%chk=000049475.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049475

0 1
 O  -0.7591000      -1.285100      0.2785000    
 O    3.271500       1.234600      0.4661000    
 O   -2.966600       2.073000     -0.3382000    
 N    2.437900      -1.915400     -0.6538000    
 C    1.238400     -3.3300001E-02  0.3704000    
 C  -0.1480000     -6.2899999E-02  0.2130000    
 C  -0.8494000       1.118300      2.2000000E-03
 C    2.001000      -1.299600      0.5984000    
 C    1.918100       1.183600      0.3150000    
 C   -2.935700     -0.2958000     -9.4400004E-02
 C   -2.308200       1.055900     -0.1602000    
 C   -2.136100      -1.360300      0.1216000    
 C  -0.1731000       2.340100     -5.3800002E-02
 C    1.213200       2.368500      0.1030000    
 C   -4.421300     -0.3311000     -0.3042000    
 C   -2.626500      -2.774100      0.2477000    
 C    3.184000      -3.136900     -0.3945000    
 C    4.060000       1.120600     -0.7166000    
 H    2.869800      -1.094700       1.237500    
 H    1.391600      -2.005700       1.177600    
 H  -0.7044000       3.273300     -0.2179000    
 H    1.737900       3.319200      5.9400000E-02
 H    1.622100      -2.140400      -1.223400    
 H   -4.698400      0.2601000      -1.184000    
 H   -4.935700      8.6099997E-02  0.5675000    
 H   -4.807900      -1.338200     -0.4778000    
 H   -2.056700      -3.303200       1.019900    
 H   -2.488800      -3.305400     -0.6991000    
 H   -3.677300      -2.840600      0.5402000    
 H    4.085800      -2.934400      0.1923000    
 H    3.503400      -3.577100      -1.344200    
 H    2.573400      -3.878700      0.1307000    
 H    4.995400      0.6157000     -0.4603000    
 H    4.292100       2.123000      -1.088600    
 H    3.554800      0.5520000      -1.503900    


%chk=000049475-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049475

0 1
O -0.748642 -1.238995 0.211808
O 3.297809 1.447060 0.419340
O -3.107891 2.155124 -0.340235
N 2.439977 -1.941616 -0.650130
C 1.277387 0.042089 0.314366
C -0.133125 0.029652 0.163745
C -0.911649 1.199370 -0.021026
C 2.044887 -1.234939 0.601391
C 1.908086 1.312233 0.243971
C -2.965827 -0.246720 -0.096946
C -2.384735 1.115365 -0.167351
C -2.148318 -1.341723 0.088382
C -0.238226 2.449239 -0.050540
C 1.154906 2.507955 0.077673
C -4.470144 -0.374942 -0.231981
C -2.568037 -2.780484 0.191204
C 3.167935 -3.203840 -0.402002
C 4.144211 0.913389 -0.681989
H 2.969646 -0.976493 1.150096
H 1.429726 -1.884760 1.265813
H -0.846561 3.349085 -0.184937
H 1.695704 3.458420 0.055656
H 1.617624 -2.086489 -1.252650
H -4.888237 0.635432 -0.373271
H -4.933204 -0.817415 0.669144
H -4.759192 -0.993479 -1.101561
H -2.286053 -3.197279 1.175828
H -2.061074 -3.390579 -0.578857
H -3.655223 -2.883739 0.064072
H 4.133405 -2.980904 0.089703
H 3.387789 -3.700126 -1.363369
H 2.619980 -3.926829 0.249483
H 5.171194 0.916222 -0.285621
H 4.077088 1.590097 -1.555730
H 3.825984 -0.108281 -0.967379


