3.300606 -1.315135 -0.157819
C -4.613794 0.650508 0.567606
C -4.528242 -0.727194 0.228949
H 1.589103 0.510807 -1.747144
H 3.629736 -0.747000 -1.636504
H 4.111112 -1.645007 -0.180538
H 1.689225 -2.992236 -0.634155
H 1.533555 -1.883691 -2.009122
H 0.767250 -1.149490 1.609459
H 2.143356 -0.088066 1.894299
H 4.238523 0.481358 1.140449
H 5.225869 0.636045 -0.332707
H 3.812695 2.690955 0.142922
H 3.499872 1.965983 -1.471095
H 1.087852 3.051342 -1.404796
H 1.688901 3.765369 0.127121
H -0.885393 3.639204 -0.144121
H -0.241598 2.993895 1.385053
H 2.350669 -3.183097 1.564768
H 3.703515 -2.090081 1.977480
H 2.346272 -2.300690 3.109626
H -3.547325 2.542136 0.797978
H -3.221600 -2.372866 -0.417131
H -5.581850 1.071389 0.861691
H -5.429972 -1.348263 0.266884


