%chk=000049247.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049247

0 1
 O   7.5700000E-02  0.9145000       1.708300    
 O   -2.608900      -1.440600      -1.239600    
 O    1.785600      -2.627000     -0.7650000    
 O    3.223900      0.4724000     -0.8737000    
 N    1.048700     -0.7270000      0.3746000    
 N  -0.3863000      -1.970200      -1.034700    
 N    4.147600      0.9285000       1.181800    
 C   -1.139200      0.2167000     -0.2576000    
 C   -2.383900      0.7911000      0.4372000    
 C  -0.7318000       1.151200      -1.411100    
 C   2.8800000E-02  0.1719000      0.7260000    
 C   -1.477900      -1.134800     -0.8647000    
 C   0.8925000      -1.816800     -0.5036000    
 C    2.317000     -0.6228000       1.086500    
 C   -2.809400     -8.3999999E-02   1.568800    
 C  -0.3111000       2.486200     -0.8907000    
 C    3.243100      0.3126000      0.3438000    
 C   -4.014700     -0.6587000       1.649400    
 C  -0.8998000       3.636800      -1.235500    
 H   -3.203600      0.9168000     -0.2829000    
 H   -2.194600       1.786300      0.8581000    
 H   -1.555300       1.247500      -2.131400    
 H   0.1106000      0.7299000      -1.975400    
 H  -0.5509000      -2.823500      -1.561600    
 H    2.144900     -0.2536000       2.103200    
 H    2.807300      -1.599200       1.161100    
 H   -2.123800     -0.2423000       2.396400    
 H   0.5716000       2.548300     -0.2602000    
 H   -4.274600      -1.271800       2.505400    
 H   -4.758600     -0.5316000      0.8707000    
 H  -0.5245000       4.581200     -0.8567000    
 H   -1.761100       3.658800      -1.893900    
 H    4.839700       1.574000      0.8158000    
 H    4.162300      0.7671000       2.183700    


%chk=000049247-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049247

0 1
O 0.206635 1.043875 1.651377
O -2.497314 -1.266211 -1.595631
O 1.707797 -2.838703 -0.445845
O 2.740520 1.036308 -0.513089
N 1.007505 -0.824570 0.537450
N -0.398706 -2.004457 -0.974727
N 4.370530 0.645052 1.095680
C -1.120962 0.276974 -0.260515
C -2.409401 0.808547 0.438033
C -0.667500 1.273060 -1.432498
C 0.042577 0.200449 0.732008
C -1.427600 -1.046165 -0.973562
C 0.837276 -1.939649 -0.312448
C 2.298877 -0.675766 1.217949
C -2.838329 -0.029258 1.626808
C -0.376218 2.684476 -0.977345
C 3.143359 0.415115 0.509868
C -3.937052 -0.824734 1.652155
C -1.093850 3.767531 -1.368656
H -3.208742 0.831164 -0.323131
H -2.202939 1.844898 0.759802
H -1.486479 1.265134 -2.174977
H 0.241556 0.852715 -1.905788
H -0.554712 -2.854355 -1.526514
H 2.121262 -0.384722 2.267278
H 2.817194 -1.648438 1.176260
H -2.200680 0.044790 2.520268
H 0.496885 2.812207 -0.324569
H -4.207002 -1.401702 2.544349
H -4.592529 -0.922676 0.778198
H -0.822938 4.778781 -1.045074
H -1.965992 3.677142 -2.029018
H 4.982430 1.349530 0.684153
H 4.683842 0.141557 1.924254


