%chk=000100630.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100630

0 1
 O   -2.300100      -2.554700      8.2400002E-02
 O   -4.900800      -1.505500      9.1000004E-03
 O    6.244800     -0.2257000     -0.9268000    
 C   0.7490000     -0.2768000     -8.5000001E-02
 C   -1.335700       1.080500     -7.6899998E-02
 C   -2.218800     -0.1305000      0.3418000    
 C   6.8599999E-02  0.9925000      0.5274000    
 C    2.254700     -0.3902000      0.3486000    
 C   -1.585600      -1.381700     -0.2991000    
 C  -0.1083000      -1.547300      0.1356000    
 C   -2.219200       2.306900      0.1590000    
 C   -3.532400      0.3908000     -0.1873000    
 C   0.9155000       2.211800      0.2850000    
 C    2.979600      0.9041000     -5.2900001E-02
 C    2.917600      -1.586800     -0.3845000    
 C   -2.389300     -0.3111000       1.871600    
 C   -3.550500       1.732000     -0.2431000    
 C    2.394900     -0.5882000       1.876400    
 C    2.226800       2.149600      1.5300000E-02
 C    4.433000      -1.624100     -0.2329000    
 C    4.252300      0.9332000     -0.4833000    
 C   -4.695600     -0.4084000     -0.5302000    
 C    5.064000     -0.3024000     -0.5903000    
 C   -5.664600      0.1320000      -1.560000    
 H   0.7613000     -0.1326000      -1.179300    
 H   -1.196800       1.043100      -1.174300    
 H  -2.1600001E-02  0.8938000       1.614200    
 H   -1.624800      -1.316300      -1.394000    
 H   0.3071000      -2.389200     -0.4312000    
 H  -6.6200003E-02  -1.863800       1.183600    
 H   -1.933500       3.136300     -0.4947000    
 H   -2.227700       2.646900       1.198600    
 H   0.4486000       3.189800      0.3582000    
 H    2.678600      -1.535700      -1.456100    
 H    2.513800      -2.538400     -1.9099999E-02
 H   -2.730300      0.6072000       2.363400    
 H   -3.130000      -1.086800       2.098700    
 H   -1.460300     -0.6056000       2.367300    
 H   -4.389700       2.349300     -0.5293000    
 H    1.910100      0.2092000       2.448200    
 H    1.958300      -1.539500       2.197300    
 H    3.444700     -0.5927000       2.191000    
 H    2.763800       3.078800     -0.1586000    
 H    4.837500      -2.390600     -0.9035000    
 H    4.726500      -1.882200      0.7896000    
 H   -3.168900      -2.526300     -0.3506000    
 H    4.744700       1.858000     -0.7686000    
 H   -5.131800      0.6519000      -2.361000    
 H   -6.379900      0.8033000      -1.078500    
 H   -6.205200     -0.7041000      -2.014000    


%chk=000100630-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100630

0 1
O -2.168622 -2.656822 -0.064146
O -4.672941 -1.743409 -0.618668
O 6.406549 -0.277653 -0.829204
C 0.800711 -0.259176 -0.130622
C -1.295199 1.091540 -0.172486
C -2.203937 -0.136817 0.198389
C 0.098784 0.998189 0.476885
C 2.286367 -0.394666 0.370035
C -1.529951 -1.399155 -0.428898
C -0.060512 -1.535517 0.049081
C -2.216781 2.324315 0.026077
C -3.554086 0.371115 -0.370085
C 0.952199 2.230844 0.281522
C 3.030535 0.895246 -0.027223
C 2.972392 -1.613469 -0.316220
C -2.411072 -0.336170 1.729511
C -3.556527 1.745320 -0.395521
C 2.357702 -0.539325 1.921949
C 2.296038 2.161522 0.035392
C 4.503955 -1.648297 -0.121681
C 4.360295 0.890836 -0.396813
C -4.726254 -0.470518 -0.704503
C 5.182507 -0.326096 -0.485413
C -6.021813 0.188924 -1.161506
H 0.870949 -0.061137 -1.224819
H -1.134270 1.025637 -1.272608
H -0.041080 0.849835 1.570559
H -1.543228 -1.263640 -1.537926
H 0.375337 -2.375835 -0.518847
H -0.085024 -1.855694 1.106923
H -1.923323 3.201743 -0.578610
H -2.255806 2.661830 1.084471
H 0.463369 3.212605 0.348003
H 2.748683 -1.576062 -1.401997
H 2.535520 -2.552557 0.070583
H -2.759494 0.593981 2.214357
H -3.166260 -1.121687 1.902425
H -1.488791 -0.666898 2.235537
H -4.415836 2.369246 -0.664407
H 1.936737 0.342812 2.435305
H 1.806098 -1.435624 2.258845
H 3.404243 -0.638040 2.258421
H 2.871815 3.082508 -0.126914
H 4.967157 -2.450569 -0.723466
H 4.758217 -1.872033 0.934417
H -3.149712 -2.559023 -0.264599
H 4.869335 1.830168 -0.651630
H -5.853666 0.829712 -2.045738
H -6.441742 0.826614 -0.361983
H -6.751363 -0.594851 -1.414950


