%chk=000036393.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036393

0 1
 O   -1.261800     -0.2145000      0.4008000    
 O   6.9700003E-02  -1.778200     -0.6391000    
 N   -4.869500     -0.7096000     -0.1692000    
 C    1.089900      4.0899999E-02  0.6359000    
 C   -3.650400     -9.5500000E-02  0.3556000    
 C   -2.420700     -0.8544000     -0.1173000    
 C    2.441400     -0.5937000      0.3339000    
 C   -4.971700      -2.100400      0.2711000    
 C   -6.046500      4.8300002E-02  0.2540000    
 C    1.054800       1.517500      0.2648000    
 C  -5.9000000E-02 -0.7826000      6.2199999E-02
 C    3.185000      -1.103300       1.377400    
 C    2.878000     -0.6385000     -0.9734000    
 C   -6.201600      -2.772800     -0.3150000    
 C   -5.957300       1.496900     -0.1952000    
 C    1.586500       2.438200       1.143800    
 C   0.4922000       1.888600     -0.9387000    
 C    4.887700      -1.742800     -0.2127000    
 C    4.422600      -1.684600       1.100900    
 C    4.115500      -1.219900      -1.250000    
 C    1.554000       3.790700      0.8041000    
 C   0.4598000       3.241200      -1.278500    
 C   0.9907000       4.192200     -0.4071000    
 C    6.210900      -2.363800     -0.5084000    
 H   0.9246000     -1.9800000E-02   1.723200    
 H   -3.523100      0.9323000     -1.5000000E-03
 H   -3.657100     -4.3099999E-02   1.452700    
 H   -2.372700     -0.8661000      -1.213000    
 H   -2.394500      -1.879400      0.2611000    
 H   -4.137200      -2.699100     -0.1030000    
 H   -4.982900      -2.188300       1.364600    
 H   -6.951400     -0.3516000     -0.2151000    
 H   -6.191300      8.6000003E-03   1.341100    
 H    2.833600      -1.064000       2.403900    
 H    2.288800     -0.2454000      -1.795500    
 H   -7.127100      -2.449200      0.1711000    
 H   -6.285500      -2.598500      -1.393300    
 H   -6.134800      -3.856500     -0.1647000    
 H   -5.261400       2.082800      0.4131000    
 H   -5.670900       1.580600      -1.249200    
 H   -6.938400       1.973600     -8.7099999E-02
 H    2.027300       2.134300       2.088500    
 H   8.5800000E-02   1.169800      -1.642900    
 H    5.014300      -2.090100       1.917400    
 H    4.465500      -1.262700      -2.278000    
 H    1.967700       4.531200       1.482500    
 H   2.4400000E-02   3.553700      -2.223200    
 H   0.9663000       5.245100     -0.6721000    
 H    6.679600      -1.898200      -1.382100    
 H    6.903100      -2.237700      0.3311000    
 H    6.088500      -3.433600     -0.7043000    


%chk=000036393-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036393

0 1
O -1.335460 0.203537 0.358377
O -0.399465 0.098274 -1.768587
N -4.809774 -1.193767 0.534144
C 0.950089 0.922186 0.160067
C -3.547534 -0.566879 0.997526
C -2.613395 -0.343344 -0.197341
C 2.066833 -0.139006 0.111011
C -4.725761 -2.678880 0.472966
C -6.017764 -0.694909 1.242804
C 1.393180 2.289483 -0.387863
C -0.294441 0.378554 -0.552069
C 2.382287 -0.878325 1.275364
C 2.782002 -0.413499 -1.081502
C -5.685670 -3.295736 -0.562036
C -6.422464 0.725454 0.804875
C 1.974075 3.215238 0.516775
C 1.279334 2.650020 -1.754665
C 4.115227 -2.143713 0.065669
C 3.394172 -1.865555 1.252754
C 3.787910 -1.400435 -1.099913
C 2.435772 4.472410 0.069963
C 1.737644 3.910623 -2.201023
C 2.318788 4.825752 -1.294495
C 5.207850 -3.198827 0.033346
H 0.664169 1.054807 1.217590
H -3.767845 0.409902 1.462544
H -3.023674 -1.179065 1.768691
H -3.037659 0.383455 -0.910779
H -2.391787 -1.278283 -0.742355
H -3.689452 -2.945736 0.192291
H -4.906034 -3.136614 1.478764
H -6.850035 -1.383726 1.010802
H -5.882366 -0.725893 2.353904
H 1.833781 -0.684520 2.205701
H 2.549659 0.144576 -1.994115
H -6.743364 -3.082101 -0.323942
H -5.474508 -2.888043 -1.565762
H -5.565833 -4.394878 -0.591901
H -5.629192 1.464814 1.019076
H -6.620475 0.744898 -0.280822
H -7.334536 1.050166 1.339718
H 2.069888 2.946533 1.576208
H 0.820335 1.951261 -2.461965
H 3.625329 -2.424937 2.167460
H 4.330752 -1.599237 -2.032578
H 2.881583 5.174498 0.783732
H 1.638751 4.177064 -3.259570
H 2.673211 5.801941 -1.644185
H 6.192417 -2.750304 -0.199069
H 5.296755 -3.719396 1.002451
H 5.008098 -3.961242 -0.742838


