%chk=000045255.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045255

0 1
 O  -0.2390000      -1.431800     -0.5964000    
 O   0.4110000      -2.675000       1.228700    
 N   -3.273300      0.2289000     -0.3504000    
 C   -3.331600       1.663800     -1.1400000E-02
 C   -3.981300       1.842300       1.374200    
 C   -4.584600     -0.4287000     -0.3293000    
 C   -5.349400       1.173400       1.468700    
 C   -5.257600     -0.2844000       1.035800    
 C   -2.573200     -3.6400001E-02  -1.604000    
 C   -4.015100       2.556900      -1.058500    
 C   -2.326600      -1.532800      -1.766400    
 C   -1.497800      -2.090400     -0.6169000    
 C    5.538800       1.117200      4.4199999E-02
 C   0.6248000      -1.821400      0.3820000    
 C    4.260800      0.3532000      0.1316000    
 C    1.896800      -1.060500      0.2957000    
 C    4.259800     -0.9482000      0.6337000    
 C    3.066900      0.9399000     -0.2876000    
 C    3.064700      -1.662900      0.7166000    
 C    1.871800      0.2254000     -0.2047000    
 C    5.905900       1.487000      -1.405300    
 C    5.528100       2.384600      0.9198000    
 H   -2.298600       2.024300      8.7200001E-02
 H   -3.321600       1.405100       2.136000    
 H   -4.073600       2.907000       1.619300    
 H   -5.241700     -3.2800000E-02  -1.113200    
 H   -4.512300      -1.507000     -0.4914000    
 H   -5.723600       1.233800       2.496900    
 H   -6.071500       1.703000      0.8366000    
 H   -6.261300     -0.7231000       1.003200    
 H   -4.687700     -0.8492000       1.785000    
 H   -1.612900      0.4935000      -1.621200    
 H   -3.147800      0.3186000      -2.468400    
 H   -5.046600       2.253900      -1.260600    
 H   -3.468300       2.549900      -2.006800    
 H   -4.039300       3.596700     -0.7134000    
 H   -1.753500      -1.661900      -2.694700    
 H   -3.242600      -2.112500      -1.909200    
 H   -2.004900      -1.971600      0.3469000    
 H   -1.334400      -3.161100     -0.7882000    
 H    6.355700      0.4863000      0.4206000    
 H    5.181000      -1.420700      0.9640000    
 H    3.044200       1.953200     -0.6790000    
 H    3.077100      -2.676600       1.105900    
 H   0.9540000      0.7096000     -0.5246000    
 H    5.184000       2.183100      -1.845900    
 H    6.892300       1.962000      -1.442100    
 H    5.939300      0.5931000      -2.038200    
 H    5.289200       2.136700       1.960000    
 H    6.510800       2.868200      0.9067000    
 H    4.791600       3.116900      0.5718000    


%chk=000045255-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045255

0 1
O -0.174844 -1.289894 -0.704243
O 0.468499 -2.523612 1.166672
N -3.649145 0.134448 -0.351655
C -3.505327 1.392339 0.444492
C -4.292569 1.243063 1.772395
C -5.055866 -0.237932 -0.638464
C -5.772901 0.863638 1.535555
C -5.859281 -0.411610 0.667375
C -2.757276 0.046179 -1.530672
C -3.893281 2.690992 -0.324105
C -2.322189 -1.409949 -1.826361
C -1.485932 -2.010062 -0.698287
C 5.834400 1.246457 0.045795
C 0.728619 -1.651897 0.298090
C 4.498362 0.502503 0.098498
C 2.008912 -0.893397 0.202112
C 4.234468 -0.444024 1.122558
C 3.488519 0.736081 -0.874525
C 3.008323 -1.136333 1.177605
C 2.259183 0.051685 -0.827432
C 6.617078 0.917384 -1.254046
C 5.639335 2.778845 0.200063
H -2.428878 1.469671 0.699660
H -3.810167 0.446027 2.370969
H -4.218650 2.185281 2.349156
H -5.565565 0.518395 -1.290189
H -5.057199 -1.189286 -1.202572
H -6.282533 0.705497 2.505055
H -6.305457 1.694227 1.029708
H -6.912932 -0.650985 0.424846
H -5.439672 -1.268072 1.230384
H -1.847962 0.640381 -1.321605
H -3.224169 0.479090 -2.449553
H -4.966008 2.718311 -0.585877
H -3.312377 2.784991 -1.259870
H -3.675461 3.578887 0.298072
H -1.749015 -1.440842 -2.773204
H -3.213982 -2.051339 -1.968535
H -1.972835 -1.853173 0.280303
H -1.286335 -3.087662 -0.839292
H 6.445214 0.897621 0.902815
H 5.001120 -0.639057 1.882347
H 3.666142 1.460182 -1.678628
H 2.803030 -1.869274 1.965030
H 1.487239 0.234644 -1.580340
H 6.062193 1.255828 -2.148745
H 7.598814 1.426127 -1.252695
H 6.788697 -0.169385 -1.353670
H 5.111092 3.022864 1.139132
H 6.617946 3.293757 0.207577
H 5.047524 3.190887 -0.638397


