%chk=000040905.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040905

0 1
 O   0.1605000      0.8057000      0.9351000    
 O   -2.831100      -1.261300     -0.9488000    
 N    3.533500     -4.3099999E-02 -0.2850000    
 N   -2.770700      -2.641400     -0.7975000    
 C    2.258600     -0.2162000      0.4107000    
 C    4.345400      -1.254200     -0.1726000    
 C    4.256700       1.108800      0.2522000    
 C    1.392400       1.024200      0.2602000    
 C    3.623900      -2.444500     -0.7165000    
 C    5.535500       1.339500     -0.4854000    
 C  -0.9375000       1.463700      0.4456000    
 C   -2.049700      0.7622000     -9.3999999E-03
 C   -2.083700     -0.6818000      1.8900000E-02
 C  -0.9186000       2.855000      0.4125000    
 C   -3.153600       1.458300     -0.5020000    
 C   -2.022400       3.551100     -7.9999998E-02
 C   -3.139800       2.852800     -0.5373000    
 C   -1.521700      -1.632100      0.8174000    
 C   -1.983200      -2.838700      0.2635000    
 C   -1.694500      -4.208100      0.7184000    
 H    2.399300     -0.4463000       1.475300    
 H    1.673800      -1.041900     -9.2000002E-03
 H    5.258700      -1.159000     -0.7691000    
 H    4.650400      -1.445000      0.8643000    
 H    3.689900       2.032400      0.1088000    
 H    4.452300       1.005300       1.327000    
 H    1.224300       1.240000     -0.8035000    
 H    1.835200       1.901600      0.7376000    
 H    2.843500      -2.813500     -4.3200001E-02
 H    3.179100      -2.246600      -1.698200    
 H    4.327400      -3.275200     -0.8478000    
 H    6.313400      0.6153000     -0.2231000    
 H    5.394200       1.325200      -1.572000    
 H    5.940100       2.325800     -0.2291000    
 H  -6.0300000E-02   3.414000      0.7744000    
 H   -4.042400      0.9426000     -0.8572000    
 H   -2.013000       4.636800     -0.1048000    
 H   -4.000100       3.395200     -0.9184000    
 H  -0.8830000      -1.495000       1.677600    
 H   -2.617600      -4.725200       1.000200    
 H   -1.205100      -4.784300     -7.3500000E-02
 H   -1.031600      -4.207100       1.589800    


%chk=000040905-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040905

0 1
O 0.107555 0.232978 -0.052369
O -3.867129 -1.049371 0.717954
N 3.830260 -0.039041 -0.120279
N -3.932461 -2.430320 1.213035
C 2.420156 -0.475077 0.015956
C 4.717484 -1.060721 -0.737217
C 4.377616 0.545019 1.135414
C 1.485069 0.694711 -0.321019
C 4.481388 -1.223190 -2.250588
C 5.505267 1.564657 0.886106
C -0.948578 1.123008 -0.284552
C -2.267866 0.639761 -0.007096
C -2.514495 -0.712027 0.492300
C -0.756575 2.440211 -0.767907
C -3.365835 1.516723 -0.230293
C -1.866105 3.286607 -0.978812
C -3.174965 2.826357 -0.710056
C -1.728956 -1.811969 0.822024
C -2.639097 -2.837651 1.256882
C -2.322726 -4.230793 1.726884
H 2.184866 -0.850722 1.039145
H 2.214846 -1.303133 -0.684920
H 5.761326 -0.735272 -0.578030
H 4.614394 -2.052458 -0.228416
H 3.547909 1.059130 1.656692
H 4.736092 -0.254820 1.831419
H 1.596611 0.975164 -1.385775
H 1.712698 1.577177 0.309978
H 3.453307 -1.562079 -2.474745
H 4.642578 -0.260432 -2.765913
H 5.177337 -1.972546 -2.671612
H 6.375045 1.104819 0.383254
H 5.140438 2.387418 0.246937
H 5.859970 1.988626 1.844033
H 0.249476 2.810114 -0.982348
H -4.372609 1.145339 -0.018039
H -1.703268 4.303122 -1.353387
H -4.036753 3.480924 -0.873095
H -0.648372 -1.869385 0.758767
H -1.668065 -4.207330 2.616657
H -3.250010 -4.765656 1.989274
H -1.799321 -4.802875 0.939658


