%chk=000079822.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079822

0 1
 O   0.1986000       1.250400      0.5857000    
 O    4.725800      0.3105000      0.8453000    
 O   0.9459000     -0.1315000      -1.102800    
 N    2.501300      0.8529000      0.3834000    
 C   -3.909000      -1.394800      0.6875000    
 C   -3.108900     -0.2536000      0.1573000    
 C    3.473200      -1.382500     -0.2985000    
 C   -4.272500      -2.417500     -0.4058000    
 C   -5.185800     -0.9318000       1.414700    
 C   -1.813800     -3.2499999E-02  0.6259000    
 C   -3.655600      0.5926000     -0.8077000    
 C    3.633400     -8.1000002E-03  0.3622000    
 C   -1.100600       1.028700      0.1166000    
 C    3.860900      -1.306400      -1.774900    
 C    4.344000      -2.431200      0.4021000    
 C   -2.907100       1.659700      -1.304000    
 C   -1.611900       1.880800     -0.8357000    
 C    1.201200      0.5888000     -0.1413000    
 C    2.680900       2.125400       1.089900    
 H   -3.306600      -1.935100       1.430700    
 H    2.439700      -1.724200     -0.1991000    
 H   -3.372700      -2.773900     -0.9195000    
 H   -4.775400      -3.286000      3.3199999E-02
 H   -4.942500      -1.990500      -1.159800    
 H   -5.891900     -0.4456000      0.7331000    
 H   -5.697800      -1.785400       1.872000    
 H   -4.943200     -0.2192000       2.210900    
 H   -1.372800     -0.6810000       1.377100    
 H   -4.662000      0.4390000      -1.186800    
 H    4.913800      -1.026600      -1.893300    
 H    3.706400      -2.270900      -2.269500    
 H    3.266800     -0.5548000      -2.304200    
 H    5.410600      -2.197900      0.3107000    
 H    4.105900      -2.478300       1.470200    
 H    4.176800      -3.424700     -2.7200000E-02
 H   -3.332400       2.318600      -2.055300    
 H   -1.029100       2.711300      -1.221200    
 H    2.442100       1.965000       2.145900    
 H    2.015900       2.892000      0.6807000    
 H    3.712900       2.478400       1.009500    


%chk=000079822-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000079822

0 1
O 0.275799 1.270776 0.143536
O 4.747353 0.471626 0.845420
O 0.927341 -0.926713 -0.383186
N 2.477649 0.710122 0.411520
C -3.970284 -1.429690 0.562435
C -3.203273 -0.196623 0.075788
C 3.690809 -1.520951 -0.091181
C -4.490023 -2.272603 -0.633712
C -5.130952 -1.049686 1.518913
C -1.813780 -0.081694 0.324913
C -3.857559 0.841483 -0.639446
C 3.693218 -0.079704 0.429377
C -1.111724 1.046259 -0.147829
C 3.776784 -1.490318 -1.646990
C 4.876464 -2.299912 0.517036
C -3.140665 1.968728 -1.094422
C -1.753192 2.081354 -0.853159
C 1.217206 0.220824 0.020580
C 2.590488 2.125377 0.866883
H -3.259757 -2.062024 1.131616
H 2.738481 -2.006995 0.175551
H -3.661552 -2.573593 -1.299441
H -4.995829 -3.186979 -0.272031
H -5.218136 -1.698567 -1.236716
H -5.890492 -0.433471 1.002874
H -5.635498 -1.959746 1.893035
H -4.762488 -0.474938 2.387496
H -1.286773 -0.872201 0.865918
H -4.932454 0.769948 -0.841104
H 4.693176 -0.966635 -1.975380
H 3.815150 -2.525987 -2.028642
H 2.896909 -0.999313 -2.095583
H 5.837206 -1.823929 0.258518
H 4.810585 -2.342182 1.618701
H 4.874735 -3.334395 0.128162
H -3.658194 2.764445 -1.641120
H -1.175841 2.945427 -1.194531
H 1.930992 2.302849 1.730244
H 2.302859 2.810878 0.054459
H 3.639764 2.288855 1.149499


