%chk=000040697.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040697

0 1
 O  -0.2565000      0.7349000      0.5590000    
 O   0.7545000      -1.922100      0.9283000    
 O   0.6661000      -2.343600      -1.333200    
 N    2.243800       3.029800     -0.8703000    
 C   -2.807600       1.971600      0.7159000    
 C   -2.618100      0.5637000      0.2557000    
 C   -1.345000     -3.1000001E-03  0.1944000    
 C   -1.187900      -1.320000     -0.2378000    
 C   -2.303800      -2.070000     -0.6090000    
 C   -3.734000     -0.1865000     -0.1152000    
 C   -3.657900       2.061200       1.996400    
 C   -3.412000       2.870600     -0.3783000    
 C   -3.576800      -1.503400     -0.5478000    
 C   0.3831000       1.491800     -0.4653000    
 C    1.548200       2.253800      0.1456000    
 C   0.1689000      -1.919500     -0.3015000    
 C   -2.166900      -3.482600      -1.076400    
 C    3.076200      -1.362600      0.7552000    
 C    2.062800      -2.472400      0.9960000    
 C    4.508200      -1.888100      0.7983000    
 C    3.121700       2.170200      -1.668200    
 C    3.017700       4.111600     -0.2567000    
 C    5.515300     -0.7850000      0.5146000    
 H   -1.844000       2.422400      0.9785000    
 H   -4.735500      0.2328000     -7.6499999E-02
 H   -4.687100       1.725100       1.831000    
 H   -3.700300       3.094600       2.357500    
 H   -3.227100       1.444400       2.793100    
 H   -4.433000       2.571000     -0.6383000    
 H   -2.808900       2.833300      -1.292100    
 H   -3.447700       3.912500     -4.1999999E-02
 H   -4.456700      -2.073200     -0.8347000    
 H  -0.3306000       2.190800     -0.9177000    
 H   0.7235000      0.8020000      -1.244600    
 H    2.220500       1.579700      0.6900000    
 H    1.124000       2.916900      0.9124000    
 H   -3.140800      -3.978800      -1.153100    
 H   -1.568200      -4.071300     -0.3732000    
 H   -1.702000      -3.513900      -2.066900    
 H    2.939500     -0.5782000       1.509400    
 H    2.881800     -0.8872000     -0.2140000    
 H    2.191000      -2.887100       2.001800    
 H    2.190500      -3.302500      0.2909000    
 H    4.635300      -2.687300      5.8800001E-02
 H    4.715200      -2.321500       1.783700    
 H    2.559600       1.407000      -2.214400    
 H    3.879300       1.670300      -1.054100    
 H    3.641800       2.762500      -2.430100    
 H    2.358700       4.795400      0.2902000    
 H    3.518900       4.710700      -1.025100    
 H    3.777100       3.732800      0.4370000    
 H    5.424900      2.6699999E-02   1.243500    
 H    6.534800      -1.179500      0.5691000    
 H    5.366800     -0.3673000     -0.4861000    


%chk=000040697-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040697

0 1
O -0.260928 1.171320 0.407100
O 0.808262 -2.459000 0.367216
O 1.193223 -0.868422 -1.287317
N 2.173330 3.277113 -1.490209
C -2.993287 2.132118 0.816788
C -2.671614 0.711534 0.349406
C -1.333725 0.287553 0.132826
C -1.028325 -1.050064 -0.249135
C -2.069283 -2.002348 -0.442491
C -3.695161 -0.243996 0.138930
C -3.714329 2.122067 2.191072
C -3.827579 2.904236 -0.240074
C -3.403240 -1.565713 -0.254618
C 0.189803 2.006922 -0.744218
C 1.504911 2.671787 -0.314740
C 0.412461 -1.412127 -0.465836
C -1.788147 -3.438411 -0.850475
C 3.129895 -2.004873 1.161061
C 2.241870 -2.880159 0.266773
C 4.606219 -2.466001 1.124560
C 2.961766 2.296291 -2.266864
C 2.951594 4.489034 -1.174383
C 5.512540 -1.598846 2.024946
H -2.031245 2.659072 0.953814
H -4.740721 0.049988 0.290253
H -4.693974 1.611727 2.129675
H -3.895135 3.156586 2.538051
H -3.107406 1.602232 2.953639
H -4.808841 2.421032 -0.405634
H -3.305241 2.946795 -1.213266
H -4.014952 3.940585 0.097675
H -4.220654 -2.278206 -0.413968
H -0.580254 2.766970 -0.981574
H 0.346699 1.352325 -1.618579
H 2.137960 1.904387 0.192141
H 1.292576 3.461378 0.428792
H -2.726566 -3.963269 -1.097183
H -1.282858 -3.988198 -0.036855
H -1.126015 -3.492698 -1.734449
H 2.750266 -2.043128 2.200272
H 3.058641 -0.953584 0.823810
H 2.230044 -3.930795 0.601921
H 2.557459 -2.817001 -0.790569
H 4.978752 -2.428400 0.080789
H 4.672886 -3.526008 1.444715
H 2.358225 1.397192 -2.475770
H 3.885572 1.963817 -1.727629
H 3.266897 2.742150 -3.230891
H 2.306765 5.229766 -0.669079
H 3.321619 4.944012 -2.111517
H 3.838818 4.295039 -0.518078
H 5.180255 -1.639860 3.079129
H 6.562969 -1.940614 1.987066
H 5.488502 -0.539907 1.706679


