%chk=000046029.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046029

1 1
 O   -2.494400      0.1809000      0.9836000    
 O   -2.975200      0.1998000      -1.291100    
 N    2.917900      0.8863000     -0.2656000    
 N   -4.664800     -5.3500000E-02  0.2783000    
 C    1.440500      0.6762000      7.4900001E-02
 C   0.9879000     -0.5965000      0.1735000    
 C    1.841300      -1.805600     -3.0099999E-02
 C    3.199900       2.384900     -0.3232000    
 C    3.210600      0.2265000      -1.610200    
 C    3.844700      0.2676000      0.7789000    
 C   0.7029000       1.801300      0.2511000    
 C  -0.3611000     -0.7670000      0.4848000    
 C    1.370000      -2.662400      -1.219200    
 C    1.938800      -2.674800       1.236700    
 C   -1.178000      0.3467000      0.6794000    
 C  -0.6460000       1.630900      0.5624000    
 C   -3.357000      0.1146000     -0.1276000    
 C   -5.778000     -0.1558000     -0.6364000    
 H    2.870200      -1.629700     -0.2620000    
 H    3.053400       2.836100      0.6645000    
 H    4.258200       2.507300     -0.5865000    
 H    2.618500       2.847400      -1.128700    
 H    2.284000      3.5399999E-02  -2.159400    
 H    3.781100      0.9485000      -2.207700    
 H    3.854000     -0.6528000      -1.538800    
 H    4.299200     -0.6738000      0.4674000    
 H    4.680700      0.9572000      0.9452000    
 H    3.306200      0.1658000       1.726300    
 H    1.018300       2.832000      0.1859000    
 H  -0.7931000      -1.759900      0.5805000    
 H    1.308000      -2.074000      -2.140200    
 H    2.066400      -3.489700      -1.397500    
 H   0.3826000      -3.101400      -1.039200    
 H   0.9702000      -3.104200       1.514600    
 H    2.633300      -3.508100       1.080800    
 H    2.302400      -2.091600       2.089400    
 H   -1.278400       2.501700      0.7142000    
 H   -4.855100     -0.1088000       1.274100    
 H   -6.270800      -1.116300     -0.4675000    
 H   -5.448300     -8.5500002E-02  -1.675600    
 H   -6.477800      0.6534000     -0.4136000    


%chk=000046029-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046029

1 1
O -2.586049 0.754856 0.156751
O -3.047959 -1.590894 -0.064517
N 3.163579 1.000738 -0.113058
N -4.729157 0.035680 0.195525
C 1.629830 0.834329 -0.052238
C 1.001846 -0.446543 -0.145071
C 1.663481 -1.833636 -0.313194
C 3.611284 2.462785 0.008766
C 3.703147 0.513697 -1.468592
C 3.830710 0.264596 1.061163
C 0.850941 2.009121 0.102575
C -0.416231 -0.478859 -0.074548
C 1.220698 -2.508992 -1.641720
C 1.358197 -2.751075 0.904125
C -1.188172 0.692370 0.078064
C -0.547733 1.948560 0.167598
C -3.449671 -0.414674 0.080207
C -5.886567 -0.870826 0.161661
H 2.762779 -1.745702 -0.364757
H 3.290415 2.872532 0.976523
H 4.710458 2.478465 -0.048207
H 3.195591 3.051662 -0.820515
H 3.248502 1.132703 -2.256009
H 4.798603 0.627993 -1.475423
H 3.434668 -0.535044 -1.630005
H 3.587232 -0.802080 1.028951
H 4.921242 0.403974 0.992904
H 3.446631 0.700056 1.995321
H 1.303355 2.998329 0.176986
H -0.933435 -1.436444 -0.140387
H 1.443860 -1.877865 -2.521889
H 1.742879 -3.474374 -1.765806
H 0.136508 -2.713793 -1.647532
H 0.277836 -2.957806 0.990411
H 1.874947 -3.719958 0.784954
H 1.686595 -2.297825 1.857844
H -1.146302 2.855070 0.286357
H -4.870165 1.040891 0.307811
H -6.456818 -0.811804 1.105122
H -5.520254 -1.900438 0.031530
H -6.554101 -0.620675 -0.681278


