%chk=000146603.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146603

0 1
 O   -1.355700     -3.3599999E-02  -1.530200    
 O   -3.364300      -1.992400      -1.510900    
 O   -5.225800      -1.993700      1.5500000E-02
 O    1.604300       2.694000      0.4621000    
 O    1.560000      -2.091100       2.228900    
 O    4.100800      -1.493200      -1.786400    
 O   0.7236000       3.896600      -1.309200    
 O    3.819500      -2.633300      0.7223000    
 C  -0.1924000      0.7782000      -1.308800    
 C  -0.3894000       1.996600     -0.4326000    
 C   -1.479800       2.184600      0.3348000    
 C   -2.488600       1.096800      0.3137000    
 C   -2.366700      6.1000001E-02 -0.6238000    
 C   0.8719000     -0.1264000     -0.7700000    
 C   -3.333800     -0.9291000     -0.6591000    
 C   -3.592000       1.069800       1.203100    
 C   -4.396400     -0.9335000      0.2100000    
 C   -1.763900       3.387700       1.194500    
 C    2.004700     -0.3932000      -1.533700    
 C   0.7226000     -0.6949000      0.4918000    
 C   -4.552300      5.2099999E-02   1.156500    
 C   0.6999000       2.989200     -0.5011000    
 C    1.714600      -1.537300      0.9941000    
 C    2.996500      -1.235700      -1.031400    
 C   -4.564200      -2.662600      -1.076200    
 C    2.851500      -1.807700      0.2325000    
 C    2.730200       3.575700      0.5238000    
 C    3.648800       3.125100       1.639400    
 C   0.3688000      -1.763500       2.941700    
 C    5.214400     -0.6166000      -1.626000    
 C    3.432900      -3.969700       1.034700    
 H   9.1200002E-02   1.135500      -2.307500    
 H   -3.727000       1.845500       1.953200    
 H   -2.726600       3.838200      0.9298000    
 H   -1.773700       3.114300       2.254900    
 H   -1.008000       4.170200       1.075000    
 H    2.125000      4.8400000E-02  -2.519700    
 H  -0.1707000     -0.4580000       1.053600    
 H   -5.389700      4.9400002E-02   1.845100    
 H   -5.257900      -2.724800      -1.922500    
 H   -4.303500      -3.679100     -0.7594000    
 H    2.384400       4.597100      0.7185000    
 H    3.267300       3.548900     -0.4311000    
 H    4.523000       3.777700       1.714700    
 H    3.120500       3.128600       2.598500    
 H    3.987500       2.097900       1.467200    
 H  -0.5256000      -2.125200       2.422900    
 H   0.4130000      -2.290800       3.900400    
 H   0.3161000     -0.6937000       3.171300    
 H    4.938900      0.4071000      -1.899000    
 H    6.014200     -0.9532000      -2.291200    
 H    5.581200     -0.6444000     -0.5951000    
 H    2.586900      -4.308800      0.4266000    
 H    4.285100      -4.623700      0.8277000    
 H    3.194500      -4.052000       2.098800    


%chk=000146603-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000146603

0 1
O -1.145512 0.422211 -1.727765
O -3.204355 -1.680583 -2.069767
O -4.876129 -2.149481 -0.416287
O 1.091773 3.945110 0.890603
O 2.008378 -2.194466 2.237798
O 3.436453 -2.494408 -2.418130
O 1.784342 3.237134 -1.209217
O 3.554354 -3.442143 0.273653
C 0.163796 0.989988 -1.228598
C -0.069565 2.075379 -0.178029
C -1.161227 2.005354 0.675409
C -2.116507 0.891281 0.495606
C -2.074879 0.149310 -0.736360
C 1.076930 -0.147623 -0.782773
C -3.061874 -0.817195 -0.954363
C -3.122751 0.585589 1.456263
C -4.042763 -1.092620 0.019323
C -1.490987 3.020020 1.754128
C 1.888671 -0.783247 -1.744775
C 1.104804 -0.593147 0.561816
C -4.097212 -0.418285 1.246064
C 0.988234 3.115573 -0.236421
C 1.916599 -1.688144 0.927841
C 2.708778 -1.876109 -1.386099
C -4.502102 -2.364429 -1.844353
C 2.713674 -2.360918 -0.047829
C 2.178779 4.971886 0.828040
C 2.118441 5.756914 2.134639
C 1.219969 -1.522846 3.273960
C 4.898058 -2.619980 -2.224692
C 2.892887 -4.644130 0.829101
H 0.580681 1.449125 -2.137328
H -3.151626 1.148788 2.393008
H -2.552044 3.319911 1.686519
H -1.338792 2.580870 2.760194
H -0.850695 3.906591 1.686210
H 1.894872 -0.452948 -2.787978
H 0.507538 -0.069957 1.312038
H -4.858524 -0.653062 1.992708
H -5.275734 -1.902032 -2.486673
H -4.376048 -3.442475 -2.022116
H 2.008609 5.607707 -0.059362
H 3.140868 4.446155 0.691763
H 2.912961 6.525268 2.143357
H 1.145334 6.265185 2.248731
H 2.270272 5.092447 3.002537
H 0.135703 -1.577641 3.055188
H 1.441745 -2.070272 4.201991
H 1.523991 -0.463921 3.383436
H 5.358460 -1.615180 -2.156277
H 5.261148 -3.136187 -3.126555
H 5.125447 -3.206152 -1.319370
H 2.132731 -5.023523 0.120444
H 3.699313 -5.383919 0.947849
H 2.430535 -4.415772 1.803600


