%chk=000160794.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160794

0 1
 O   -3.164900      4.8200000E-02  -1.776000    
 O   -4.285400      -1.893600     -6.5499999E-02
 O   -6.834500     -0.7385000     -6.5200001E-02
 O    6.459100     -0.3402000      -1.216500    
 C   -1.866300     -0.1631000      0.3030000    
 C  -0.9869000       1.019200     -0.1673000    
 C   0.4360000      0.9771000      0.4039000    
 C    1.122700     -0.3514000     -4.2199999E-02
 C   -3.220700      0.2367000     -0.3553000    
 C   -1.208100      -1.454900     -0.2110000    
 C   -1.851600       2.245200      0.1154000    
 C    2.611400     -0.4718000      0.4654000    
 C   0.2454000      -1.591900      0.2784000    
 C   -3.300100       1.764200     -0.1106000    
 C    1.264000       2.179900     -6.7400001E-02
 C   -2.018300     -0.2446000       1.846300    
 C    3.371400      0.8187000      0.1323000    
 C   -4.460800     -0.4953000      0.1490000    
 C    2.684600       2.118600      0.4790000    
 C    3.276700      -1.681900     -0.2531000    
 C    2.685000     -0.6950000       1.993000    
 C    4.794000      -1.691600     -0.1527000    
 C    4.596200      0.8483000     -0.4190000    
 C   -5.709500     -4.6700001E-02 -0.5966000    
 C    5.360800     -0.3954000     -0.6673000    
 H  -0.8663000      0.9685000      -1.260100    
 H   0.3869000       1.020600       1.497200    
 H    1.173900     -0.3062000      -1.142600    
 H   -1.203500      -1.475600      -1.307800    
 H   -1.771800      -2.336600      0.1132000    
 H   -1.604600       3.078000     -0.5511000    
 H   -1.724200       2.597700       1.145200    
 H   0.2448000      -1.791900       1.354200    
 H   0.6704000      -2.482400     -0.1980000    
 H   -3.889700       2.004000      0.7822000    
 H   -3.746600       2.297600     -0.9577000    
 H   0.7991000       3.114200      0.2681000    
 H    1.291100       2.214200      -1.164400    
 H   -2.532800      0.6261000       2.264600    
 H   -2.593800      -1.132200       2.132600    
 H   -1.059700     -0.3192000       2.365800    
 H   -4.616300     -0.3551000       1.223600    
 H    2.663000       2.229200       1.570200    
 H    3.244900       2.980000      9.4999999E-02
 H    3.008200      -1.667100      -1.318800    
 H    2.896700      -2.628700      0.1491000    
 H    2.114100      5.4200001E-02   2.550200    
 H    2.298100      -1.679600       2.276000    
 H    3.717500     -0.6419000       2.358000    
 H   -2.659800      0.7685000      -2.186000    
 H    5.188800      -2.510800     -0.7639000    
 H    5.133900      -1.841000      0.8769000    
 H    5.097000       1.781800     -0.6530000    
 H   -5.890900       1.025700     -0.4820000    
 H   -5.660400     -0.2933000      -1.662100    
 H   -4.142200      -2.034100      -1.017200    
 H   -7.615900     -0.4329000     -0.5568000    


%chk=000160794-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160794

0 1
O -3.234869 0.020992 -1.862944
O -4.425468 -1.878575 -0.350175
O -6.955500 -0.742893 -0.105202
O 6.534359 -0.460424 -1.274522
C -1.896376 -0.115324 0.285164
C -0.989333 1.088461 -0.135620
C 0.442473 1.024626 0.437533
C 1.107682 -0.314882 -0.018144
C -3.260120 0.308647 -0.394334
C -1.236316 -1.423572 -0.213471
C -1.863782 2.335708 0.145696
C 2.603862 -0.480725 0.478876
C 0.218581 -1.548348 0.312232
C -3.326185 1.852849 -0.140953
C 1.289229 2.229439 -0.029436
C -2.103727 -0.184838 1.823733
C 3.389629 0.793942 0.117902
C -4.524430 -0.454062 0.051451
C 2.748780 2.123003 0.472583
C 3.230807 -1.714496 -0.245127
C 2.682926 -0.678243 2.026983
C 4.771189 -1.766281 -0.180691
C 4.632399 0.760931 -0.463113
C -5.840753 0.107061 -0.530471
C 5.398437 -0.477492 -0.707747
H -0.853849 1.021521 -1.245015
H 0.386470 1.052810 1.546287
H 1.170810 -0.251980 -1.130695
H -1.225523 -1.436720 -1.322278
H -1.828344 -2.299384 0.109325
H -1.583020 3.199078 -0.482113
H -1.753137 2.652789 1.199987
H 0.195309 -1.712925 1.406023
H 0.666359 -2.457926 -0.128431
H -3.988895 2.078554 0.714328
H -3.767555 2.344010 -1.025720
H 0.844127 3.175275 0.333440
H 1.283476 2.271747 -1.138550
H -2.645091 0.692765 2.219534
H -2.681642 -1.088758 2.085406
H -1.143254 -0.244953 2.361444
H -4.607731 -0.474292 1.149951
H 2.743394 2.232806 1.578346
H 3.359882 2.954622 0.077145
H 2.924865 -1.687572 -1.310973
H 2.817831 -2.645830 0.184205
H 2.194276 0.144854 2.577622
H 2.198047 -1.623425 2.328490
H 3.734795 -0.719039 2.361400
H -2.384044 0.347857 -2.248208
H 5.172258 -2.617990 -0.757875
H 5.113157 -1.904887 0.865577
H 5.143157 1.694636 -0.733380
H -6.062238 1.111900 -0.133505
H -5.770114 0.158551 -1.636200
H -4.053733 -1.861688 -1.274790
H -6.643440 -1.680011 -0.230384


