%chk=000110636.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110636

0 1
 O    2.153000     -8.6000003E-02  0.2588000    
 O    2.252700       1.739900      -1.152900    
 C   -1.591400      3.4800000E-02 -0.1811000    
 C   0.5961000      -1.936100      0.2487000    
 C  -0.1840000      0.4782000      0.2301000    
 C   0.8867000     -0.5082000     -0.2417000    
 C   -1.878100      -1.385900      0.3191000    
 C  -0.8168000      -2.375400     -0.1569000    
 C   -2.640600       1.013500      0.3428000    
 C    1.633400      -2.930200     -0.2804000    
 C   -2.332600       2.432900     -0.1282000    
 C   -4.038600      0.5908000     -0.1030000    
 C    2.547600       1.168000     -0.1122000    
 C    3.412600       1.763700      0.9568000    
 H   -1.632900      2.2000000E-02  -1.279900    
 H   0.6693000      -1.950300       1.345100    
 H   2.8600000E-02   1.464100     -0.1894000    
 H  -0.1217000      0.5943000       1.320800    
 H   0.9273000     -0.5132000      -1.339700    
 H   -2.843600      -1.748800     -4.7499999E-02
 H   -1.921600      -1.399600       1.415500    
 H   -1.034000      -3.365400      0.2621000    
 H  -0.8780000      -2.473300      -1.248500    
 H   -2.629800       1.019300       1.440900    
 H    2.641000      -2.667600      5.7599999E-02
 H    1.417500      -3.942400      7.8199998E-02
 H    1.638300      -2.953200      -1.375400    
 H   -2.155200       2.471300      -1.208400    
 H   -3.172100       3.102600      9.1600001E-02
 H   -1.465500       2.857400      0.3868000    
 H   -4.082900      0.4216000      -1.184300    
 H   -4.772600       1.367400      0.1404000    
 H   -4.374800     -0.3169000      0.4068000    
 H    4.303500       1.147000       1.099400    
 H    2.846600       1.844600       1.888300    
 H    3.727400       2.765800      0.6521000    


%chk=000110636-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000110636

0 1
O 2.073734 0.102256 0.586989
O 2.416890 1.623962 -1.152793
C -1.722587 0.064733 -0.169214
C 0.604433 -1.841586 0.356401
C -0.352011 0.542655 0.386257
C 0.799702 -0.374238 -0.060415
C -1.938075 -1.423313 0.220000
C -0.756651 -2.321278 -0.212977
C -2.892999 0.983117 0.309386
C 1.767309 -2.741582 -0.108593
C -2.667229 2.468533 -0.071399
C -4.261447 0.516432 -0.248991
C 2.780432 1.113326 -0.067397
C 4.022077 1.481192 0.718789
H -1.685230 0.127584 -1.280921
H 0.548308 -1.870363 1.465275
H -0.132914 1.569171 0.045543
H -0.390124 0.553418 1.495097
H 0.937945 -0.296237 -1.157866
H -2.868084 -1.808578 -0.236681
H -2.068735 -1.489631 1.321407
H -0.934985 -3.365565 0.109758
H -0.695283 -2.340038 -1.321975
H -2.934495 0.915327 1.419147
H 2.726577 -2.403432 0.319630
H 1.600267 -3.789535 0.202528
H 1.859812 -2.728047 -1.212023
H -2.530196 2.575917 -1.165162
H -3.542654 3.078906 0.218707
H -1.782512 2.903625 0.424889
H -4.245058 0.494839 -1.356373
H -5.062718 1.212954 0.060386
H -4.541660 -0.490102 0.107450
H 4.648670 0.587745 0.883463
H 3.739115 1.870918 1.712254
H 4.595178 2.243617 0.171823


