%chk=000164653.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164653

0 1
 O    3.726800      0.5094000     -0.6151000    
 O    7.492100       1.341200      0.7981000    
 O    6.086600       3.304800     -0.7907000    
 O    3.467100      -1.247800      0.8977000    
 O    5.597100     -0.2045000       2.441300    
 O    2.356500       2.102800      -2.386900    
 O    2.682000      -3.026500      -1.073600    
 O   3.4000000E-03  -3.429800      -1.571700    
 O   -2.417500      -3.135300     -0.5389000    
 O   -8.603400      0.8927000     -0.9529000    
 O   -8.014700       3.029600      0.7244000    
 C    5.677500       1.948000     -0.6399000    
 C    6.068800       1.453900      0.7530000    
 C    4.164100       1.849800     -0.8456000    
 C    5.440700      9.3000002E-02   1.054100    
 C    3.947300      8.5500002E-02  0.7281000    
 C    3.761900       2.226700      -2.268000    
 C    2.139600      -1.457500      0.6431000    
 C    1.745100      -2.351500     -0.3483000    
 C    1.187900     -0.7640000       1.385700    
 C   0.3880000      -2.553600     -0.5993000    
 C  -0.1691000     -0.9662000       1.134700    
 C  -0.5692000      -1.860900      0.1422000    
 C   -1.991600      -2.056700     -0.1020000    
 C   -2.928500     -0.9119000      0.1577000    
 C   -4.242500      -1.039200     -7.9300001E-02
 C   -5.236200      2.8600000E-02  0.1298000    
 C   -6.459300     -4.6900000E-02 -0.5166000    
 C   -4.927900       1.087400      0.9685000    
 C   -7.399800      0.9639000     -0.3187000    
 C   -5.868400       2.098200       1.166400    
 C   -7.104400       2.036400      0.5228000    
 H    6.208700       1.359200      -1.397800    
 H    5.791700       2.185400       1.521900    
 H    3.628000       2.514600     -0.1545000    
 H    5.961600     -0.6967000      0.4997000    
 H    3.418400      0.7531000       1.420800    
 H    4.219600       1.557800      -3.004400    
 H    4.038600       3.257300      -2.507700    
 H    7.860200       2.217000      0.5896000    
 H    5.614700       3.836200     -0.1269000    
 H    5.142400      0.4873000       2.951500    
 H    2.121700       1.185700      -2.164100    
 H    1.478800     -8.4200002E-02   2.181300    
 H  -0.8765000     -0.4387000       1.767400    
 H    2.293400      -3.842600      -1.428200    
 H   0.7155000      -3.523900      -2.225100    
 H   -2.500000      3.3199999E-02  0.4645000    
 H   -4.643800      -1.982200     -0.4428000    
 H   -6.690500     -0.8815000      -1.174200    
 H   -3.989600       1.165500       1.508300    
 H   -5.634700       2.928600       1.827100    
 H   -8.630700      8.3800003E-02  -1.492000    
 H   -8.810600       2.825500      0.2032000    


%chk=000164653-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000164653

0 1
O 4.358675 1.855678 -0.572380
O 7.587894 -0.807932 -0.215507
O 7.920523 1.963491 0.754622
O 2.977612 0.073428 -1.198595
O 4.919885 -1.802958 -0.262269
O 4.392796 4.576121 0.261870
O 2.394777 -2.469360 0.096910
O -0.012250 -3.020196 1.021389
O -2.395325 -1.727602 2.056038
O -9.657576 -0.256796 0.901691
O -9.689623 0.927465 -1.516226
C 6.757896 1.541670 -0.049373
C 6.474083 0.047095 0.193280
C 5.487487 2.370197 0.249947
C 5.261917 -0.418980 -0.618176
C 4.032283 0.445694 -0.296934
C 5.598106 3.850901 -0.128926
C 1.693201 -0.182412 -0.621314
C 1.464601 -1.441370 -0.028250
C 0.655325 0.766169 -0.734435
C 0.168112 -1.754283 0.481710
C -0.621410 0.438924 -0.242883
C -0.891112 -0.813690 0.384453
C -2.252047 -1.084121 0.967231
C -3.422571 -0.548437 0.216540
C -4.691232 -0.678348 0.721664
C -5.951228 -0.251625 0.112555
C -7.164293 -0.478411 0.832304
C -6.034160 0.379406 -1.164559
C -8.394705 -0.086465 0.289303
C -7.271138 0.771630 -1.706655
C -8.461137 0.542515 -0.984458
H 7.082931 1.699932 -1.092423
H 6.258830 -0.099526 1.278673
H 5.219226 2.283122 1.329859
H 5.477788 -0.341896 -1.701377
H 3.718425 0.329129 0.764901
H 5.787034 3.929169 -1.220479
H 6.430767 4.324439 0.415000
H 8.427654 -0.422523 0.146212
H 7.659469 2.008838 1.711949
H 5.722017 -2.373844 -0.360291
H 3.621267 4.121808 -0.166320
H 0.861529 1.728302 -1.210862
H -1.423635 1.180432 -0.307711
H 3.354123 -2.229817 -0.153286
H 0.859606 -3.501075 0.943894
H -3.237781 -0.090035 -0.761452
H -4.755740 -1.170609 1.704524
H -7.120509 -0.963773 1.816324
H -5.122067 0.561938 -1.741053
H -7.340367 1.253903 -2.685891
H -9.590374 -0.699392 1.780922
H -10.408659 0.684080 -0.873982


