%chk=000019661.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019661

0 1
 O   -6.212200       1.317400      2.4200000E-02
 O    3.848000      -1.078200      -1.232800    
 N   -3.712400      7.2700001E-02 -0.5266000    
 N  -0.3892000      -1.405200      0.3101000    
 C   -2.713800     -0.9749000     -0.3235000    
 C   -1.381000     -0.3582000      9.0200000E-02
 C   -4.978100     -0.4989000      -1.006900    
 C   -3.939000      0.8253000      0.7152000    
 C   0.9092000     -0.8211000      0.6499000    
 C   -6.007100      0.6113000      -1.200000    
 C   -4.993200       1.903800      0.4823000    
 C  -0.8288000      -2.316600       1.367700    
 C    1.383600      0.1345000     -0.4456000    
 C    2.731300      0.7262000     -0.1182000    
 C   0.1638000      -3.450000       1.563300    
 C    3.892500      8.8000000E-02 -0.5297000    
 C    2.782400       1.913700      0.5979000    
 C    5.131100      0.6492000     -0.2184000    
 C    4.021100       2.474600      0.9092000    
 C    5.195300       1.842400      0.5011000    
 C    5.096400      -1.655700      -1.609500    
 H   -2.573500      -1.538300      -1.255200    
 H   -3.118000      -1.664500      0.4221000    
 H   -1.448400      0.2414000       1.002200    
 H   -1.104600      0.3043000     -0.7346000    
 H   -5.364900      -1.230900     -0.2858000    
 H   -4.825600      -1.011900      -1.963400    
 H   -4.271200      0.1547000       1.518200    
 H   -3.048600       1.359100       1.054200    
 H   0.8678000     -0.2978000       1.615100    
 H    1.673900      -1.600400      0.7393000    
 H   -6.967600      0.1809000      -1.500600    
 H   -5.700100       1.316200      -1.982400    
 H   -4.653100       2.653700     -0.2425000    
 H   -5.208300       2.424800       1.421000    
 H   -1.756300      -2.827600       1.100900    
 H  -0.9953000      -1.796800       2.319500    
 H    1.416700     -0.3734000      -1.418200    
 H   0.7113000      0.9882000     -0.5795000    
 H  -0.2911000      -4.235000       2.178400    
 H    1.067300      -3.129000       2.090700    
 H   0.4508000      -3.908700      0.6108000    
 H    1.875100       2.414200      0.9243000    
 H    6.084100      0.2157000     -0.5014000    
 H    4.071200       3.403300       1.470200    
 H    6.159200       2.280100      0.7444000    
 H    4.872200      -2.575500      -2.159900    
 H    5.652800      -1.005000      -2.292700    
 H    5.687600      -1.946100     -0.7344000    


%chk=000019661-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000019661

0 1
O -6.592067 1.091706 -0.173351
O 3.815363 -1.389643 -0.508842
N -3.796902 0.273756 -0.216140
N -0.348257 -1.165045 0.604051
C -2.645492 -0.662366 -0.256789
C -1.486334 -0.214985 0.661476
C -4.655797 0.166667 -1.424740
C -4.630133 0.123941 1.006227
C 0.973298 -0.506727 0.750269
C -5.760270 1.234718 -1.381059
C -5.739442 1.188531 1.023254
C -0.520984 -2.347000 1.489580
C 1.462631 0.130525 -0.579791
C 2.822863 0.789729 -0.436820
C 0.240632 -3.586422 0.981155
C 4.012591 0.002112 -0.392167
C 2.960622 2.191288 -0.319538
C 5.285467 0.602214 -0.244463
C 4.225281 2.808631 -0.165536
C 5.386063 2.008538 -0.129586
C 5.003324 -2.243795 -0.542843
H -2.254148 -0.691753 -1.289932
H -2.955592 -1.707978 -0.002706
H -1.848055 -0.071712 1.709631
H -1.148759 0.776336 0.310555
H -5.131395 -0.844028 -1.505586
H -4.030235 0.322491 -2.323912
H -5.098661 -0.893020 1.052963
H -3.996359 0.247628 1.903357
H 0.961805 0.273194 1.551368
H 1.715080 -1.266041 1.050973
H -6.454505 1.128037 -2.231198
H -5.298318 2.245668 -1.398483
H -5.280430 2.199577 1.074848
H -6.418033 1.043581 1.880364
H -1.600354 -2.586192 1.528061
H -0.211526 -2.118461 2.541416
H 1.496162 -0.677555 -1.331520
H 0.724443 0.879582 -0.923914
H 0.092405 -4.443217 1.665487
H 1.326346 -3.394344 0.907797
H -0.120178 -3.865537 -0.024236
H 2.054550 2.808725 -0.356765
H 6.194823 -0.005752 -0.216014
H 4.300426 3.897801 -0.079920
H 6.373077 2.470361 -0.013612
H 4.618563 -3.266538 -0.670908
H 5.662432 -1.984141 -1.394098
H 5.577278 -2.177084 0.402236


