%chk=000125830.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125830

0 1
 O   -3.908100      0.4631000      4.2300001E-02
 O   -3.700400      -1.736700     -0.6029000    
 O    5.173600      -1.220500      0.5717000    
 N    4.216300      0.7198000     -0.3517000    
 N    2.333000      0.1115000      0.6042000    
 N    2.866700      0.5083000     -0.4522000    
 C   -1.768700     -0.4699000     -1.2500000E-02
 C   0.9572000     -8.3099999E-02  0.3968000    
 C  -0.8748000      -1.517300     -0.2340000    
 C   -1.296700      0.7714000      0.4142000    
 C   0.4912000      -1.323600     -2.8700000E-02
 C   6.9300003E-02  0.9654000      0.6193000    
 C   -3.192900     -0.6720000     -0.2262000    
 C   -5.327300      0.3897000     -0.1303000    
 C    5.019700      0.1797000      0.7332000    
 C    4.877900       1.181600      -1.555500    
 C   -5.936000       1.732700      0.2125000    
 H   -1.221400      -2.492400     -0.5663000    
 H   -1.955400       1.615200      0.5994000    
 H    1.180900      -2.145300     -0.2025000    
 H   0.4290000       1.935200      0.9527000    
 H   -5.554200      0.1336000      -1.171100    
 H   -5.734500     -0.3828000      0.5313000    
 H    6.005300      0.6558000      0.7357000    
 H    4.544100      0.3840000       1.697000    
 H    4.162900       1.703300      -2.198700    
 H    5.291600      0.3211000      -2.088000    
 H    5.679100       1.874200      -1.283600    
 H   -7.022500       1.712200      9.1100000E-02
 H   -5.700500       2.009900       1.245300    
 H   -5.522900       2.517900     -0.4292000    
 H    5.491300      -1.367900     -0.3349000    


%chk=000125830-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125830

0 1
O -4.011317 0.528402 -0.022141
O -3.983375 -1.745268 0.495409
O 5.655504 -1.136305 -1.012262
N 4.319850 0.717180 -0.104409
N 2.383181 -0.413076 0.174801
N 2.945518 0.719224 -0.174016
C -1.877673 -0.542496 0.209470
C 0.955016 -0.373219 0.161380
C -1.088545 -1.690443 0.483365
C -1.237087 0.692068 -0.089822
C 0.313613 -1.605924 0.461221
C 0.163267 0.780899 -0.114939
C -3.357863 -0.681412 0.249331
C -5.502174 0.474813 -0.004677
C 5.128391 -0.476832 0.187173
C 4.957998 1.911997 -0.669274
C -5.998261 1.889800 -0.284544
H -1.596083 -2.633341 0.710722
H -1.854968 1.570130 -0.298008
H 0.939830 -2.479202 0.668810
H 0.661852 1.727160 -0.343397
H -5.833409 -0.250225 -0.770472
H -5.826838 0.098756 0.982642
H 5.948200 -0.174745 0.868916
H 4.462391 -1.212791 0.656869
H 4.251395 2.752366 -0.600886
H 5.232512 1.771133 -1.733533
H 5.868180 2.156826 -0.092216
H -7.103542 1.905295 -0.284502
H -5.641327 2.592517 0.487859
H -5.646320 2.244492 -1.268519
H 6.444885 -0.643679 -1.351950


