%chk=000127815.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127815

0 1
 O    4.872100     -0.8748000     -0.7795000    
 O   -2.711800      0.8178000       1.578100    
 O   -6.025900     -0.3735000      0.4895000    
 C    1.686100      0.7749000      6.5000001E-03
 C   0.2168000      0.8277000     -0.4232000    
 C    2.435800     -0.4493000     -0.5666000    
 C  -0.5039000     -0.4608000      7.6300003E-02
 C   -1.993600     -0.4385000     -0.3764000    
 C    1.749800      -1.720700     -3.4200002E-02
 C   0.2446000      -1.744800     -0.3597000    
 C    3.881900     -0.1572000     -5.7200000E-02
 C   -2.707400      0.8404000      0.1433000    
 C    2.596700       1.949100     -0.3460000    
 C  -0.4872000       2.084700      0.1028000    
 C    4.026900       1.373500     -0.2762000    
 C   -1.959400       2.105900     -0.3066000    
 C    2.428900     -0.5089000      -2.122500    
 C   -2.769300      -1.695900      6.6699997E-02
 C   -4.165900      0.9007000     -0.3282000    
 C   -4.219000      -1.667000     -0.4006000    
 C   -4.894900     -0.3818000      5.7999999E-03
 C    4.072100     -0.4724000       1.372700    
 C    4.226400     -0.7291000       2.535100    
 H    1.681500      0.7081000       1.106200    
 H   0.1576000      0.8647000      -1.517900    
 H  -0.4833000     -0.4524000       1.176200    
 H   -2.006600     -0.4151000      -1.476300    
 H    1.845500      -1.790100       1.055500    
 H    2.229900      -2.617600     -0.4440000    
 H   9.4099998E-02  -1.916900      -1.431400    
 H  -0.1820000      -2.614600      0.1529000    
 H    2.472400       2.782300      0.3535000    
 H    2.390200       2.330000      -1.352500    
 H  -1.8000000E-03   2.984100     -0.2935000    
 H  -0.4034000       2.136200       1.195500    
 H    4.558300       1.592600      -1.210300    
 H    4.596600       1.857600      0.5262000    
 H   -2.423600       2.996400      0.1353000    
 H   -2.027300       2.213300      -1.396600    
 H    2.960600      -1.401300      -2.473100    
 H    1.423000     -0.5554000      -2.546700    
 H    2.922200      0.3565000      -2.575800    
 H   -2.735100      -1.790000       1.159200    
 H   -2.309100      -2.599400     -0.3464000    
 H   -4.230400       1.047000      -1.412200    
 H   -4.695500       1.724900      0.1643000    
 H   -4.764800      -2.511500      3.3399999E-02
 H   -4.277900      -1.750100      -1.491400    
 H    5.741700     -0.5032000     -0.5515000    
 H   -3.145300       1.629900       1.891300    
 H    4.362400     -0.9569000       3.566400    


%chk=000127815-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127815

0 1
O 4.871599 -0.951143 -0.824814
O -2.724009 0.744267 1.595990
O -6.054015 -0.327938 0.670285
C 1.691739 0.803274 -0.011992
C 0.213960 0.857392 -0.441732
C 2.443302 -0.436322 -0.588091
C -0.505703 -0.440636 0.051935
C -2.003977 -0.439827 -0.382929
C 1.754963 -1.718243 -0.070021
C 0.240196 -1.722723 -0.414316
C 3.895250 -0.150839 -0.045575
C -2.729391 0.847793 0.109801
C 2.621923 2.002469 -0.341356
C -0.506085 2.111960 0.101899
C 4.066462 1.400030 -0.290176
C -1.986627 2.131451 -0.326147
C 2.503111 -0.449802 -2.139177
C -2.774512 -1.697089 0.093973
C -4.204448 0.878270 -0.375466
C -4.271832 -1.685425 -0.324204
C -4.956797 -0.379690 0.054771
C 4.058440 -0.468745 1.390359
C 4.275823 -0.714585 2.579531
H 1.693023 0.683550 1.094971
H 0.161973 0.889328 -1.553459
H -0.488271 -0.414754 1.163019
H -2.033737 -0.408821 -1.496352
H 1.871754 -1.774923 1.030222
H 2.240363 -2.618216 -0.494567
H 0.098022 -1.852566 -1.507419
H -0.214263 -2.610646 0.063840
H 2.494087 2.828363 0.379769
H 2.397751 2.406909 -1.347097
H -0.003544 3.029119 -0.261098
H -0.444180 2.116594 1.208314
H 4.591893 1.526439 -1.253876
H 4.682883 1.867790 0.496715
H -2.505066 3.014490 0.101053
H -2.052709 2.225849 -1.429753
H 3.152354 -1.274578 -2.475744
H 1.500791 -0.595484 -2.576018
H 2.916131 0.485991 -2.553615
H -2.705724 -1.753624 1.195709
H -2.307020 -2.607620 -0.320316
H -4.216873 0.939183 -1.482675
H -4.731938 1.768523 0.017016
H -4.823140 -2.528528 0.126243
H -4.335911 -1.789056 -1.428904
H 5.744298 -0.921092 -0.355764
H -3.298796 1.461503 1.966941
H 4.446176 -0.938521 3.616496


