%chk=000047610.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047610

0 1
 O   0.4556000     -0.9249000     -7.9899997E-02
 O  -0.6743000       2.597200     -0.1629000    
 O    4.431700       1.840500     -9.8899998E-02
 O    4.751900      -2.902600      9.8499998E-02
 O   -4.974500     -0.6110000      -1.805000    
 O   -5.713800      -1.024900      0.8424000    
 C   0.1330000       1.499000      0.2482000    
 C  -0.3380000      0.2146000     -0.4484000    
 C    1.581500       1.782100     -0.1415000    
 C    2.410500      0.5356000     -7.7200003E-02
 C    1.810500     -0.7281000     -6.2799998E-02
 C   -1.778800     -0.1169000     -0.1062000    
 C    3.808700      0.6276000     -5.9300002E-02
 C    2.597500      -1.880800      7.8999996E-03
 C   -2.728500     -0.2133000      -1.120900    
 C   -2.146400     -0.3238000       1.221400    
 C    4.593200     -0.5246000     -6.9999998E-04
 C    3.987500      -1.778300      3.6699999E-02
 C  -0.2600000       3.806100      0.4565000    
 C   -4.052800     -0.5186000     -0.8062000    
 C   -3.470700     -0.6287000       1.536000    
 C   -4.423900     -0.7261000      0.5223000    
 H   7.3600002E-02   1.381400       1.338900    
 H  -0.2588000      0.3397000      -1.537900    
 H    2.006200       2.530100      0.5388000    
 H    1.635000       2.194400      -1.157400    
 H    2.127100      -2.861000      3.4499999E-02
 H   -2.440800     -5.1399998E-02  -2.156700    
 H   -1.416900     -0.2640000       2.024000    
 H    5.677600     -0.4458000      1.6700000E-02
 H   0.6277000       4.217300     -3.2400001E-02
 H  -9.0099998E-02   3.675800       1.530200    
 H   -1.065000       4.536400      0.3298000    
 H   -3.752900     -0.7919000       2.572700    
 H    5.394700       1.706400     -7.8699999E-02
 H    5.690200      -2.646500      0.1103000    
 H   -4.538200     -0.4367000      -2.656600    
 H   -6.234400      -1.051800      2.0800000E-02


%chk=000047610-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047610

0 1
O 0.573620 -0.979683 0.022897
O -0.698585 2.480975 -0.528479
O 4.482264 1.897323 -0.264951
O 4.888897 -2.954933 0.547078
O -5.242633 0.321637 -1.357094
O -5.731973 -1.066091 0.908112
C 0.197925 1.476178 0.054409
C -0.281590 0.111606 -0.513036
C 1.664735 1.745646 -0.342495
C 2.531164 0.517269 -0.137465
C 1.962137 -0.770274 0.038031
C -1.711850 -0.233674 -0.144695
C 3.941375 0.606362 -0.086396
C 2.747301 -1.920511 0.268835
C -2.771100 0.206898 -0.976497
C -2.011667 -0.954512 1.036166
C 4.765050 -0.520148 0.137799
C 4.145514 -1.782170 0.318818
C -0.657802 3.771053 0.161477
C -4.099396 -0.068768 -0.615358
C -3.350428 -1.236079 1.390620
C -4.402065 -0.792943 0.567921
H 0.083498 1.453010 1.161186
H -0.157878 0.142301 -1.615673
H 2.083419 2.590261 0.233323
H 1.675577 2.058322 -1.406233
H 2.277517 -2.897124 0.399011
H -2.549158 0.786753 -1.880855
H -1.192537 -1.320336 1.661042
H 5.858519 -0.419610 0.168832
H 0.323820 4.274371 0.047056
H -0.882772 3.653573 1.242028
H -1.438093 4.389989 -0.308930
H -3.594627 -1.801022 2.294981
H 5.467864 1.878565 -0.186928
H 5.858568 -2.761360 0.560162
H -4.997048 0.830169 -2.166084
H -6.322665 -0.680523 0.208387


