%chk=000160921.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160921

0 1
 O   0.2541000      0.3900000     -0.1729000    
 O   -1.250600       2.621900     -0.4844000    
 O   -5.258700      4.0500000E-02 -0.2117000    
 O   -3.799800      -2.243200      0.1047000    
 O   -4.001600       2.472500     -0.5093000    
 O   -1.418100      -3.297900      0.2756000    
 O    6.574600      0.2471000     -7.3299997E-02
 C   -1.748000     -0.9776000     -2.6799999E-02
 C   -1.110900      0.2532000     -0.1761000    
 C   -1.866900       1.414300     -0.3386000    
 C    1.031500     -0.7459000     -5.5000000E-03
 C   -3.142400      -1.057500     -3.8600001E-02
 C  -0.9264000      -2.186000      0.1414000    
 C   -3.896100      0.1057000     -0.2009000    
 C   -3.259900       1.338900     -0.3505000    
 C   0.5368000      -1.985400      0.1409000    
 C    2.485000     -0.4862000     -2.3300000E-02
 C    3.366500      -1.457300     -0.5045000    
 C    2.985100      0.7328000      0.4413000    
 C    4.739400      -1.211100     -0.5211000    
 C    4.358000      0.9793000      0.4247000    
 C    5.235300      7.3000002E-03 -5.6600001E-02
 C  -0.9790000       3.357400      0.7063000    
 C   -5.921900      0.1739000       1.042900    
 C    7.014000       1.513400      0.4161000    
 H    1.146300      -2.870000      0.2839000    
 H    3.018700      -2.409800     -0.8953000    
 H    2.324100       1.504300      0.8293000    
 H    5.417800      -1.969900     -0.9015000    
 H    4.675600       1.945500      0.8018000    
 H   -3.172100      -2.973100      0.2154000    
 H   -4.942100       2.226800     -0.5414000    
 H  -0.4857000       4.292100      0.4262000    
 H   -1.908600       3.596700       1.232300    
 H  -0.3104000       2.793400       1.364300    
 H   -5.676400       1.130900       1.514000    
 H   -7.000300      0.1392000      0.8653000    
 H   -5.651400     -0.6510000       1.709500    
 H    6.776000       1.639000       1.477800    
 H    6.629600       2.336600     -0.1957000    
 H    8.105300       1.532700      0.3287000    


%chk=000160921-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000160921

0 1
O 0.347212 0.377237 0.076863
O -0.964030 2.766890 -0.032212
O -5.263770 0.507462 -0.090223
O -3.860493 -2.114785 -0.067839
O -3.874492 2.734709 -0.028693
O -1.625593 -3.296397 -0.042713
O 6.718998 0.075536 0.073206
C -1.750725 -0.893655 0.022443
C -1.056610 0.346122 0.049400
C -1.724306 1.592855 0.043306
C 1.082116 -0.814389 0.047228
C -3.184822 -0.912386 -0.010933
C -1.000827 -2.147900 -0.006019
C -3.868337 0.319433 0.005429
C -3.143690 1.549042 0.012446
C 0.441381 -2.042787 0.006668
C 2.531223 -0.563509 0.061010
C 3.468166 -1.636786 0.132627
C 3.030445 0.765665 -0.003534
C 4.846166 -1.389678 0.135671
C 4.413899 1.026389 -0.001170
C 5.329086 -0.055296 0.066827
C -1.264429 3.816170 0.969241
C -6.133469 -0.373337 0.725565
C 7.282461 1.428997 -0.001938
H 1.017037 -2.968586 -0.028724
H 3.120516 -2.672748 0.192648
H 2.319184 1.594373 -0.060913
H 5.571605 -2.206294 0.191605
H 4.764541 2.060885 -0.054741
H -3.113776 -2.859712 -0.070990
H -4.838064 2.469523 -0.082080
H -0.547095 4.622438 0.754524
H -2.299567 4.178268 0.858090
H -1.102971 3.428888 1.993698
H -5.944117 -0.203190 1.802416
H -7.161077 -0.078225 0.466105
H -5.944386 -1.426788 0.469575
H 6.974623 2.039134 0.868632
H 6.982248 1.935168 -0.939184
H 8.372138 1.284766 0.011080


