%chk=000013493.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013493

0 1
 O    6.213400     -0.8098000     -0.5170000    
 O   -3.211700       5.747500     -0.1990000    
 O   -1.051100       5.871500     -0.5673000    
 N   -1.411300     -0.2438000      0.6149000    
 N   -3.745500      -3.109100      0.1064000    
 N   0.3955000      0.9462000      0.1060000    
 N   -2.079900       5.213300     -0.2815000    
 C   -2.301300      -1.326800      0.9572000    
 C   -2.874100      -2.007400     -0.2827000    
 C  -0.1132000     -0.2847000      0.4141000    
 C   -1.760100       1.074100      0.4288000    
 C  -0.6435000       1.841200      0.1086000    
 C   0.6804000      -1.526900      0.5130000    
 C   -4.692000      -3.422000     -0.9661000    
 C   -2.957200      -4.294400      0.4488000    
 C   -3.016600       1.697000      0.5163000    
 C    2.165600      -1.334100      0.2370000    
 C  -0.7006000       3.214000     -0.1344000    
 C   -1.959100       3.817500     -4.3099999E-02
 C   -3.097900       3.074500      0.2763000    
 C   -3.968500      -3.888400      -2.218000    
 C   -3.849500      -5.430000      0.9201000    
 C    3.036500      -1.030700       1.283500    
 C    2.655000      -1.461200      -1.063100    
 C    4.396700     -0.8543000       1.030100    
 C    4.015100      -1.284800      -1.316500    
 C    4.886100     -0.9813000     -0.2700000    
 C    6.922000      8.7700002E-02  0.3362000    
 C    8.066600      0.7049000     -0.4390000    
 H   -1.741100      -2.018700       1.593200    
 H   -3.103700     -0.9221000       1.585500    
 H   -3.440700      -1.247200     -0.8380000    
 H   -2.060700      -2.330200     -0.9450000    
 H   0.5745000      -1.962500       1.515100    
 H   0.2935000      -2.280500     -0.1847000    
 H   -5.279000      -2.525100      -1.203800    
 H   -5.439900      -4.158400     -0.6538000    
 H   -2.301100      -4.059000       1.294600    
 H   -2.290300      -4.634900     -0.3514000    
 H   -3.912600       1.134500      0.7596000    
 H   0.2042000       3.758600     -0.3800000    
 H   -4.080500       3.535700      0.3483000    
 H   -3.243500      -3.165100      -2.601300    
 H   -3.477000      -4.857900      -2.099000    
 H   -4.708500      -4.024900      -3.016100    
 H   -3.235700      -6.207800       1.388200    
 H   -4.389600      -5.910000      9.8600000E-02
 H   -4.572800      -5.092400       1.670600    
 H    2.667200     -0.9334000       2.301000    
 H    1.985900      -1.695600      -1.886700    
 H    5.044100     -0.6463000       1.876700    
 H    4.390600      -1.384400      -2.331300    
 H    7.313300     -0.4666000       1.196400    
 H    6.282900      0.9078000      0.6871000    
 H    8.739600     -7.1999997E-02 -0.8164000    
 H    7.691800       1.251700      -1.310600    
 H    8.639500       1.392600      0.1895000    


%chk=000013493-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013493

0 1
O 6.267929 -1.062079 -0.487716
O -3.762845 5.768176 -0.166826
O -1.505206 6.085665 -0.126054
N -1.554685 -0.118147 0.847417
N -3.493401 -3.200821 -0.251204
N 0.282015 1.247695 0.692607
N -2.550814 5.328905 -0.049628
C -2.372713 -1.338550 0.955556
C -2.719777 -1.956282 -0.428534
C -0.138327 -0.015240 0.869732
C -2.052112 1.167628 0.619116
C -0.891333 2.013670 0.528804
C 0.728583 -1.225994 1.127346
C -4.675438 -3.334182 -1.141009
C -2.639477 -4.409623 -0.125443
C -3.365947 1.671528 0.494542
C 2.186389 -1.112141 0.693794
C -1.034345 3.394713 0.307754
C -2.353087 3.882414 0.184621
C -3.507789 3.051653 0.274743
C -4.376408 -3.573639 -2.645668
C -3.375633 -5.618994 0.479168
C 3.025589 -0.065841 1.144958
C 2.749593 -2.108489 -0.145336
C 4.387657 -0.009984 0.778908
C 4.105282 -2.068015 -0.522870
C 4.932171 -1.015584 -0.059694
C 7.169043 0.022644 -0.049512
C 8.536308 -0.264060 -0.664123
H -1.836688 -2.077844 1.573857
H -3.310427 -1.099585 1.486051
H -3.319804 -1.224734 -1.000858
H -1.777263 -2.110336 -1.005778
H 0.680894 -1.449434 2.216044
H 0.277003 -2.102251 0.623888
H -5.276597 -2.411472 -1.030365
H -5.305673 -4.156572 -0.756088
H -1.793336 -4.147881 0.539924
H -2.184061 -4.701608 -1.104568
H -4.247753 1.027373 0.566712
H -0.177372 4.067050 0.231668
H -4.491962 3.514388 0.169143
H -3.764517 -2.756342 -3.070334
H -3.838454 -4.524796 -2.809750
H -5.321130 -3.620433 -3.218252
H -2.665925 -6.449122 0.648739
H -4.171894 -5.996374 -0.187023
H -3.834927 -5.345115 1.445251
H 2.605874 0.730749 1.765867
H 2.121252 -2.929964 -0.512384
H 5.003318 0.817530 1.143142
H 4.541154 -2.833478 -1.172014
H 7.220490 0.035166 1.058947
H 6.767974 0.997648 -0.395324
H 8.920252 -1.240186 -0.321744
H 8.471218 -0.283693 -1.765302
H 9.257334 0.519885 -0.369001


