%chk=000064857.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064857

0 1
 O  -0.3811000      -2.868300      -1.031300    
 O    2.151000      -2.940400     -4.5000002E-02
 O    4.957500      0.5757000       2.510000    
 O    5.787900      0.8854000      -2.196700    
 O    6.500100       1.507000      0.4074000    
 N   -4.212700     -5.8100000E-02  4.3400001E-02
 N   -1.747800      -1.426100      0.1693000    
 C   -4.019500      -1.277700     -0.7578000    
 C   -2.993200      0.6860000      0.3882000    
 C   -2.968900      -2.177200     -0.1107000    
 C   -1.956600     -0.2478000       1.012700    
 C   -5.423800      0.6286000     -0.1001000    
 C  -0.5247000      -1.859100     -0.3364000    
 C   0.6801000      -1.018400      2.4999999E-03
 C    1.929600      -1.646100     -0.6066000    
 C   -6.553600      0.3434000      0.7053000    
 C   -5.564900       1.648800      -1.071200    
 C    3.153400     -0.8013000     -0.3355000    
 C   -7.753000       1.038200      0.5480000    
 C   -6.469400     -0.7226000       1.748800    
 C   -6.764200       2.343500      -1.228200    
 C   -7.858200       2.038200     -0.4188000    
 C    3.911300     -0.3452000      -1.400900    
 C    3.491800     -0.5008000      0.9732000    
 C    4.620900      0.2789000       1.223800    
 C    5.040600      0.4344000      -1.150500    
 C    5.395500      0.7463000      0.1620000    
 C    4.405900       1.767900       3.065600    
 C    5.430200       2.149800      -2.750900    
 C    7.735700      0.8168000      0.5801000    
 H   -3.700500     -0.9942000      -1.768700    
 H   -4.957300      -1.838300     -0.8514000    
 H   -3.221800       1.488400       1.099800    
 H   -2.580400       1.147100     -0.5176000    
 H   -2.763600      -3.035400     -0.7582000    
 H   -3.336700      -2.566100      0.8466000    
 H   -2.312300     -0.6110000       1.984800    
 H   -1.033200      0.3049000       1.192800    
 H   0.7529000     -0.9871000       1.095500    
 H   0.5340000     -4.4000000E-03 -0.3863000    
 H    1.804500      -1.777700      -1.688900    
 H   -4.726700       1.901000      -1.717600    
 H   -8.615500      0.8123000       1.169300    
 H   -6.385700      -1.708900       1.281500    
 H   -7.357600     -0.7342000       2.390100    
 H   -5.606300     -0.5580000       2.402800    
 H   -6.846700       3.121300      -1.981800    
 H   -8.792100       2.578800     -0.5418000    
 H    3.639900     -0.5856000      -2.425300    
 H    2.906700     -0.8712000       1.810000    
 H    1.444700      -3.528900     -0.3599000    
 H    3.313000       1.710400       3.087600    
 H    4.724900       2.644000       2.492000    
 H    4.771800       1.869200       4.091000    
 H    4.412200       2.118300      -3.152200    
 H    5.512600       2.938700      -1.996600    
 H    6.121500       2.373600      -3.567900    
 H    8.518100       1.557300      0.7676000    
 H    7.682400      0.1398000       1.438500    
 H    7.994000      0.2569000     -0.3242000    


%chk=000064857-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064857

0 1
O -0.577478 -3.077976 0.349012
O 2.065173 -2.873136 0.883971
O 6.201137 -0.423416 2.003822
O 4.547791 1.860972 -2.072170
O 6.596170 1.574763 -0.036927
N -4.420948 0.004135 0.042745
N -1.878570 -1.184322 0.647651
C -4.181614 -1.439688 -0.224304
C -3.180397 0.789929 -0.114251
C -3.114750 -1.996557 0.735085
C -2.101330 0.260580 0.856869
C -5.645671 0.573965 -0.448818
C -0.655175 -1.801690 0.462642
C 0.604935 -0.926289 0.402680
C 1.858688 -1.750230 -0.023258
C -6.899432 0.159458 0.110526
C -5.631015 1.583685 -1.451745
C 3.105172 -0.871902 -0.011229
C -8.086771 0.747698 -0.389120
C -6.977369 -0.832979 1.257264
C -6.828117 2.165146 -1.919596
C -8.068044 1.737936 -1.397049
C 3.271362 0.131049 -0.994702
C 4.078974 -1.026129 0.999789
C 5.215968 -0.193711 1.012541
C 4.414700 0.961590 -0.995605
C 5.416361 0.787230 0.000621
C 6.447923 0.715989 2.915183
C 4.848792 3.269246 -1.736628
C 7.808685 0.796338 -0.396121
H -3.843557 -1.590397 -1.276606
H -5.119122 -2.000906 -0.093235
H -3.391700 1.846844 0.124941
H -2.777396 0.741552 -1.155727
H -2.850310 -3.035962 0.483685
H -3.498689 -1.962066 1.774394
H -2.450101 0.424292 1.896602
H -1.164186 0.819257 0.715312
H 0.798316 -0.485891 1.400869
H 0.467904 -0.086154 -0.303970
H 1.682552 -2.121939 -1.057311
H -4.678125 1.906265 -1.884383
H -9.045600 0.437875 0.045200
H -7.056730 -1.881824 0.908032
H -7.867081 -0.635209 1.879914
H -6.076982 -0.762085 1.893733
H -6.790383 2.938552 -2.695101
H -9.004801 2.178370 -1.754991
H 2.541961 0.274312 -1.800180
H 3.959858 -1.802880 1.757995
H 1.221162 -3.410621 0.815502
H 5.534369 0.940021 3.498766
H 6.765831 1.611965 2.352307
H 7.249029 0.380523 3.591671
H 4.017865 3.706863 -1.148948
H 5.792701 3.346438 -1.172707
H 4.929511 3.782900 -2.707012
H 8.640774 1.516815 -0.368583
H 7.973032 -0.014763 0.335569
H 7.701450 0.376972 -1.413414


