%chk=000000583.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000583

1 1
 O   -3.385600      -1.373700     -0.1173000    
 N   -1.754000      8.4600002E-02  0.7523000    
 N    2.204700      -1.010700     -0.1668000    
 C  -0.8572000       1.111000      0.2437000    
 C   -1.473300       1.452100      -1.112700    
 C   -2.190800      0.1763000      -1.544100    
 C   0.5927000      0.6851000      0.1385000    
 C   -2.557500     -0.4828000     -0.2362000    
 C   -1.782800     -0.2802000       2.155100    
 C   0.9190000     -0.6441000     -7.6499999E-02
 C    1.613100       1.620700      0.2568000    
 C    2.939700       1.211600      0.1586000    
 C    3.210400     -0.1321000     -5.6899998E-02
 C    2.521700      -2.417700     -0.3944000    
 H  -0.9306000       1.976400      0.9145000    
 H  -0.7559000       1.803200      -1.861200    
 H   -2.223000       2.243200     -0.9789000    
 H   -3.083900      0.3946000      -2.134800    
 H   -1.527200     -0.4901000      -2.103300    
 H   -2.042200      0.6046000       2.742500    
 H   -2.527100      -1.061600       2.328800    
 H  -0.7977000     -0.6458000       2.455300    
 H   0.1904000      -1.435900     -0.1919000    
 H    1.388700       2.670600      0.4236000    
 H    3.747300       1.930300      0.2470000    
 H    4.221600     -0.5099000     -0.1478000    
 H    2.447300      -2.604500      -1.469000    
 H    3.531600      -2.636900     -3.7500001E-02
 H    1.810700      -3.040200      0.1562000    


%chk=000000583-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000000583

1 1
O -3.325165 -1.462783 -0.196288
N -1.740133 0.025502 0.717177
N 2.256660 -1.035467 -0.087337
C -0.874496 1.133226 0.303172
C -1.492077 1.580365 -1.077854
C -2.247777 0.330196 -1.586090
C 0.595120 0.715420 0.168212
C -2.541693 -0.490698 -0.320909
C -1.845838 -0.437481 2.105778
C 0.946413 -0.643527 0.069211
C 1.639141 1.676331 0.113439
C 2.977484 1.259281 -0.047056
C 3.270479 -0.109418 -0.147804
C 2.569627 -2.494453 -0.224425
H -0.922311 1.966236 1.032165
H -0.727181 1.947854 -1.781533
H -2.200986 2.403284 -0.888323
H -3.193388 0.572809 -2.095307
H -1.651811 -0.282551 -2.287988
H -2.175011 0.380452 2.772601
H -2.600279 -1.241418 2.129259
H -0.886451 -0.837506 2.487889
H 0.190657 -1.431753 0.116072
H 1.405784 2.743115 0.200026
H 3.797520 1.979640 -0.089730
H 4.285914 -0.490470 -0.271855
H 2.416083 -2.807169 -1.270132
H 3.614709 -2.675354 0.065238
H 1.909105 -3.075560 0.435995


