%chk=000100596.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100596

0 1
 O    4.573500       2.013300     -8.8000000E-03
 O    6.026300      9.2399999E-02  7.3299997E-02
 O  -0.1936000      0.3689000     -8.6199999E-02
 N   -2.468400      0.7385000     -0.1528000    
 N  -0.1586000      -1.867200     -3.2400001E-02
 N   -1.479500      -1.461600     -7.5400002E-02
 C    3.881100      0.8417000      3.5999999E-03
 C    1.977500     -0.5796000     -9.6000005E-03
 C    4.710800     -0.2552000      5.0299998E-02
 C    2.507700      0.7126000     -2.7200000E-02
 C    2.825300      -1.700400      3.8100000E-02
 C    4.212800      -1.541700      6.8700001E-02
 C   0.5469000     -0.7674000     -4.0899999E-02
 C    5.931900       1.531000      3.6200002E-02
 C   -1.451900     -0.1496000     -0.1056000    
 C   -3.875000      0.5350000     -5.2800000E-02
 C   -4.721900       1.633000      4.6000001E-03
 C   -4.377000     -0.7583000     -1.3900000E-02
 C   -6.098900       1.433600      0.1032000    
 C   -5.754000     -0.9575000      8.4600002E-02
 C   -6.614900      0.1385000      0.1431000    
 H    1.889200       1.603400     -6.4099997E-02
 H    2.417200      -2.708700      5.1899999E-02
 H    4.869900      -2.403100      0.1052000    
 H    6.419400       1.937800      0.9296000    
 H    6.463000       1.894800     -0.8510000    
 H   -2.220400       1.724200     -0.1974000    
 H   -4.331600       2.646600     -2.5500000E-02
 H   -3.762400      -1.647100     -6.4499997E-02
 H   -6.769400       2.286800      0.1487000    
 H   -6.157200      -1.965800      0.1137000    
 H   -7.687100     -1.6799999E-02  0.2192000    


%chk=000100596-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100596

0 1
O 4.802205 2.013160 -0.022111
O 6.179551 0.043034 -0.001732
O -0.247649 0.478250 0.006624
N -2.579510 0.814359 0.007607
N -0.146612 -1.808919 0.034144
N -1.536775 -1.427757 0.032107
C 3.999980 0.845944 -0.006603
C 2.030417 -0.530183 0.013831
C 4.811952 -0.309738 0.005303
C 2.609518 0.778077 -0.002804
C 2.850951 -1.693290 0.025742
C 4.262970 -1.596555 0.021571
C 0.584518 -0.693866 0.018953
C 6.210119 1.532998 -0.019075
C -1.547179 -0.084547 0.016040
C -3.973422 0.524680 0.014202
C -4.871982 1.624270 0.003884
C -4.470738 -0.804518 0.030551
C -6.262507 1.395565 0.009946
C -5.866770 -1.012920 0.036372
C -6.769872 0.074793 0.026256
H 1.987518 1.675319 -0.012056
H 2.367406 -2.674231 0.038331
H 4.897207 -2.485938 0.030652
H 6.711549 1.890709 0.896358
H 6.708214 1.869367 -0.944356
H -2.305998 1.798364 -0.005335
H -4.485751 2.651746 -0.008745
H -3.770719 -1.644377 0.038383
H -6.948842 2.249403 0.001930
H -6.248519 -2.039817 0.048962
H -7.850530 -0.101283 0.030970


