%chk=000078796.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078796

0 1
 O   -2.954800     -0.5016000      3.5000001E-03
 O    1.370400       1.880400     -0.1547000    
 N  -0.2511000      0.2670000      0.2512000    
 C   -1.325600       1.253300      0.3798000    
 C  -0.6742000      -1.104300      0.5649000    
 C   -2.548400      0.8058000     -0.4099000    
 C   -1.921500      -1.462000     -0.2334000    
 C    1.043600      0.7004000     -1.4400000E-02
 C    2.104200     -0.3190000     -0.1354000    
 C    2.833500     -0.7037000       1.101300    
 C    2.323800     -0.8163000      -1.352800    
 H  -0.9989000       2.242400      4.5200001E-02
 H   -1.565400       1.317300       1.447700    
 H  -0.8920000      -1.123700       1.639300    
 H   0.1199000      -1.827500      0.3682000    
 H   -3.383400       1.489900     -0.2303000    
 H   -2.346900      0.7966000      -1.487700    
 H   -1.709100      -1.505900      -1.308300    
 H   -2.297100      -2.442500      7.5099997E-02
 H    3.347200      0.1643000       1.527500    
 H    3.587000      -1.473900      0.9057000    
 H    2.143400      -1.097400       1.854200    
 H    3.087000      -1.569700      -1.518500    
 H    1.752800     -0.4913000      -2.216700    


%chk=000078796-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078796

0 1
O -3.040791 -0.443810 -0.373721
O 1.318702 1.815802 0.453148
N -0.335262 0.179166 0.384853
C -1.402990 1.194572 0.544307
C -0.840128 -1.207515 0.487358
C -2.511421 0.929236 -0.491698
C -1.959996 -1.427701 -0.550049
C 0.993840 0.590400 0.309221
C 2.074643 -0.433829 0.024886
C 3.283102 -0.344186 0.934518
C 2.015573 -1.247557 -1.064223
H -0.949494 2.191034 0.412791
H -1.824328 1.128647 1.567682
H -1.262912 -1.357422 1.502650
H -0.019081 -1.924633 0.338411
H -3.377421 1.589707 -0.322909
H -2.113655 1.091196 -1.516677
H -1.542378 -1.350973 -1.578303
H -2.436532 -2.412887 -0.417143
H 3.649419 0.697740 0.958694
H 4.095699 -1.007525 0.593944
H 3.021059 -0.614766 1.975751
H 2.852800 -1.904440 -1.327369
H 1.155953 -1.251657 -1.744623


