%chk=000168709.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168709

0 1
 O  -0.1631000       2.341900      0.7147000    
 O    2.965900      0.1047000       1.760600    
 O   8.9199997E-02  -2.899500      0.6426000    
 O   -2.878200       1.743900      -1.287800    
 O    2.773800      -2.220100       1.463700    
 O   -2.160300       2.491700       1.753300    
 C   0.9136000      0.1406000      0.5076000    
 C  -0.5158000     -0.5213000      0.7494000    
 C   -1.708700      0.4703000      0.4818000    
 C    2.021100     -0.6824000     -0.2586000    
 C   0.6937000       1.538700     -0.1223000    
 C    2.643000      3.9000001E-02  -1.513800    
 C  -0.7914000      -1.908800      0.1172000    
 C   -2.954500     -0.1384000       1.173500    
 C   -3.291800      -1.302000      0.2424000    
 C    1.568700      0.3375000       1.916200    
 C   -2.208400      0.5217000     -0.9969000    
 C   -2.231200      -2.399500      0.3835000    
 C    1.984400       2.300600     -0.3852000    
 C    3.070100     -0.9732000      0.8363000    
 C    3.001200       1.513500      -1.210000    
 C   -1.384600       1.847900       1.053800    
 C   -3.181200     -0.6297000      -1.098300    
 C    1.678000     -7.6300003E-02  -2.722200    
 C    3.935800     -0.6682000      -2.008400    
 C   -3.869400     -0.9726000      -2.193000    
 H  -0.5611000     -0.7228000       1.829600    
 H    1.639300      -1.636900     -0.6264000    
 H   0.1891000       1.486300      -1.082100    
 H  -0.6197000      -1.857300     -0.9643000    
 H   -3.787800      0.5757000       1.219600    
 H   -2.758900     -0.4636000       2.202000    
 H   -4.294000      -1.694500      0.4414000    
 H    1.422400       1.331800       2.347800    
 H    1.218000     -0.3871000       2.659800    
 H   -1.407200      0.3859000      -1.723900    
 H   -2.288100      -2.823000       1.395600    
 H   -2.453300      -3.234700     -0.2936000    
 H    2.439800       2.617900      0.5614000    
 H    1.749800       3.244300     -0.8953000    
 H    4.099400      -1.030900      0.4862000    
 H    3.187500       2.048700      -2.150500    
 H    3.955400       1.553800     -0.6673000    
 H   0.6771000      0.3013000      -2.537200    
 H    2.068400      0.4670000      -3.590800    
 H    1.559100      -1.125200      -3.021200    
 H    4.230000     -0.3015000      -2.999600    
 H    4.794900     -0.4868000      -1.355800    
 H    3.787500      -1.751200      -2.086100    
 H  -0.1027000      -3.735800      0.1850000    
 H   -3.642000       1.828300     -0.6923000    
 H   -3.747700     -0.4282000      -3.123100    
 H   -4.564000      -1.805400      -2.178800    
 H    3.590300      -2.525100       1.894200    


%chk=000168709-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168709

0 1
O -0.144686 2.324781 0.838582
O 2.915162 0.366318 1.985728
O 0.180142 -2.913449 0.410937
O -2.520839 1.870306 -1.427204
O 3.484827 -1.924726 1.475913
O -2.245271 2.473324 1.725881
C 0.923005 0.089754 0.612070
C -0.498596 -0.608622 0.728767
C -1.704263 0.397070 0.519111
C 2.143421 -0.655551 -0.098095
C 0.726544 1.484705 -0.048689
C 2.577311 -0.079297 -1.494470
C -0.785201 -1.904225 -0.074324
C -2.964282 -0.236509 1.175546
C -3.326150 -1.327516 0.135656
C 1.452597 0.259004 2.079990
C -2.149456 0.513611 -1.013459
C -2.228981 -2.432025 0.169843
C 2.028193 2.230967 -0.317212
C 3.300581 -0.577141 0.941726
C 2.844948 1.471057 -1.412353
C -1.412140 1.799112 1.083045
C -3.274420 -0.522676 -1.155419
C 1.503655 -0.400408 -2.577101
C 3.867463 -0.798940 -1.988191
C -4.095628 -0.612515 -2.227103
H -0.586007 -0.940242 1.783590
H 1.894263 -1.724369 -0.207442
H 0.178760 1.401245 -1.000076
H -0.622581 -1.741746 -1.159664
H -3.767874 0.514659 1.274592
H -2.754563 -0.640504 2.180979
H -4.316379 -1.784671 0.305050
H 1.089599 1.167899 2.584284
H 1.192861 -0.638632 2.673112
H -1.319752 0.279559 -1.698425
H -2.239777 -2.907134 1.171040
H -2.459506 -3.217187 -0.577644
H 2.609394 2.312504 0.616253
H 1.793678 3.254978 -0.658023
H 4.257097 -0.181929 0.556967
H 2.630215 1.908571 -2.406782
H 3.921207 1.646652 -1.225940
H 0.539607 0.108156 -2.413312
H 1.866777 -0.080955 -3.571898
H 1.312864 -1.489537 -2.623713
H 4.136524 -0.437846 -2.998920
H 4.738022 -0.617183 -1.334662
H 3.714843 -1.892937 -2.045552
H -0.020316 -3.784353 -0.017735
H -3.274325 2.194950 -0.869108
H -3.983332 0.062927 -3.082807
H -4.909330 -1.345777 -2.269590
H 4.161494 -1.882508 2.200649


