%chk=000049121.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049121

0 1
 O   0.5816000      0.7488000     -0.7467000    
 O    1.089900      0.4450000       1.491300    
 N  -0.2026000      -2.407900      0.4467000    
 N    2.803000      0.6262000     -7.1400002E-02
 N   -2.761600     -0.5344000     -2.5699999E-02
 C   -1.455200     -0.4579000     -0.3652000    
 C  -0.7954000      -1.750600     -0.7183000    
 C  -0.7701000      0.7216000     -0.3881000    
 C   -1.388300       1.900100     -6.1799999E-02
 C   -2.732100       1.861900      0.2931000    
 C    1.462200      0.5934000      0.3279000    
 C   -3.367600      0.6306000      0.2956000    
 C   0.4379000      -3.655700      6.2500000E-02
 C    3.863900      0.4800000      0.9149000    
 C    3.234100      0.7991000      -1.454800    
 H   -1.549400      -2.410700      -1.167800    
 H  -3.8699999E-02  -1.585200      -1.495400    
 H  -0.9319000      -2.605000       1.131900    
 H  -0.8545000       2.844600     -7.6899998E-02
 H   -3.265200       2.767400      0.5593000    
 H   -4.415300      0.5469000      0.5649000    
 H   0.8757000      -4.127900      0.9475000    
 H    1.249800      -3.481800     -0.6511000    
 H  -0.2783000      -4.359600     -0.3739000    
 H    4.462500     -0.3995000      0.6601000    
 H    3.463400      0.3567000       1.924200    
 H    4.494700       1.373300      0.8888000    
 H    3.825500     -7.3700003E-02  -1.747100    
 H    3.855400       1.697300      -1.516800    
 H    2.395600      0.9028000      -2.145700    


%chk=000049121-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049121

0 1
O 0.648113 0.554295 -0.301910
O 1.448124 2.571227 0.673278
N -0.169172 -2.506923 -0.254865
N 2.861486 0.747387 0.213615
N -2.858994 -0.477549 -0.271841
C -1.510761 -0.431374 -0.480296
C -0.886702 -1.611425 -1.202145
C -0.728618 0.672071 -0.026201
C -1.349493 1.761553 0.626751
C -2.746749 1.694479 0.830002
C 1.653328 1.402379 0.252610
C -3.459572 0.565491 0.374821
C 0.400889 -3.706524 -0.902957
C 4.076861 1.494047 0.576780
C 3.021577 -0.664150 -0.187487
H -1.706480 -2.131344 -1.749115
H -0.148084 -1.251511 -1.943514
H -0.781006 -2.755687 0.535138
H -0.756772 2.617627 0.952775
H -3.270752 2.513882 1.332626
H -4.541988 0.480138 0.520258
H 0.883189 -4.345286 -0.141992
H 1.179210 -3.399743 -1.627382
H -0.344243 -4.326181 -1.458486
H 4.564218 1.034133 1.457254
H 3.802208 2.531194 0.819864
H 4.794743 1.492598 -0.265431
H 3.745803 -1.147280 0.494664
H 3.412252 -0.739308 -1.221662
H 2.056385 -1.192416 -0.123150


