%chk=000036042.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036042

0 1
 O    1.333000      -2.581800     -0.6313000    
 N  -0.6778000      -1.567600     -7.3899999E-02
 N   8.1000002E-03   1.272200     -0.8770000    
 C   -1.549100     -0.4278000      7.5999998E-02
 C   -1.245300      0.8583000     -0.4011000    
 C    1.261900      0.8860000     -0.4008000    
 C    1.563800     -0.4047000      1.5500000E-02
 C   0.7119000      -1.573500     -0.2746000    
 C   -2.842300     -0.6273000      0.6231000    
 C   -2.239100       1.869600     -0.3451000    
 C    2.239100       1.890200     -0.2344000    
 C    2.817300     -0.6763000      0.6013000    
 C   -1.321800      -2.892200     -6.2600002E-02
 C   -3.801200      0.3863000      0.6839000    
 C   -3.502400       1.639600      0.1871000    
 C    3.478700       1.618000      0.3429000    
 C    3.765000      0.3309000      0.7709000    
 H   1.6000000E-03   2.162900      -1.365000    
 H   -3.144600      -1.590400       1.027900    
 H   -2.012700       2.871100     -0.7094000    
 H    2.024000       2.913000     -0.5398000    
 H    3.075600      -1.682600      0.9250000    
 H   -2.204900      -2.888700     -0.7100000    
 H   -1.588600      -3.151200      0.9669000    
 H  -0.6561000      -3.677600     -0.4316000    
 H   -4.778300      0.1854000       1.112800    
 H   -4.237200       2.437300      0.2225000    
 H    4.209400       2.411500      0.4653000    
 H    4.725400      0.1055000       1.224100    


%chk=000036042-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036042

0 1
O 1.239454 -2.772231 0.169812
N -0.701173 -1.563181 -0.145202
N -0.000379 1.184678 -0.963992
C -1.566458 -0.437795 0.089030
C -1.255527 0.872652 -0.372655
C 1.248572 0.869661 -0.377164
C 1.527420 -0.392526 0.226177
C 0.682412 -1.628429 0.099855
C -2.830231 -0.659146 0.696390
C -2.225747 1.901576 -0.259738
C 2.267138 1.864002 -0.415109
C 2.798869 -0.588185 0.832248
C -1.350641 -2.869500 -0.423466
C -3.790579 0.368320 0.803580
C -3.493377 1.655814 0.305268
C 3.523075 1.639402 0.175564
C 3.787877 0.411213 0.829451
H -0.000333 2.065496 -1.484771
H -3.068102 -1.656727 1.077626
H -1.973127 2.906570 -0.621106
H 2.053902 2.826721 -0.897153
H 2.997688 -1.574909 1.261660
H -2.276907 -2.692848 -0.992820
H -1.581591 -3.427294 0.503760
H -0.653632 -3.486722 -1.009437
H -4.759880 0.160851 1.268134
H -4.229643 2.463565 0.369462
H 4.287736 2.423268 0.137339
H 4.756583 0.231804 1.305856


