%chk=000168630.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168630

0 1
 O   -1.667600       1.764800     -0.6847000    
 O   -1.371500      -2.704300      0.9042000    
 O   -3.961800       1.754100     -0.8612000    
 O    2.557300       3.357400       1.017000    
 C   -1.278800     -0.4676000     -9.1000004E-03
 C  -0.7119000      0.9581000      2.2600001E-02
 C  -0.7090000      -1.442400       1.047600    
 C   0.8233000      -1.708000       1.036300    
 C   -2.732800     -0.1036000      9.0099998E-02
 C   0.6084000       1.039500     -0.6744000    
 C    1.478100      -2.122400     -0.2760000    
 C    1.776100       1.411700     -0.1186000    
 C   -2.914000       1.230700     -0.5291000    
 C    3.059900      0.9548000     -0.7735000    
 C    3.443800     -0.4429000     -0.2524000    
 C    2.583800      -1.553700     -0.8070000    
 C   -3.771500     -0.7304000      0.6488000    
 C    1.930100       2.103900       1.206300    
 C   0.8583000      -3.299700     -0.9871000    
 H   -1.155800     -0.9120000      -1.007200    
 H  -0.6734000       1.329800       1.051300    
 H  -0.9729000      -1.069900       2.046000    
 H    1.029500      -2.518700       1.749300    
 H    1.318000     -0.8279000       1.454600    
 H   0.6334000      0.5726000      -1.658800    
 H    2.961800      0.9405000      -1.866600    
 H    3.866400       1.663700     -0.5519000    
 H    3.453400     -0.4694000      0.8432000    
 H    4.478300     -0.6510000     -0.5549000    
 H    2.947100      -1.942500      -1.758200    
 H   -1.087600      -3.272300       1.640500    
 H   -3.665800      -1.694400       1.131000    
 H   -4.766500     -0.2970000      0.6446000    
 H    2.546300       1.502300       1.882400    
 H   0.9811000       2.293300       1.709700    
 H  -0.1201000      -3.037200      -1.398800    
 H   0.7386000      -4.140400     -0.2957000    
 H    1.475200      -3.655500      -1.819500    
 H    2.668700       3.759800       1.895200    


%chk=000168630-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168630

0 1
O -1.761386 1.834033 -0.634064
O -1.460535 -2.648970 1.023113
O -4.087310 1.760733 -0.776586
O 3.042472 3.074514 1.110327
C -1.292987 -0.460539 0.028577
C -0.697465 0.992110 0.030356
C -0.709434 -1.376137 1.125946
C 0.832841 -1.633111 1.070469
C -2.791242 -0.180552 0.083332
C 0.599710 1.079635 -0.703064
C 1.446377 -2.082422 -0.256532
C 1.793803 1.457710 -0.167138
C -3.020814 1.198343 -0.470704
C 3.082426 1.016526 -0.827264
C 3.459451 -0.412140 -0.266121
C 2.582493 -1.534784 -0.790390
C -3.827544 -0.954444 0.490910
C 1.933591 2.106402 1.200937
C 0.797936 -3.278014 -0.941565
H -1.061944 -0.916501 -0.955770
H -0.623743 1.365136 1.070575
H -0.928385 -0.921156 2.119668
H 1.029293 -2.417046 1.839927
H 1.345024 -0.726055 1.434802
H 0.591544 0.638961 -1.708489
H 2.962182 0.950243 -1.923751
H 3.901313 1.720121 -0.604100
H 3.452159 -0.370971 0.840257
H 4.506280 -0.621475 -0.558533
H 2.925836 -1.965013 -1.744607
H -1.014805 -3.324696 1.594247
H -3.662431 -1.964547 0.872185
H -4.847539 -0.555200 0.431020
H 2.170776 1.342532 1.979981
H 0.993186 2.616352 1.487731
H -0.269318 -3.107150 -1.167886
H 0.829052 -4.172662 -0.286141
H 1.325271 -3.530042 -1.878165
H 3.109766 3.574074 1.962510


