%chk=000177319.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177319

0 1
 O    3.931300       1.113500      0.8239000    
 O   -3.752300     -0.9681000      -1.454900    
 O    5.109400      -1.384800      0.9011000    
 C   0.9715000     -0.6297000      8.0300003E-02
 C   0.1624000      0.6505000      0.4823000    
 C   -1.346700      0.7145000     -9.1000004E-03
 C    1.536400     -0.5271000      -1.343500    
 C    2.613500      0.5394000      -1.161800    
 C   -2.042600     -0.6560000      0.2993000    
 C    2.292300     -0.7014000      0.9164000    
 C   0.1505000      -1.904300      0.3012000    
 C    3.369100      3.5100002E-02  8.6900003E-02
 C   0.9720000       1.949100      0.2276000    
 C   -1.250500      -1.836400     -0.2925000    
 C    1.925800       1.900000     -0.9714000    
 C   -2.083900       1.839300      0.8021000    
 C   -3.563900     -0.6852000     -6.4700000E-02
 C   -1.458400       1.082000      -1.509000    
 C   -3.510200       1.498300       1.242900    
 C   -4.254700      0.6683000      0.2109000    
 C    4.518400     -0.9058000     -0.2906000    
 C   -4.289300      -1.791400      0.7228000    
 H   7.1699999E-02  0.5853000       1.579300    
 H   0.8104000     -0.2526000      -2.106600    
 H    1.982700      -1.477400      -1.662500    
 H    3.268400      0.5947000      -2.038700    
 H   -1.989700     -0.7765000       1.393400    
 H    2.167400     -0.2674000       1.915000    
 H    2.558800      -1.754500       1.062600    
 H   6.1799999E-02  -2.095800       1.379200    
 H   0.6732000      -2.773200     -0.1184000    
 H    1.572200       2.144900       1.126100    
 H   0.3221000       2.826000      0.1373000    
 H   -1.190000      -1.774900      -1.383700    
 H   -1.753300      -2.782500     -6.6000000E-02
 H    1.371500       2.141500      -1.885900    
 H    2.678800       2.690300     -0.8640000    
 H   -2.112200       2.764200      0.2110000    
 H   -1.524900       2.097300       1.710500    
 H   -2.482600       1.334100      -1.796300    
 H  -0.8645000       1.965200      -1.756800    
 H   -1.152900      0.2717000      -2.170600    
 H   -3.478400      0.9533000       2.194700    
 H   -4.058200       2.426800       1.441500    
 H   -5.284700      0.5108000      0.5556000    
 H   -4.359800       1.249400     -0.7133000    
 H    5.293000     -0.3616000     -0.8410000    
 H    4.196200      -1.756600     -0.8991000    
 H   -5.350000      -1.831300      0.4474000    
 H   -3.887500      -2.783400      0.4945000    
 H   -4.219100      -1.628800       1.803200    
 H    4.339900      0.7444000       1.625500    
 H   -3.487900      -1.888500      -1.620700    
 H    4.597900      -2.151200       1.208800    


%chk=000177319-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177319

0 1
O 3.952229 1.166656 0.823261
O -3.849121 -0.979701 -1.507739
O 5.336814 -1.252154 0.902939
C 0.942758 -0.674635 0.078614
C 0.127887 0.599988 0.508963
C -1.362682 0.709464 -0.025397
C 1.519893 -0.538860 -1.365439
C 2.613165 0.539851 -1.175562
C -2.080571 -0.654193 0.275748
C 2.274879 -0.737706 0.910421
C 0.098582 -1.953341 0.286956
C 3.373345 0.029905 0.085197
C 0.989626 1.891987 0.307049
C -1.308286 -1.846533 -0.336513
C 1.919426 1.904265 -0.937188
C -2.081716 1.846891 0.805321
C -3.615869 -0.686816 -0.064971
C -1.448480 1.091893 -1.531598
C -3.528320 1.496895 1.249584
C -4.280379 0.694012 0.170037
C 4.552692 -0.891962 -0.301339
C -4.326830 -1.769917 0.783359
H -0.004399 0.484158 1.609887
H 0.782654 -0.243390 -2.126627
H 1.955244 -1.509264 -1.682059
H 3.293404 0.621392 -2.045742
H -2.025976 -0.785208 1.380929
H 2.161604 -0.283299 1.911004
H 2.553358 -1.804079 1.056834
H -0.010837 -2.145132 1.375936
H 0.643445 -2.822753 -0.136311
H 1.645601 2.011908 1.188508
H 0.334263 2.783301 0.285071
H -1.220597 -1.726311 -1.433725
H -1.853118 -2.795774 -0.158923
H 1.354824 2.153694 -1.857412
H 2.683748 2.688889 -0.794906
H -2.110136 2.769631 0.193881
H -1.485165 2.092169 1.705756
H -2.482313 1.343252 -1.816444
H -0.816613 1.974939 -1.734859
H -1.133511 0.279740 -2.206988
H -3.508133 0.912492 2.192171
H -4.078278 2.429326 1.480212
H -5.340120 0.548258 0.452735
H -4.283387 1.248397 -0.785069
H 5.270471 -0.340144 -0.930508
H 4.208636 -1.798372 -0.837733
H -5.370899 -1.879227 0.440063
H -3.830869 -2.756358 0.705641
H -4.342099 -1.486198 1.852260
H 4.688961 0.786404 1.376282
H -3.540913 -1.904280 -1.690597
H 4.812510 -1.890649 1.451230


