%chk=000159014.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159014

0 1
 O  -0.9817000      0.3806000      0.4621000    
 O    3.542000      -1.645300       1.144400    
 O    2.273300     -0.7671000     -0.6586000    
 O    1.987400       1.770000      -1.171300    
 O   0.5003000       4.117900     -0.3766000    
 O   -3.118400       1.234100      0.8490000    
 O    5.147500      -2.982500     -0.8290000    
 O    6.494700     -0.6730000      -1.601100    
 O   -2.396800       3.602200     -0.5220000    
 O    6.234400      0.8489000      0.7993000    
 C   0.1905000      0.3844000     -0.3546000    
 C   0.8689000       1.754700     -0.2882000    
 C  -0.1059000       2.862500     -0.6878000    
 C    4.405500      -1.798600      -1.126400    
 C    5.272000     -0.5633000     -0.8760000    
 C    3.168300      -1.787800     -0.2304000    
 C   -1.428700       2.734800      6.7699999E-02
 C    5.582100     -0.4048000      0.6130000    
 C    4.283800     -0.4552000       1.430300    
 C    1.107300     -0.7247000      0.1517000    
 C   -1.967300       1.305400      8.2000000E-03
 C    4.553300     -0.4482000       2.932600    
 C   -4.080500      0.3287000      0.4944000    
 C   -3.718400     -0.8375000     -0.1724000    
 C   -5.413400      0.5805000      0.8036000    
 C   -4.699200      -1.761200     -0.5339000    
 C   -6.394200     -0.3431000      0.4423000    
 C   -6.037000      -1.514100     -0.2265000    
 C   -7.059900      -2.477100     -0.6025000    
 C   -8.210000      -2.721300      5.8899999E-02
 H  -8.1600003E-02  0.1513000      -1.393400    
 H    1.247200       1.949800      0.7229000    
 H  -0.2727000       2.857600      -1.772200    
 H    4.120400      -1.845800      -2.183600    
 H    4.764900      0.3380000      -1.242300    
 H    2.661800      -2.757100     -0.3168000    
 H   -1.305700       3.050700       1.111200    
 H    6.274400      -1.191100      0.9383000    
 H    3.666000      0.4236000       1.206100    
 H   0.5814000      -1.686500      0.1030000    
 H    1.355100     -0.5414000       1.203900    
 H   -2.242700       1.091000      -1.035500    
 H    5.087700      0.4550000       3.241300    
 H    5.142300      -1.323500       3.227900    
 H    3.610700     -0.5014000       3.488400    
 H    1.664600       1.583500      -2.069400    
 H  -8.4799998E-02   4.818800     -0.7099000    
 H    5.951800      -2.965300      -1.375500    
 H    6.268500     -0.7739000      -2.541500    
 H   -2.089000       4.515700     -0.3980000    
 H    7.036500      0.8448000      0.2494000    
 H   -2.693600      -1.092200     -0.4172000    
 H   -5.696000       1.492800       1.321400    
 H   -4.402800      -2.671700      -1.049400    
 H   -7.428600     -0.1131000      0.6845000    
 H   -6.852800      -3.070300      -1.490700    
 H   -8.895500      -3.476900     -0.3111000    
 H   -8.485600      -2.199500      0.9682000    


%chk=000159014-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159014

0 1
O -1.086549 0.373523 0.209065
O 3.556228 -1.522118 1.264880
O 2.293697 -0.788384 -0.665897
O 1.951175 1.767478 -1.539752
O 0.638682 4.157953 -0.374322
O -3.202605 1.374570 0.534503
O 5.137699 -3.054525 -0.874579
O 6.671025 -0.842329 -1.499504
O -2.207251 3.883949 -0.512933
O 6.543672 0.692994 0.934486
C 0.165104 0.385984 -0.582361
C 0.912711 1.751257 -0.507070
C -0.033476 2.926851 -0.784084
C 4.429731 -1.793097 -1.078455
C 5.377556 -0.601756 -0.806897
C 3.226673 -1.789892 -0.112926
C -1.362981 2.791188 -0.017710
C 5.714436 -0.485528 0.685421
C 4.414788 -0.319330 1.498653
C 0.981528 -0.767283 0.018047
C -2.005700 1.421413 -0.262403
C 4.650121 -0.244723 3.002676
C -4.152584 0.353116 0.277258
C -3.896073 -0.784523 -0.519734
C -5.414227 0.531530 0.892289
C -4.927776 -1.727007 -0.711594
C -6.426631 -0.421948 0.696376
C -6.209527 -1.572495 -0.116943
C -7.240553 -2.602358 -0.359067
C -8.516039 -2.627925 0.118368
H -0.059534 0.185698 -1.654337
H 1.347884 1.877917 0.508057
H -0.260907 2.944839 -1.872635
H 4.037952 -1.731984 -2.115789
H 4.926366 0.349264 -1.153251
H 2.747708 -2.786121 -0.095227
H -1.181289 2.889015 1.072379
H 6.226713 -1.415834 1.010092
H 3.879605 0.584271 1.138811
H 0.464367 -1.733385 -0.142050
H 1.123432 -0.608054 1.102953
H -2.242739 1.259564 -1.339682
H 5.317316 0.603329 3.228378
H 5.122194 -1.175287 3.363609
H 3.695366 -0.106891 3.537902
H 2.452396 0.909515 -1.427331
H 0.005898 4.903565 -0.543938
H 6.061217 -2.914188 -1.219516
H 6.626114 -0.502970 -2.428296
H -3.053315 3.882884 0.002279
H 7.331062 0.628631 0.334413
H -2.905332 -0.956441 -0.947918
H -5.579506 1.416831 1.514093
H -4.730413 -2.612188 -1.328829
H -7.398000 -0.269096 1.178457
H -6.918306 -3.434759 -1.002476
H -9.194447 -3.449968 -0.131002
H -8.922859 -1.841945 0.765261


