%chk=000049981.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049981

0 1
 O    1.836400      9.5500000E-02  0.5431000    
 N   0.4458000      -2.307000      8.6999997E-02
 N   -3.650000      0.2581000     -0.3634000    
 C   0.4919000      0.1190000      0.3202000    
 C  -0.2171000      -1.060300      9.1899998E-02
 C   -2.259200      0.2110000     -0.1334000    
 C   -1.592700      -1.014200     -0.1349000    
 C  -0.1745000       1.344400      0.3217000    
 C   -1.550100       1.390400      9.4899997E-02
 C    2.657200      0.8167000     -0.3731000    
 C    4.012200      0.1465000     -0.4539000    
 H   -2.146300      -1.933700     -0.3133000    
 H   0.3623000       2.270800      0.5065000    
 H   -2.058400       2.351300      0.1003000    
 H    2.206000      0.8384000      -1.372900    
 H    2.772200       1.845400     -1.4600000E-02
 H    4.673100      0.6817000      -1.141400    
 H    4.484100      0.1101000      0.5335000    
 H    3.909900     -0.8888000     -0.7958000    
 H  -7.4500002E-02  -3.158500     -7.7500001E-02
 H    1.443400      -2.346100      0.2498000    
 H   -4.133600       1.146300     -0.3615000    
 H   -4.165200     -0.5965000     -0.5281000    


%chk=000049981-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049981

0 1
O 1.872597 -0.298698 -0.160009
N 0.299768 -2.444517 0.062714
N -3.753444 0.333168 -0.044409
C 0.475186 -0.034049 -0.140677
C -0.336130 -1.207085 -0.019448
C -2.354901 0.216584 -0.076607
C -1.744109 -1.066090 0.011079
C -0.125332 1.233135 -0.227051
C -1.534179 1.369567 -0.196218
C 2.768308 0.856867 -0.285279
C 4.199367 0.322881 -0.282264
H -2.369916 -1.963499 0.103530
H 0.489539 2.134292 -0.318927
H -1.988524 2.364414 -0.265112
H 2.544288 1.399180 -1.228332
H 2.598183 1.551682 0.564371
H 4.917712 1.158328 -0.370514
H 4.409554 -0.220675 0.655110
H 4.359937 -0.366818 -1.128895
H -0.229760 -3.304048 0.158942
H 1.315221 -2.470447 0.037883
H -4.196555 1.243846 -0.105724
H -4.343910 -0.487518 0.040937


