%chk=000047862.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047862

0 1
 O  -0.4768000     -0.1997000      -1.041800    
 O    3.210800       2.828900     -0.3265000    
 O   0.5306000       2.364300      -1.361500    
 O    3.568500      -1.592100       1.135000    
 O    1.692500      -3.294000      -1.767900    
 N   -3.991800     -0.1955000      6.7800000E-02
 N    1.013300      -2.181200      0.1952000    
 C   -4.107500       1.206800      0.4923000    
 C   -5.230300     -0.6606000     -0.5725000    
 C   -5.263200       1.391500       1.476900    
 C   -6.422800     -0.5369000      0.3775000    
 C   -6.577700      0.8905000      0.8896000    
 C   -2.854200     -0.3641000     -0.8359000    
 C   -1.553900     -5.2999998E-03 -0.1346000    
 C   0.7798000      9.6000001E-02 -0.5817000    
 C    1.540600     -0.8933000      4.3200001E-02
 C    1.268600       1.393100     -0.7514000    
 C    3.342400      0.6823000      0.3650000    
 C    2.550900       1.638200     -0.2633000    
 C    2.827900     -0.6165000      0.5239000    
 C    4.553700       1.343100      0.6991000    
 C    4.422300       2.639700      0.2585000    
 C    1.115400      -3.262300     -0.6859000    
 C   0.2297000       3.526600     -0.5931000    
 C    3.425100      -1.717600       2.545400    
 C   0.4060000      -4.481900     -0.1531000    
 H   -3.221300       1.547800       1.033400    
 H   -4.246300       1.870100     -0.3714000    
 H   -5.431600     -9.3999997E-02  -1.491300    
 H   -5.129000      -1.715300     -0.8558000    
 H   -5.047200      0.8470000       2.405100    
 H   -5.358600       2.450600       1.742500    
 H   -7.339500     -0.8466000     -0.1369000    
 H   -6.287300      -1.217700       1.227600    
 H   -6.882600       1.544700      6.3699998E-02
 H   -7.369300      0.9353000       1.645600    
 H   -2.965100      0.2370000      -1.748300    
 H   -2.785400      -1.408400      -1.167900    
 H   -1.412200     -0.6356000      0.7519000    
 H   -1.524200       1.042600      0.1729000    
 H    5.416200      0.9261000       1.199400    
 H   0.4810000      -2.321300       1.051200    
 H    5.067400       3.505700      0.2848000    
 H    1.047200       4.249300     -0.6651000    
 H  -0.6710000       3.985300      -1.011200    
 H   3.3900000E-02   3.276900      0.4554000    
 H    3.746600     -0.8000000       3.048100    
 H    2.388900      -1.946900       2.813000    
 H    4.061500      -2.540300       2.882800    
 H   0.8502000      -4.781200      0.8004000    
 H   0.5016000      -5.306900     -0.8644000    
 H  -0.6550000      -4.259000     -8.7000001E-03


%chk=000047862-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047862

0 1
O -0.555919 -0.323265 -0.364874
O 2.997803 3.060932 0.534318
O 0.096281 2.465682 -0.273398
O 3.993728 -1.454687 1.181751
O 2.982956 -3.051560 -1.204030
N -4.201212 0.104832 0.387246
N 1.196227 -2.244549 0.086810
C -4.657131 1.340968 -0.301500
C -5.301286 -0.885676 0.509001
C -5.822290 2.003089 0.460688
C -6.487206 -0.294310 1.298882
C -6.992513 1.008475 0.637235
C -2.966515 -0.459415 -0.206529
C -1.732040 0.263158 0.348932
C 0.725790 0.131176 0.016089
C 1.677979 -0.914993 0.306514
C 1.075757 1.503617 0.032386
C 3.353166 0.783174 0.746259
C 2.410458 1.781842 0.402062
C 2.992351 -0.592121 0.737117
C 4.576899 1.474531 1.111030
C 4.333714 2.821848 0.968047
C 1.816793 -3.193208 -0.737410
C 0.532495 3.594503 -1.125942
C 3.628964 -2.685515 1.901083
C 0.975967 -4.441983 -1.002143
H -3.806546 2.042623 -0.375338
H -4.987693 1.110180 -1.349764
H -5.664694 -1.217877 -0.500251
H -4.909293 -1.779444 1.029533
H -5.458889 2.329781 1.453929
H -6.155390 2.904317 -0.089279
H -7.299807 -1.043834 1.359008
H -6.150635 -0.077453 2.331196
H -7.425791 0.771382 -0.356891
H -7.800453 1.461916 1.241909
H -2.953435 -0.394502 -1.321398
H -2.902992 -1.532595 0.054557
H -1.626882 0.082072 1.435753
H -1.760699 1.347906 0.161633
H 5.505923 1.006707 1.425978
H 0.178358 -2.322846 0.181372
H 4.932553 3.717002 1.109547
H 0.953878 3.218531 -2.076847
H -0.383525 4.172712 -1.320018
H 1.278161 4.217515 -0.604792
H 2.758219 -2.516895 2.561241
H 3.424216 -3.503971 1.193385
H 4.518361 -2.930356 2.502808
H 1.421324 -5.304209 -0.473833
H 1.010141 -4.666271 -2.081093
H -0.076827 -4.343735 -0.684969


