%chk=000113513.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113513

0 1
 O  -0.5877000     -0.6143000      -1.854700    
 C   -4.379100      0.5058000     -4.8900001E-02
 C   -3.074600      5.7100002E-02 -0.7538000    
 C    3.108700      -1.165100      0.3448000    
 C   -4.247900       1.839500      0.7208000    
 C   -4.992300     -0.5562000      0.8888000    
 C    4.101200     -5.2499998E-02 -5.2400000E-02
 C   -1.871800     -0.2512000      0.1422000    
 C    3.667400       1.377800      0.2930000    
 C    3.649200      -2.598700      0.1585000    
 C    1.813500     -0.9736000     -0.4170000    
 C  -0.5992000     -0.5447000     -0.6279000    
 C   -3.651900       2.973200     -0.1018000    
 C   -5.172900      -1.922100      0.2417000    
 C    4.681000       2.476800     -3.4299999E-02
 C   0.6423000     -0.7119000      0.1791000    
 C    2.729000      -3.717200      0.6325000    
 C    4.185100       3.877200      0.2895000    
 H   -5.110000      0.6763000     -0.8528000    
 H   -2.786800      0.8270000      -1.481200    
 H   -3.286100     -0.8251000      -1.371600    
 H    2.910200      -1.043600       1.419300    
 H   -3.638800       1.698300       1.621600    
 H   -5.243100       2.148600       1.064800    
 H   -4.369000     -0.6713000       1.783900    
 H   -5.972200     -0.2034000       1.234000    
 H    5.056500     -0.2483000      0.4520000    
 H    4.309200     -0.1117000      -1.129000    
 H   -2.091200      -1.120200      0.7719000    
 H   -1.670800      0.6058000      0.7941000    
 H    2.735200       1.609300     -0.2363000    
 H    3.435000       1.424700       1.364600    
 H    3.889100      -2.766000     -0.8995000    
 H    4.597100      -2.684900      0.7047000    
 H    1.872800      -1.065100      -1.499100    
 H   -2.595600       2.798900     -0.3261000    
 H   -4.194000       3.103600      -1.043600    
 H   -3.715300       3.912600      0.4571000    
 H   -4.212400      -2.400700      3.0600000E-02
 H   -5.737900      -1.843200     -0.6924000    
 H   -5.725900      -2.584100      0.9160000    
 H    4.933300       2.428500      -1.100200    
 H    5.608100       2.289600      0.5202000    
 H   0.5586000     -0.6205000       1.256200    
 H    2.460000      -3.580700       1.684600    
 H    1.808900      -3.757400      4.1900001E-02
 H    3.231100      -4.684800      0.5331000    
 H    3.280100       4.112200     -0.2795000    
 H    3.955200       3.972800       1.355300    
 H    4.949000       4.619200      3.7099998E-02


%chk=000113513-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113513

0 1
O -0.590789 -0.481435 -1.914864
C -4.468956 0.447289 -0.059865
C -3.138548 0.142338 -0.804034
C 3.092787 -1.113054 0.423806
C -4.418742 1.758294 0.776635
C -4.952999 -0.729556 0.835808
C 4.178636 -0.083468 -0.016749
C -1.922237 -0.093301 0.109315
C 3.825794 1.387111 0.297447
C 3.611928 -2.569526 0.203969
C 1.809119 -0.890043 -0.338585
C -0.627535 -0.403126 -0.649588
C -4.083483 3.029187 -0.034383
C -5.174278 -2.062440 0.087374
C 4.947229 2.372565 -0.103679
C 0.586870 -0.606863 0.195786
C 2.682014 -3.659706 0.776115
C 4.594301 3.842862 0.208626
H -5.240476 0.594697 -0.848678
H -2.902444 0.969544 -1.498841
H -3.270313 -0.743454 -1.452448
H 2.900177 -0.975191 1.508915
H -3.689347 1.642866 1.605217
H -5.406836 1.893042 1.262535
H -4.232404 -0.884532 1.665714
H -5.905157 -0.425721 1.317205
H 5.130078 -0.347337 0.489791
H 4.361655 -0.195284 -1.106203
H -2.103421 -0.933412 0.813148
H -1.726538 0.787560 0.756842
H 2.888977 1.666059 -0.225323
H 3.618778 1.492290 1.383501
H 3.762090 -2.736985 -0.882199
H 4.612271 -2.650316 0.674974
H 1.867858 -0.967190 -1.437758
H -3.058218 2.997737 -0.445684
H -4.780742 3.149342 -0.885270
H -4.161427 3.934329 0.596017
H -4.230924 -2.467366 -0.322248
H -5.874153 -1.927943 -0.759259
H -5.601808 -2.829125 0.759799
H 5.156189 2.263763 -1.187632
H 5.883938 2.095877 0.422658
H 0.462161 -0.516562 1.284320
H 2.540982 -3.529153 1.865973
H 1.684403 -3.626779 0.302453
H 3.104458 -4.667443 0.609369
H 3.679497 4.153060 -0.330612
H 4.409882 3.985192 1.290368
H 5.409999 4.527608 -0.087978


