%chk=000079404.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079404

0 1
 O    1.141500      -1.807700     -0.2809000    
 O   -1.563400       1.642900      0.1942000    
 O   -1.574200      -2.419600      4.0000002E-03
 O   -3.176500     -0.6420000      0.1088000    
 O    3.134000     -7.3100001E-02  0.6409000    
 O   0.9921000       2.580700     -0.4529000    
 C   0.4162000      -2.446800      -1.324400    
 C   -2.646600       1.470800       1.100000    
 C   -1.037200      -2.020300      -1.250000    
 C   -2.858200     -1.1200000E-02   1.342300    
 C    2.510000      -2.189100     -0.2888000    
 C   -1.333300       3.016400     -8.7200001E-02
 C   -2.945500      -2.050200      0.1468000    
 C    3.228400      -1.478200      0.8417000    
 C  -0.1714000       3.135500      -1.054500    
 C    3.773300      0.6463000       1.686000    
 C    2.110900       2.645500      -1.326000    
 H   0.4895000      -3.532800      -1.194900    
 H   0.8380000      -2.167300      -2.296000    
 H   -3.551100       1.905400      0.6589000    
 H   -2.425000       1.976100       2.046400    
 H   -1.100300     -0.9302000      -1.340700    
 H   -1.604800      -2.485500      -2.063300    
 H   -3.676300     -0.1745000       2.051300    
 H   -1.936000     -0.4402000       1.752400    
 H    2.596500      -3.273700     -0.1607000    
 H    2.953600      -1.900100      -1.248700    
 H   -2.231300       3.463000     -0.5280000    
 H   -1.091200       3.534900      0.8477000    
 H   -3.323200      -2.470200       1.086200    
 H   -3.522700      -2.507800     -0.6644000    
 H    4.281300      -1.780000      0.8647000    
 H    2.756200      -1.732700       1.797700    
 H   3.3000000E-03   4.188500      -1.300800    
 H  -0.3952000       2.579300      -1.972300    
 H    3.663400       1.716100       1.490900    
 H    4.840300      0.4055000       1.719200    
 H    3.306000      0.4201000       2.649400    
 H    2.988000       2.257000     -0.8050000    
 H    2.313400       3.681300      -1.615900    
 H    1.934600       2.033900      -2.216200    


%chk=000079404-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000079404

0 1
O 1.155942 -1.524069 -0.329422
O -1.773463 1.478674 0.108942
O -1.743596 -2.303331 0.142666
O -3.679912 -0.824740 0.185827
O 3.898498 -0.205406 0.051788
O 0.766929 3.200214 0.073863
C 0.249877 -2.216157 -1.251996
C -3.044734 1.429277 0.832455
C -1.158905 -1.675131 -1.065282
C -3.235631 0.001920 1.328213
C 2.479862 -2.148745 -0.299054
C -1.528019 2.764885 -0.551206
C -3.184642 -2.191985 0.206033
C 3.350532 -1.402492 0.700208
C -0.084042 2.766612 -1.035791
C 4.749544 0.558523 0.961290
C 2.178256 2.896422 -0.165645
H 0.255876 -3.311945 -1.058179
H 0.580560 -2.042379 -2.301770
H -3.892469 1.710428 0.169304
H -3.019720 2.132675 1.695158
H -1.151146 -0.576906 -0.940087
H -1.779986 -1.937303 -1.950043
H -4.012525 -0.030423 2.119628
H -2.276482 -0.379232 1.727087
H 2.383040 -3.213057 0.015350
H 2.961902 -2.120923 -1.301498
H -2.230833 2.887931 -1.405519
H -1.674357 3.610297 0.155286
H -3.455213 -2.719442 1.141790
H -3.673422 -2.652792 -0.676552
H 4.186426 -2.059018 1.033802
H 2.738213 -1.125925 1.585224
H 0.034768 3.461298 -1.898482
H 0.189187 1.740859 -1.365326
H 5.111729 1.428910 0.391437
H 5.620023 -0.042046 1.304606
H 4.185213 0.910002 1.851291
H 2.721010 3.258072 0.723249
H 2.563437 3.426080 -1.065281
H 2.345374 1.806367 -0.285461


