%chk=000040238.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040238

0 1
 O  -0.9916000      0.6540000      -1.860400    
 O   -1.337400     -0.3347000       2.717000    
 O   -1.753100      -3.641400     -0.4373000    
 N    1.129300      0.9307000     -0.3585000    
 N   -1.469900      -1.474400      -1.150900    
 N   -1.643300      -1.968200       1.135600    
 C    2.572200      0.7328000     -0.2356000    
 C    2.866900     -0.2667000      0.8884000    
 C    3.147200      0.2482000      -1.571000    
 C   0.5707000       1.439400      0.8848000    
 C  -0.9460000       1.658700      0.7687000    
 C   -1.728900      0.3809000      0.4335000    
 C    4.362800     -0.5578000      0.9964000    
 C    4.642800     -4.2800002E-02  -1.459900    
 C    4.941900      -1.029300     -0.3345000    
 C   -3.233300      0.7030000      0.3892000    
 C    1.273400       2.748800       1.240900    
 C   -1.335700     -0.1077000     -0.9570000    
 C   -1.524800     -0.6474000       1.541500    
 C   -3.539000       1.652700     -0.7210000    
 C   -1.647100      -2.443200     -0.1703000    
 C   -4.357100       1.364600      -1.739400    
 H    3.089800       1.676700     -3.0600000E-02
 H    2.327300      -1.207300      0.7152000    
 H    2.569400      0.1037000       1.873500    
 H    2.983700       1.001800      -2.351300    
 H    2.628400     -0.6634000      -1.896400    
 H   0.7089000      0.7420000       1.712700    
 H   -1.312700       2.079400       1.715600    
 H   -1.106200       2.440600      1.5699999E-02
 H   0.9406000       1.583700      -1.119100    
 H    4.889000      0.3479000       1.322700    
 H    4.535900      -1.321400       1.763200    
 H    5.010900     -0.4459000      -2.410100    
 H    5.185000      0.8934000      -1.278900    
 H    6.025400      -1.162200     -0.2389000    
 H    4.520500      -2.009800     -0.5881000    
 H   -3.820200     -0.2186000      0.2753000    
 H   -3.559400       1.149200       1.337800    
 H    2.281100       2.599000       1.641000    
 H    1.327500       3.435000      0.3876000    
 H   0.7198000       3.270900       2.030900    
 H   -1.347600      -1.812200      -2.101400    
 H   -1.648600      -2.670200       1.870400    
 H   -3.137300       2.660600     -0.6728000    
 H   -4.570100       2.107800      -2.500000    
 H   -4.823500      0.3904000      -1.835700    


%chk=000040238-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040238

0 1
O -1.278465 1.074180 -2.089437
O -0.976223 -0.344572 2.512784
O -0.629694 -3.386675 -0.981458
N 1.169349 1.056937 -0.231310
N -1.099701 -1.153783 -1.498435
N -0.875262 -1.833193 0.747857
C 2.584286 0.622038 -0.054566
C 2.717132 -0.470451 1.035154
C 3.117007 0.089458 -1.406031
C 0.560692 1.887561 0.844291
C -0.981295 1.911389 0.667833
C -1.580925 0.528466 0.295493
C 4.182494 -0.949967 1.169352
C 4.578974 -0.403006 -1.290966
C 4.727783 -1.471199 -0.181422
C -3.165958 0.538235 0.465220
C 1.110091 3.334909 0.915954
C -1.261379 0.210904 -1.171349
C -1.093145 -0.548096 1.274767
C -3.897196 1.526340 -0.415119
C -0.858047 -2.206818 -0.608618
C -4.939750 1.199930 -1.217727
H 3.235940 1.480719 0.248186
H 2.069179 -1.323059 0.748134
H 2.350808 -0.098546 2.011033
H 3.041790 0.882632 -2.178351
H 2.464628 -0.746565 -1.732466
H 0.780876 1.380518 1.801140
H -1.442126 2.268356 1.606214
H -1.248799 2.617563 -0.139863
H 1.034880 1.500217 -1.154349
H 4.816270 -0.108692 1.519785
H 4.248224 -1.740712 1.941072
H 4.913598 -0.810805 -2.264133
H 5.240257 0.458026 -1.061063
H 5.789284 -1.768494 -0.078169
H 4.164448 -2.381238 -0.473381
H -3.562100 -0.479842 0.285231
H -3.344773 0.775735 1.533593
H 2.204213 3.340701 1.070556
H 0.890287 3.884172 -0.019671
H 0.650524 3.891457 1.754038
H -1.015174 -1.382371 -2.493712
H -0.645345 -2.576849 1.414832
H -3.570041 2.573371 -0.361482
H -5.462011 1.955981 -1.813812
H -5.298004 0.166443 -1.307129


