%chk=000028962.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028962

0 1
 O   -2.706900      -1.286300       1.135400    
 O   -4.670700     -0.1861000       1.644000    
 C   -1.270900       1.867000     -0.8848000    
 C  -0.1146000       2.719700     -0.3574000    
 C   -2.614100       2.178500     -0.2224000    
 C    1.175900       2.425500      -1.126500    
 C   -3.832200       1.425300     -0.7702000    
 C    2.370900       3.271400     -0.6685000    
 C   -3.763600     -9.0800002E-02 -0.5943000    
 C    2.820300       3.042500      0.7763000    
 C   -3.793100     -0.5101000      0.8553000    
 C    3.271500       1.664200       1.008700    
 C    1.033400      -3.157400      -1.726200    
 C   0.3143000      -1.808000      -1.804100    
 C    1.397900      -3.554300     -0.2944000    
 C    3.619700      0.5306000       1.199700    
 C  -9.9100001E-02  -1.476800      -3.229200    
 C    4.024200     -0.8613000       1.430200    
 C   -2.607500      -1.752900       2.484600    
 C    2.341500      -2.611100      0.3211000    
 C    3.103200      -1.829600      0.8226000    
 H   -1.024000      0.8107000     -0.7312000    
 H   -1.368600       2.016900      -1.967100    
 H   1.8700000E-02   2.511700      0.7097000    
 H  -0.3644000       3.782900     -0.4548000    
 H   -2.530300       1.999100      0.8566000    
 H   -2.812500       3.252300     -0.3348000    
 H    1.420200       1.360500      -1.048400    
 H    1.007700       2.625500      -2.192400    
 H   -4.731200       1.810500     -0.2735000    
 H   -3.940000       1.652000      -1.837800    
 H    3.212700       3.066200      -1.342500    
 H    2.124100       4.332900     -0.7948000    
 H   -2.875100     -0.4965000      -1.089300    
 H   -4.626200     -0.5617000      -1.080200    
 H    3.647000       3.728600      0.9965000    
 H    2.016200       3.297700       1.474300    
 H   0.3884000      -3.936800      -2.150100    
 H    1.940200      -3.122900      -2.343600    
 H   0.9621000      -1.007300      -1.433100    
 H  -0.5776000      -1.826700      -1.167200    
 H   0.4884000      -3.617800      0.3145000    
 H    1.843000      -4.556000     -0.3056000    
 H  -0.7818000      -2.234800      -3.626100    
 H   0.7736000      -1.420500      -3.887500    
 H  -0.6110000     -0.5098000      -3.259800    
 H    4.086400      -1.047300       2.508600    
 H    5.031800      -1.017600       1.028100    
 H   -1.699800      -2.356300       2.569300    
 H   -3.470200      -2.378200       2.733300    
 H   -2.532000     -0.9058000       3.173000    


%chk=000028962-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028962

0 1
O -2.025686 -1.258852 1.203376
O -3.963629 -0.369390 2.143488
C -1.368090 1.883725 -0.839272
C -0.202474 2.786976 -0.375302
C -2.674094 2.141475 -0.053791
C 1.112587 2.497176 -1.133932
C -3.870963 1.253005 -0.472599
C 2.320805 3.349545 -0.679719
C -3.626513 -0.274158 -0.305482
C 2.731628 3.139880 0.810804
C -3.273452 -0.623015 1.129806
C 2.995829 1.727303 1.147419
C 0.667773 -3.206011 -1.842065
C 0.402810 -1.793430 -2.407776
C 0.536004 -3.286349 -0.292790
C 3.177526 0.532170 1.396258
C 0.536175 -1.733717 -3.944143
C 3.375363 -0.909486 1.674352
C -1.539324 -1.588696 2.568384
C 1.536068 -2.470202 0.424985
C 2.370987 -1.771975 1.008280
H -1.057765 0.827104 -0.716545
H -1.549711 2.038934 -1.923940
H -0.048918 2.627547 0.711269
H -0.481206 3.854499 -0.503636
H -2.480056 2.001799 1.029897
H -2.968155 3.203980 -0.176163
H 1.367260 1.424832 -1.015102
H 0.948672 2.664240 -2.218500
H -4.756830 1.531110 0.129166
H -4.123906 1.441963 -1.534629
H 3.191963 3.112292 -1.320630
H 2.097540 4.426580 -0.821623
H -2.826944 -0.630527 -0.974756
H -4.556540 -0.814489 -0.566132
H 3.632462 3.748515 1.024826
H 1.932827 3.526649 1.473534
H -0.052310 -3.922649 -2.286951
H 1.680974 -3.540419 -2.140572
H 1.108175 -1.078377 -1.940860
H -0.614794 -1.468042 -2.106896
H -0.478847 -2.948564 -0.001018
H 0.629025 -4.343153 0.028119
H -0.175525 -2.424679 -4.435056
H 1.555734 -2.019865 -4.264737
H 0.336619 -0.715558 -4.325986
H 3.347010 -1.082590 2.769725
H 4.391199 -1.212069 1.347332
H -0.484180 -1.864326 2.430116
H -2.124920 -2.426512 2.983521
H -1.642280 -0.712698 3.229944


