%chk=000022168.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022168

0 1
 O  -0.5567000      0.5502000       1.981700    
 N   -2.828200     -0.2141000      0.3864000    
 C  -0.4299000     -0.3839000      0.9104000    
 C   -1.486700     -0.1055000     -0.1655000    
 C   0.9718000     -0.2749000      0.3515000    
 C   -3.834000      5.3900000E-02 -0.6404000    
 C    1.615100      -1.397400     -0.1430000    
 C    1.585500      0.9674000      0.3511000    
 C    2.878500       1.089700     -0.1580000    
 C   -3.649300       1.458500      -1.208000    
 C   -5.227300     -0.1168000     -4.3400001E-02
 C    2.908000      -1.275100     -0.6518000    
 C    3.539700     -3.1599998E-02 -0.6595000    
 C   0.9591000      -2.739400     -0.1447000    
 C    3.554300       2.419100     -0.1667000    
 H  -0.5912000      -1.368500       1.361800    
 H   -1.359900     -0.7936000      -1.009600    
 H   -1.301600      0.9115000     -0.5274000    
 H   -3.734900     -0.6737000      -1.456200    
 H   -2.968000      -1.148500      0.7698000    
 H    1.078400       1.852600      0.7253000    
 H   -4.520200       1.741500      -1.811000    
 H   -3.547600       2.208800     -0.4155000    
 H   -2.784200       1.530500      -1.874800    
 H   -5.367000      -1.130800      0.3480000    
 H   -5.998300      5.2600000E-02 -0.8029000    
 H   -5.402000      0.5895000      0.7761000    
 H    3.437900      -2.138700      -1.044900    
 H    4.547900      4.9899999E-02  -1.057000    
 H  -1.0500000E-02  -2.708700     -0.6504000    
 H    1.565300      -3.480600     -0.6780000    
 H   0.8301000      -3.105900      0.8788000    
 H   -1.474600      0.5050000       2.300000    
 H    4.318400       2.472900     -0.9497000    
 H    2.836400       3.222400     -0.3643000    
 H    4.033000       2.603500      0.8001000    


%chk=000022168-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022168

0 1
O -0.834587 0.600992 1.683951
N -2.846490 -0.376870 0.223132
C -0.455869 -0.528306 0.838100
C -1.486516 -0.579342 -0.339897
C 0.973868 -0.371099 0.336450
C -3.867334 0.265496 -0.661144
C 1.736901 -1.502599 -0.084595
C 1.534579 0.923912 0.263019
C 2.842290 1.147322 -0.235274
C -3.589723 1.777693 -0.799343
C -5.264039 0.013412 -0.057876
C 3.042592 -1.275831 -0.583755
C 3.589843 0.024562 -0.664971
C 1.202444 -2.924937 0.006504
C 3.424637 2.550066 -0.284828
H -0.545209 -1.474007 1.420415
H -1.380893 -1.521827 -0.917808
H -1.265016 0.259881 -1.021404
H -3.839275 -0.190627 -1.679877
H -3.214435 -1.244838 0.638498
H 0.930401 1.758262 0.635318
H -4.323265 2.240517 -1.484626
H -3.665875 2.269883 0.187176
H -2.580901 1.977665 -1.201831
H -5.494033 -1.068358 -0.005861
H -6.045134 0.495050 -0.671596
H -5.319529 0.430777 0.964505
H 3.642876 -2.134455 -0.909797
H 4.605607 0.164158 -1.054974
H 0.305439 -3.080175 -0.622874
H 1.966207 -3.648711 -0.325999
H 0.919950 -3.190511 1.043701
H -1.838497 0.633940 1.565713
H 4.410266 2.562341 -0.782100
H 2.759728 3.244919 -0.831099
H 3.556294 2.963445 0.733345


