%chk=000102048.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102048

0 1
 O   -1.104200     -0.6066000      6.6500001E-02
 N   -2.080800      -1.790000      -1.561600    
 N  -0.7199000      -1.772200      -1.803900    
 C   -4.218100      0.3653000     -5.4000001E-03
 C   -3.459400     -0.7866000      0.2591000    
 C   -5.393200      0.6076000      0.7452000    
 C   -2.246100      -1.101300     -0.4683000    
 C   -3.853300      -1.686600       1.249600    
 C    1.176300     -0.7248000     -0.5674000    
 C    3.844200     -5.0999999E-02 -5.6899998E-02
 C   -3.836600       1.281800     -0.9989000    
 C   -5.774700     -0.3092000       1.738300    
 C   -6.151800       1.759600      0.4806000    
 C  -0.1903000      -1.070500     -0.8292000    
 C   -5.008700      -1.448200       1.987900    
 C    5.223500      0.2974000      0.2069000    
 C    1.508500      4.5200001E-02  0.5528000    
 C    2.190800      -1.154800      -1.429900    
 C    2.838100      0.3810000      0.8072000    
 C    3.520500     -0.8190000      -1.175500    
 C   -4.602300       2.421100      -1.248300    
 C   -5.757500       2.659600     -0.5099000    
 C    5.759000       1.472600     -0.3200000    
 C    6.017600     -0.5420000      0.9882000    
 C    7.088800       1.808600     -6.5600000E-02
 C    7.347200     -0.2060000       1.242800    
 C    7.882800      0.9693000      0.7158000    
 H   -3.270000      -2.580500       1.459400    
 H   -2.942500       1.138100      -1.600900    
 H   -6.674200     -0.1433000       2.327600    
 H   -7.058600       1.966100       1.045400    
 H   -5.315100      -2.149100       2.759000    
 H   0.7529000      0.4006000       1.249400    
 H    1.962600      -1.754400      -2.308200    
 H    3.073500      0.9804000       1.683600    
 H    4.292700      -1.163900      -1.859200    
 H   -4.296300       3.122300      -2.019300    
 H   -6.353100       3.546700     -0.7045000    
 H    5.153900       2.138200     -0.9311000    
 H    5.615900      -1.461900       1.406700    
 H    7.505900       2.723600     -0.4758000    
 H    7.965700     -0.8594000       1.851200    
 H    8.918200       1.230800      0.9140000    


%chk=000102048-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102048

0 1
O -1.247844 -0.663620 0.120737
N -1.985761 -2.813924 -0.011155
N -0.561579 -2.829826 -0.064510
C -4.140976 0.354956 0.268328
C -3.751955 -1.042295 0.187243
C -5.560994 0.661185 0.345229
C -2.374805 -1.529341 0.099174
C -4.743049 -2.048836 0.185746
C 1.208195 -1.030874 0.000281
C 3.896408 -0.049097 -0.027995
C -3.219247 1.456850 0.275629
C -6.527643 -0.395108 0.340121
C -5.990188 2.027906 0.425953
C -0.147450 -1.556764 0.012994
C -6.123564 -1.729524 0.261471
C 5.295008 0.462713 -0.042038
C 1.468764 0.360782 0.122773
C 2.302844 -1.929422 -0.136536
C 2.791058 0.837430 0.108960
C 3.619238 -1.441723 -0.150259
C -3.670906 2.777204 0.354876
C -5.066726 3.072323 0.431334
C 5.599849 1.744464 -0.580265
C 6.364718 -0.316017 0.481935
C 6.924248 2.229948 -0.593589
C 7.689502 0.168623 0.469403
C 7.976985 1.444646 -0.068604
H -4.420284 -3.092439 0.123349
H -2.148840 1.258482 0.218163
H -7.591527 -0.137055 0.399658
H -7.065416 2.235001 0.483573
H -6.863086 -2.536487 0.257881
H 0.634505 1.059518 0.240115
H 2.099152 -2.999799 -0.240287
H 2.972432 1.909694 0.238552
H 4.446357 -2.146112 -0.288748
H -2.944926 3.597899 0.358261
H -5.403627 4.112596 0.493319
H 4.800816 2.351177 -1.021212
H 6.153955 -1.292925 0.931461
H 7.136866 3.215812 -1.021896
H 8.495719 -0.444601 0.887042
H 9.005670 1.821181 -0.079065


