%chk=000158132.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158132

0 1
 O   9.5299996E-02  0.8500000      0.1597000    
 O    1.806900       2.391400     -4.7699999E-02
 C    2.787800     -0.7519000     -0.6655000    
 C    3.715500      0.2399000     -5.1100001E-02
 C    2.311700      0.1416000      0.4422000    
 C    2.339900     -0.4780000      -2.061800    
 C    2.927600      -2.206200     -0.3597000    
 C    4.794700     -0.2229000      0.8420000    
 C    1.393400       1.259100      0.1571000    
 C    6.029200     -0.6365000      0.4971000    
 C    7.020100      -1.079900       1.537200    
 C    6.525600     -0.6942000     -0.9199000    
 C  -0.8708000       1.871200     -0.1082000    
 C   -2.244300       1.268200     -7.0799999E-02
 C   -2.800800      0.7514000      -1.235000    
 C   -2.947500       1.232200       1.128000    
 C   -4.789500      0.1513000     -1.3000000E-03
 C   -4.077900      0.1911000      -1.200300    
 C   -4.224400      0.6718000       1.162900    
 C   -6.154300     -0.4483000      3.5999998E-02
 C   -6.120800      -1.951800      0.3443000    
 C   -7.517100      -2.549400      0.4146000    
 H    3.990100       1.111800     -0.6365000    
 H    2.145200     -0.3194000       1.412100    
 H    2.344100      0.5879000      -2.315000    
 H    2.999100     -0.9791000      -2.779300    
 H    1.323000     -0.8534000      -2.220100    
 H    2.002500      -2.738000     -0.6089000    
 H    3.133800      -2.407200      0.6973000    
 H    3.737400      -2.648300     -0.9502000    
 H    4.551200     -0.2110000       1.903600    
 H    6.613100      -1.021300       2.552200    
 H    7.915000     -0.4502000       1.501000    
 H    7.317700      -2.118300       1.358200    
 H    5.778100     -0.3638000      -1.646900    
 H    6.806000      -1.720300      -1.179400    
 H    7.406000     -5.4000001E-02  -1.037800    
 H  -0.6776000       2.313800      -1.093500    
 H  -0.7856000       2.667700      0.6416000    
 H   -2.254000      0.7747000      -2.173600    
 H   -2.515700       1.632500       2.041100    
 H   -4.506100     -0.2134000      -2.113500    
 H   -4.767600      0.6446000       2.103800    
 H   -6.661200     -0.2777000     -0.9226000    
 H   -6.764800      7.0699997E-02  0.7866000    
 H   -5.609600      -2.127400       1.298800    
 H   -5.543000      -2.478600     -0.4250000    
 H   -7.461100      -3.620100      0.6341000    
 H   -8.044700      -2.424000     -0.5362000    
 H   -8.108500      -2.071200       1.201900    


%chk=000158132-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000158132

0 1
O 0.107121 0.381547 -0.904040
O 1.831170 1.825102 -1.539799
C 3.422178 -0.910770 -2.040581
C 3.805557 -0.333361 -0.667921
C 2.291415 -0.532863 -1.030903
C 3.659757 -0.036354 -3.270039
C 3.592117 -2.405707 -2.311308
C 4.422407 -1.128281 0.424313
C 1.448828 0.674168 -1.197651
C 5.249350 -0.663180 1.408802
C 5.812852 -1.609138 2.456728
C 5.681699 0.783870 1.565411
C -0.841932 1.546710 -1.027536
C -2.190619 1.098753 -0.527274
C -3.180240 0.631534 -1.427188
C -2.501996 1.145247 0.855024
C -4.760617 0.259932 0.425317
C -4.445461 0.218475 -0.957362
C -3.766403 0.730785 1.322789
C -6.107976 -0.225676 0.936594
C -6.099778 -1.740054 1.293075
C -7.465713 -2.228009 1.819929
H 4.092463 0.723729 -0.714134
H 1.774419 -1.375679 -0.563725
H 3.478023 1.029461 -3.055378
H 4.704228 -0.153333 -3.616072
H 2.992130 -0.337770 -4.099817
H 2.936396 -2.718188 -3.145161
H 3.341047 -3.031213 -1.437246
H 4.637606 -2.628007 -2.597771
H 4.182609 -2.201809 0.433882
H 5.477215 -2.648751 2.297758
H 5.505629 -1.301050 3.476381
H 6.921402 -1.601006 2.445932
H 5.241586 1.457146 0.812944
H 6.784606 0.871092 1.497596
H 5.397514 1.165624 2.566274
H -0.866177 1.848055 -2.089926
H -0.423316 2.383012 -0.439829
H -2.957713 0.594066 -2.500703
H -1.748729 1.509184 1.564330
H -5.201648 -0.133027 -1.670315
H -3.992074 0.780537 2.395330
H -6.892124 -0.047945 0.174342
H -6.402360 0.345838 1.838958
H -5.313375 -1.928071 2.050278
H -5.810884 -2.320486 0.394896
H -7.438807 -3.305028 2.066860
H -8.261648 -2.073510 1.066947
H -7.758629 -1.678502 2.734588


