%chk=000014642.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014642

0 1
 O  -0.8642000     -0.4332000      6.1099999E-02
 O   -1.971100      -2.443400      0.2444000    
 O   -6.651000       1.837300     -0.1842000    
 C    3.993500      0.3374000      3.9000001E-02
 C    5.402300     -0.2623000      6.4800002E-02
 C    2.883200     -0.7146000      9.0000004E-02
 C    6.511800      0.7840000     -6.0500000E-02
 C    1.501700     -6.3800000E-02  3.8100000E-02
 C    7.891500      0.1251000     -0.1021000    
 C   0.3892000      -1.098800      0.1298000    
 C    8.996600       1.156500     -0.2648000    
 C   -1.968500      -1.227600      0.1301000    
 C   -3.208300     -0.4149000      4.6200000E-02
 C   -4.336800     -0.9770000     -0.5148000    
 C   -3.194400      0.8767000      0.5321000    
 C   -5.502100     -0.2143000     -0.5934000    
 C   -4.359800       1.639200      0.4535000    
 C   -5.513600       1.093700     -0.1092000    
 H    3.882500       1.026100      0.8856000    
 H    3.877700      0.9362000     -0.8731000    
 H    5.494700     -0.9835000     -0.7570000    
 H    5.536700     -0.8259000      0.9964000    
 H    2.981600      -1.302900       1.010100    
 H    2.995200      -1.408500     -0.7518000    
 H    6.457000       1.480600      0.7846000    
 H    6.358300       1.371000     -0.9742000    
 H    1.390600      0.6592000      0.8560000    
 H    1.388000      0.5124000     -0.8887000    
 H    8.060200     -0.4429000      0.8202000    
 H    7.940600     -0.5860000     -0.9350000    
 H   0.4700000      -1.810400     -0.7004000    
 H   0.4616000      -1.644300       1.078000    
 H    8.995600       1.866800      0.5680000    
 H    8.874900       1.718500      -1.196300    
 H    9.973800      0.6642000     -0.2904000    
 H   -4.339400      -1.993100     -0.8980000    
 H   -2.313400       1.319800      0.9868000    
 H   -6.397700     -0.6445000      -1.033300    
 H   -4.356900       2.655900      0.8372000    
 H   -6.479100       2.715600      0.1969000    


%chk=000014642-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000014642

0 1
O -0.880728 -0.364397 -0.021046
O -1.969611 -2.427111 -0.041965
O -6.952975 1.712841 0.075307
C 4.075511 0.344177 0.018834
C 5.481058 -0.290870 -0.075612
C 2.932424 -0.691604 -0.070391
C 6.626569 0.741362 0.025675
C 1.529529 -0.043691 -0.001415
C 8.032555 0.107355 -0.078499
C 0.419993 -1.093218 -0.058907
C 9.171329 1.145001 0.024172
C -2.027328 -1.170331 -0.020370
C -3.278126 -0.368536 0.007355
C -4.521470 -1.058223 0.020223
C -3.269717 1.050276 0.018378
C -5.733910 -0.351124 0.043455
C -4.479736 1.769089 0.041007
C -5.711040 1.065107 0.053381
H 3.988792 0.903671 0.973586
H 3.956627 1.092745 -0.792175
H 5.570053 -0.842903 -1.034782
H 5.597178 -1.046782 0.729251
H 3.043169 -1.428901 0.751972
H 3.030702 -1.263237 -1.016720
H 6.543550 1.289387 0.987757
H 6.509014 1.501376 -0.775220
H 1.429919 0.540221 0.934050
H 1.402866 0.666952 -0.841005
H 8.149357 -0.652556 0.721101
H 8.114960 -0.439266 -1.040210
H 0.458020 -1.692229 -0.988234
H 0.457625 -1.791049 0.798303
H 9.129951 1.684829 0.989185
H 9.095441 1.897560 -0.783493
H 10.164915 0.666209 -0.052705
H -4.511156 -2.152908 0.011231
H -2.311944 1.577146 0.008185
H -6.699009 -0.865174 0.053677
H -4.468301 2.866674 0.048615
H -6.843556 2.696435 0.079749


