%chk=000032962.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032962

0 1
 O  -0.6528000       1.169100     -0.3671000    
 N   -4.745300      0.3490000      0.2260000    
 N   0.6538000       1.614600     -0.1401000    
 C   -3.380600      0.7849000      0.4964000    
 C   -2.947800       1.833200     -0.5235000    
 C   -5.672300       1.479700      0.3015000    
 C   -5.147300     -0.7001000       1.164700    
 C   -1.516600       2.292400     -0.2797000    
 C   -7.077400       1.027200     -4.6500001E-02
 C   -4.185100      -1.869700       1.084200    
 C    1.448000      0.5933000     -0.2185000    
 C    2.898500      0.7901000     -1.6500000E-02
 C   0.9438000     -0.7538000     -0.5648000    
 C    3.646800     -2.6000000E-03  0.8640000    
 C    1.254500      -1.887700      0.1976000    
 C    3.075300      -1.050500       1.717400    
 C    2.046300      -1.859200       1.432100    
 C    3.507000       1.830100     -0.7359000    
 C   0.1251000     -0.8590000      -1.699900    
 C    5.016400      0.2775000       1.010200    
 C   0.7099000      -3.122800     -0.1944000    
 C    4.868900       2.081500     -0.5868000    
 C  -0.3921000      -2.095200      -2.079700    
 C    5.623900       1.305100      0.2857000    
 C  -0.1008000      -3.227200      -1.326500    
 H   -3.282000       1.185800       1.513800    
 H   -2.678300     -4.8099998E-02  0.4014000    
 H   -3.025300       1.413100      -1.534400    
 H   -3.554600       2.741200     -0.4831000    
 H   -5.662800       1.960100       1.287700    
 H   -5.440500       2.242600     -0.4455000    
 H   -5.201400     -0.3329000       2.197200    
 H   -6.129600      -1.104900      0.9015000    
 H   -1.427200       2.750900      0.7125000    
 H   -1.232100       3.032100      -1.037200    
 H   -7.099200      0.4213000     -0.9592000    
 H   -7.552700      0.4680000      0.7652000    
 H   -7.710300       1.904200     -0.2261000    
 H   -3.976300      -2.162200      4.8999999E-02
 H   -3.240100      -1.675600       1.601300    
 H   -4.629700      -2.740500       1.580100    
 H    3.572500      -1.193800       2.675400    
 H    1.776100      -2.606100       2.176900    
 H    2.932100       2.446100      -1.423100    
 H  -7.8800000E-02 -4.9000001E-03  -2.342100    
 H    5.630000     -0.3043000       1.695800    
 H   0.9134000      -4.024600      0.3804000    
 H    5.339000       2.883300      -1.148300    
 H   -1.013800      -2.176200      -2.966400    
 H    6.684900       1.501800      0.4094000    
 H  -0.5049000      -4.192600      -1.616900    


%chk=000032962-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000032962

0 1
O -0.696126 1.114911 -0.371177
N -4.897084 0.552501 0.272122
N 0.715751 1.442681 -0.208568
C -3.478799 0.900322 0.545367
C -2.947185 1.995242 -0.406481
C -5.847145 1.530745 0.867100
C -5.220466 -0.855823 0.630273
C -1.482233 2.354850 -0.142789
C -7.207701 1.569807 0.144331
C -4.668592 -1.874035 -0.386527
C 1.505370 0.373820 -0.192682
C 2.954221 0.734958 -0.117439
C 1.060845 -1.045858 -0.329731
C 3.859786 0.125095 0.811398
C 1.498827 -2.073683 0.568730
C 3.511512 -0.970851 1.719740
C 2.503193 -1.898261 1.622808
C 3.418107 1.790854 -0.947361
C 0.134189 -1.374904 -1.356434
C 5.192679 0.631500 0.887377
C 0.931587 -3.378006 0.436668
C 4.744906 2.258349 -0.871396
C -0.378111 -2.679359 -1.494909
C 5.638989 1.676102 0.059238
C 0.011962 -3.686969 -0.579791
H -3.329921 1.225524 1.607695
H -2.858511 -0.000909 0.405554
H -3.070046 1.647043 -1.448414
H -3.545955 2.922289 -0.304985
H -6.003720 1.334844 1.959502
H -5.386216 2.533666 0.796391
H -4.852106 -1.109675 1.657308
H -6.321174 -0.953071 0.660933
H -1.318737 2.691705 0.899853
H -1.118828 3.138817 -0.833303
H -7.061792 1.811223 -0.922937
H -7.735366 0.600655 0.203555
H -7.865271 2.335775 0.596957
H -5.072869 -1.660260 -1.391483
H -3.565588 -1.839983 -0.447596
H -4.956318 -2.902728 -0.097836
H 4.212531 -1.105057 2.555646
H 2.494353 -2.684782 2.390419
H 2.710408 2.247837 -1.645370
H -0.196851 -0.588050 -2.038567
H 5.882440 0.178688 1.609888
H 1.247857 -4.158167 1.139585
H 5.077244 3.073911 -1.522705
H -1.090047 -2.904976 -2.296295
H 6.671043 2.035319 0.135152
H -0.396538 -4.699924 -0.663615


