%chk=000019569.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019569

0 1
 O  -3.5100002E-02 -0.6771000     -0.4221000    
 O    1.119300       1.928200      6.8000001E-03
 N   -2.635400      1.3000000E-02  0.4536000    
 C  -0.6566000      0.5340000     -0.8741000    
 C   -2.160100      0.3013000     -0.9002000    
 C  -0.2891000       1.679600      5.9700001E-02
 C   -2.525000     -0.8454000      -1.840900    
 C    1.285400     -0.4926000     -0.1069000    
 C   -4.073400     -0.2033000      0.4586000    
 C    1.847100      0.7707000      9.0200000E-02
 C    2.073200      -1.636400      2.5599999E-02
 C    3.207000      0.8935000      0.3765000    
 C   -4.584700     -0.5023000       1.852700    
 C    3.430000      -1.513300      0.3254000    
 C    3.997300     -0.2499000      0.4952000    
 H  -0.2920000      0.7418000      -1.890000    
 H   -2.637500       1.219500      -1.267000    
 H  -0.7941000       2.603400     -0.2420000    
 H  -0.5485000       1.477900       1.106400    
 H   -2.161800     -0.8129000      0.8195000    
 H   -1.978600     -0.7500000      -2.786800    
 H   -2.275100      -1.826400      -1.420800    
 H   -3.587100     -0.8406000      -2.106700    
 H   -4.592600      0.6843000      7.8500003E-02
 H   -4.366700      -1.058000     -0.1585000    
 H    1.641100      -2.623600     -0.1137000    
 H    3.655100       1.873200      0.5190000    
 H   -4.126100      -1.410700       2.258100    
 H   -4.369200      0.3242000       2.538400    
 H   -5.669400     -0.6512000       1.836700    
 H    4.046800      -2.402000      0.4225000    
 H    5.055000     -0.1569000      0.7246000    


%chk=000019569-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000019569

0 1
O -0.036242 -0.706201 -0.463516
O 1.094982 1.940254 0.033439
N -2.701664 -0.109180 0.354228
C -0.709241 0.543237 -0.926098
C -2.214557 0.221671 -1.005902
C -0.365317 1.679782 0.044777
C -2.485726 -0.860478 -2.088258
C 1.317590 -0.525981 -0.093947
C -4.166155 -0.210846 0.529666
C 1.870512 0.764810 0.133469
C 2.124412 -1.673781 0.042755
C 3.234727 0.896373 0.464957
C -4.519098 -0.412363 2.013874
C 3.486602 -1.539893 0.389181
C 4.044093 -0.253370 0.589762
H -0.316762 0.785465 -1.935235
H -2.723929 1.159303 -1.314566
H -0.828960 2.628521 -0.269509
H -0.698602 1.418944 1.064496
H -2.202520 -0.929445 0.727730
H -2.171163 -0.510091 -3.089577
H -1.925149 -1.782877 -1.856208
H -3.562065 -1.102203 -2.139009
H -4.616484 0.734725 0.166449
H -4.628527 -1.033429 -0.068836
H 1.672465 -2.654987 -0.134893
H 3.635601 1.901405 0.630093
H -4.085677 -1.354376 2.400938
H -4.121387 0.420024 2.619970
H -5.614054 -0.463751 2.154149
H 4.109326 -2.434315 0.494167
H 5.102170 -0.144948 0.849751


