%chk=000125273.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125273

0 1
 O   -2.780600     -0.6029000     -0.3700000    
 O   -1.973900       1.586300     -0.4471000    
 O   -6.358500      0.6928000       1.257200    
 O   -5.575400      -1.018000     -0.7895000    
 O   -4.009400       2.376500       1.369600    
 O   -2.035900      -3.238500     -0.5662000    
 O    2.401100      0.4449000       1.005800    
 O    6.801500     -0.7080000       2.261600    
 N    3.269700      0.2004000      -1.719800    
 C   -5.023800      0.1946000       1.228200    
 C   -4.979600      -1.150600      0.5026000    
 C   -4.119800       1.218400      0.5423000    
 C   -3.524600      -1.602800      0.3374000    
 C   -2.718800      0.6431000      0.3228000    
 C   -3.406800      -2.901200     -0.4522000    
 C  -0.6842000       1.246200     -0.7501000    
 C   0.2268000       1.012300      0.2735000    
 C  -0.2934000       1.136200      -2.080100    
 C    1.541000      0.6647000     -4.3299999E-02
 C    1.953200      0.5489000      -1.376100    
 C    1.022500      0.7884000      -2.392300    
 C    3.705600      9.9399999E-02  0.6903000    
 C    4.095700     -1.1600000E-02 -0.7417000    
 C    4.594800     -0.1288000       1.661500    
 C    5.499700     -0.3831000      -1.032500    
 C    5.993300     -0.4987000       1.363800    
 C    6.379900     -0.6091000     -5.5799998E-02
 H   -4.710500      6.0500000E-02   2.271200    
 H   -5.568600      -1.894800       1.049100    
 H   -4.563800       1.549300     -0.4043000    
 H   -3.050700      -1.742600       1.317900    
 H   -2.230000      0.5026000       1.295800    
 H   -3.803000      -2.801800      -1.467700    
 H   -3.928000      -3.720700      5.1199999E-02
 H   -6.338400       1.554000       1.708500    
 H   -4.986400     -0.4790000      -1.343800    
 H   -3.409600       2.997500      0.9220000    
 H   -1.585600      -2.496200      -1.004600    
 H  -6.3600004E-02   1.113100       1.315500    
 H   -1.005700       1.318100      -2.880100    
 H    1.316700      0.7049000      -3.435700    
 H    4.316100     -4.9300000E-02   2.707100    
 H    5.795300     -0.4672000      -2.072800    
 H    7.405200     -0.8806000     -0.2803000    


%chk=000125273-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125273

0 1
O -2.792882 -0.807112 -0.216362
O -2.082740 1.299775 -1.002932
O -6.499708 0.806530 0.958661
O -5.554247 -1.518064 -0.584494
O -4.286223 2.566320 0.525359
O -1.815293 -3.310560 0.660305
O 2.214730 -0.455158 0.501867
O 6.548081 -2.050349 1.853149
N 3.528593 1.159203 -1.498357
C -5.115590 0.374432 1.025956
C -5.028919 -1.142814 0.728902
C -4.233995 1.181222 0.049401
C -3.542481 -1.558563 0.849215
C -2.796607 0.635166 0.065448
C -3.251432 -3.038032 0.582152
C -0.680197 1.193509 -1.057010
C 0.077840 0.363305 -0.201345
C -0.061172 1.994843 -2.055957
C 1.472975 0.369783 -0.354964
C 2.136279 1.164104 -1.343696
C 1.331325 1.974747 -2.192900
C 3.626310 -0.476427 0.366948
C 4.237032 0.370441 -0.674249
C 4.359355 -1.277608 1.204658
C 5.685921 0.328377 -0.790835
C 5.825462 -1.318710 1.088919
C 6.441135 -0.466121 0.037466
H -4.706983 0.542669 2.050875
H -5.660354 -1.687394 1.451256
H -4.635007 1.101170 -0.981808
H -3.124880 -1.274442 1.838744
H -2.305596 0.831809 1.045628
H -3.679272 -3.336333 -0.394938
H -3.712411 -3.653477 1.372333
H -6.506547 1.793644 1.065973
H -4.892780 -1.232316 -1.269533
H -3.877047 3.160599 -0.152566
H -1.369022 -2.794290 -0.059225
H -0.376407 -0.293335 0.543743
H -0.691280 2.613693 -2.699815
H 1.839993 2.578517 -2.949611
H 3.880864 -1.897267 1.967961
H 6.129752 0.959598 -1.566946
H 7.532927 -0.507485 -0.038478


