%chk=000094692.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094692

0 1
 O    2.301900     -0.8063000     -0.2346000    
 O   -1.928700      -1.229200      -1.906900    
 O  -0.9718000       1.870100       1.471400    
 N   0.1760000     -0.9956000      -1.026100    
 N   0.6698000      0.4414000      0.7940000    
 C   -1.699400     -4.6100002E-02  0.2025000    
 C   -2.209900      -1.072000       1.226000    
 C   -2.860700      0.8558000     -0.2431000    
 C   -1.188500     -0.7917000      -1.027900    
 C  -0.6428000      0.8564000      0.8567000    
 C   -1.075500      -1.920600       1.757300    
 C   -2.398000       1.875300      -1.260900    
 C    1.013500     -0.4122000     -0.1096000    
 C    3.208700      0.2174000      0.1620000    
 C    4.633900     -0.2974000      2.9800000E-02
 C    2.971600       1.454600     -0.6907000    
 H   -2.964400      -1.726400      0.7719000    
 H   -2.691700     -0.5623000       2.069700    
 H   -3.303300       1.380200      0.6135000    
 H   -3.668900      0.2577000     -0.6835000    
 H  -0.5753000      -2.507000      0.9831000    
 H  -0.3387000      -1.347600       2.325500    
 H   -1.489300      -2.651200       2.463300    
 H   -1.633800       2.555600     -0.8757000    
 H   -2.012600       1.415200      -2.175500    
 H   -3.249300       2.498000      -1.559100    
 H   0.5810000      -1.577400      -1.753100    
 H    3.065300      0.4566000       1.224200    
 H    5.362700      0.4548000      0.3465000    
 H    4.772600      -1.197100      0.6390000    
 H    4.851100     -0.5828000      -1.005400    
 H    3.767100       2.190200     -0.5275000    
 H    2.030100       1.969200     -0.4838000    
 H    2.963300       1.196600      -1.756100    


%chk=000094692-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094692

0 1
O 2.316183 -0.358451 -0.732059
O -1.969273 -1.736596 -1.587808
O -1.053744 1.521771 1.913244
N 0.156711 -0.980535 -1.086693
N 0.674183 0.629165 0.642971
C -1.765099 -0.135518 0.277593
C -2.413543 -1.089908 1.346045
C -2.876650 0.808425 -0.295103
C -1.235618 -1.010232 -0.868635
C -0.691878 0.734529 0.999952
C -1.431700 -2.081830 2.002558
C -2.382422 1.792727 -1.374906
C 1.020107 -0.184278 -0.331197
C 3.390975 0.450958 -0.017316
C 4.665943 -0.376576 -0.175278
C 3.451940 1.844584 -0.651050
H -3.228838 -1.640736 0.841107
H -2.862943 -0.437871 2.117375
H -3.288366 1.368464 0.563782
H -3.676907 0.166472 -0.707334
H -0.984540 -2.768672 1.259939
H -0.614151 -1.556211 2.529155
H -1.960667 -2.702405 2.747573
H -1.596020 2.464065 -0.983336
H -1.983404 1.262831 -2.259926
H -3.217037 2.428088 -1.721215
H 0.545660 -1.566371 -1.832618
H 3.068635 0.524175 1.036397
H 5.499459 0.130616 0.342959
H 4.544335 -1.381289 0.263814
H 4.935619 -0.487316 -1.240165
H 4.256082 2.431382 -0.170752
H 2.501612 2.382554 -0.501034
H 3.671355 1.776190 -1.731140


