%chk=000054790.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054790

0 1
 O   0.8402000      0.6796000     -0.6277000    
 N    4.149200     -0.6672000      0.2711000    
 N    5.363900      9.9999998E-03  0.5957000    
 C    1.807200     -0.3342000     -0.3581000    
 C    3.133900      0.3313000     -2.8800000E-02
 C  -0.4593000      0.3861000     -0.3489000    
 C   -3.123100     -0.2142000      0.2224000    
 C   -1.339500       1.402800      2.1700000E-02
 C  -0.9111000     -0.9309000     -0.4339000    
 C   -2.671400       1.102700      0.3074000    
 C   -2.243100      -1.231000     -0.1483000    
 C   -4.546900     -0.5350000      0.5275000    
 H    1.511000     -0.9497000      0.5021000    
 H    1.910800     -0.9722000      -1.244100    
 H    3.438800      0.9535000     -0.8806000    
 H    2.987600       1.015100      0.8183000    
 H  -0.9932000       2.430600      8.9299999E-02
 H  -0.2665000      -1.747300     -0.7458000    
 H   -3.347800       1.903800      0.5933000    
 H   -2.585700      -2.259600     -0.2256000    
 H   -4.644800      -1.545000      0.9401000    
 H   -4.957000      0.1558000       1.272100    
 H   -5.150600     -0.4680000     -0.3830000    
 H    3.857300      -1.233300       1.067100    
 H    5.256400      0.4915000       1.488100    
 H    6.097300     -0.6830000      0.7400000    


%chk=000054790-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054790

0 1
O 0.837669 0.763627 0.194403
N 4.283436 -0.608541 0.334756
N 5.585137 -0.145740 0.004033
C 1.863524 -0.289228 0.150750
C 3.223547 0.417533 0.211832
C -0.508603 0.360673 0.147451
C -3.301035 -0.233630 0.072686
C -1.462126 1.408732 0.190812
C -0.943901 -0.983600 0.065098
C -2.835626 1.108431 0.153508
C -2.331551 -1.262512 0.029128
C -4.788881 -0.540635 0.034844
H 1.732158 -0.975513 1.016106
H 1.780218 -0.878432 -0.783211
H 3.410265 0.968722 -0.723181
H 3.210355 1.159515 1.043990
H -1.104015 2.441236 0.252329
H -0.228377 -1.810313 0.024995
H -3.562622 1.929564 0.187336
H -2.659745 -2.307254 -0.035703
H -4.974413 -1.625016 -0.055317
H -5.298700 -0.188762 0.952033
H -5.283268 -0.043779 -0.821457
H 4.232169 -1.118256 1.232152
H 6.124560 0.341726 0.729285
H 6.113425 -0.796348 -0.577258


