%chk=000065752.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065752

0 1
 O   -2.861800       2.584200      0.1979000    
 N  -0.9629000       1.227400      9.8200001E-02
 N    1.732600      -1.339600      0.1876000    
 N   -1.193700      -1.149400      5.1000002E-03
 C    1.841600      0.8511000     -0.1501000    
 C    1.318200       2.220900     -0.3791000    
 C   0.9779000     -0.2068000      4.3600000E-02
 C  -4.6000000E-02   2.372200      0.3095000    
 C  -0.4574000     -8.5100003E-02  5.5900000E-02
 C    3.170300      0.3506000     -0.1056000    
 C    3.073200      -1.027400      0.1106000    
 C   -2.340400       1.476900      0.1025000    
 C   -3.194600      0.2728000      8.1000002E-03
 C    4.449500      0.9279000     -0.2334000    
 C   -2.586500     -0.9868000     -2.6500000E-02
 C    4.196900      -1.855700      0.2101000    
 C    5.581400      0.1108000     -0.1346000    
 C    5.454700      -1.259300      8.4299996E-02
 C   -4.588100      0.3960000     -3.1199999E-02
 C   -3.396700      -2.125500     -0.1025000    
 C   -5.381200     -0.7478000     -0.1076000    
 C   -4.786800      -2.007300     -0.1429000    
 H    2.011200       2.980800     -3.1000001E-03
 H    1.203000       2.377600      -1.458500    
 H   9.6900001E-02   2.443800       1.395800    
 H  -0.5248000       3.302600     -1.4600000E-02
 H    1.363900      -2.268800      0.3364000    
 H    4.564200       1.994400     -0.4051000    
 H    4.099900      -2.923100      0.3777000    
 H    6.570100      0.5516000     -0.2308000    
 H    6.347200      -1.875500      0.1570000    
 H   -5.071100       1.368800     -3.0000000E-03
 H   -2.947700      -3.115500     -0.1321000    
 H   -6.463100     -0.6572000     -0.1388000    
 H   -5.405300      -2.898200     -0.2022000    


%chk=000065752-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000065752

0 1
O -2.825592 2.677951 0.048080
N -0.966679 1.246930 0.133862
N 1.715762 -1.342942 0.257315
N -1.185616 -1.174022 0.091383
C 1.871436 0.921054 -0.074400
C 1.303647 2.296941 -0.316039
C 0.997859 -0.150896 0.141040
C -0.066254 2.417826 0.388235
C -0.447406 -0.064037 0.134499
C 3.204709 0.372644 -0.091410
C 3.075204 -1.055396 0.125455
C -2.372468 1.493119 0.042582
C -3.198177 0.271980 -0.039018
C 4.501068 0.931213 -0.263259
C -2.577550 -1.021174 0.014817
C 4.199633 -1.909066 0.175479
C 5.619302 0.080188 -0.215316
C 5.469085 -1.324032 0.001917
C -4.608799 0.381853 -0.141306
C -3.398000 -2.184191 -0.027979
C -5.404105 -0.774987 -0.187681
C -4.792723 -2.060048 -0.128105
H 1.962915 3.091517 0.079721
H 1.195543 2.485342 -1.403407
H 0.085009 2.486125 1.483504
H -0.625319 3.309937 0.064626
H 1.268785 -2.250475 0.380487
H 4.627352 2.006634 -0.430407
H 4.093743 -2.986422 0.341191
H 6.624976 0.494100 -0.345755
H 6.361897 -1.958254 0.033489
H -5.046090 1.384961 -0.177546
H -2.908418 -3.161845 0.013470
H -6.492859 -0.691547 -0.268134
H -5.417271 -2.959581 -0.162789


