%chk=000157479.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157479

0 1
 O    4.228800     -0.2566000       1.174000    
 O   0.5841000     -0.6532000       2.091500    
 O    3.174800      -2.309900     -0.8600000    
 O   -4.054800     -0.5373000      -1.631700    
 O   -2.254800       4.516700     -0.2712000    
 C    2.215200      0.9715000      0.3686000    
 C    3.078400     -0.2586000      0.3043000    
 C    3.107600      0.7310000     -0.8261000    
 C   0.7131000      0.8625000      0.1890000    
 C    2.464800      -1.616400      0.1663000    
 C   0.1863000     -0.5292000      0.7151000    
 C   0.9369000      -1.627200     -0.1308000    
 C    4.338600       1.538500      -1.069900    
 C    2.420000      0.3682000      -2.102800    
 C   -1.375800     -0.5221000      0.7154000    
 C  -3.5599999E-02   2.086800      0.6836000    
 C   -1.961500      8.6300001E-02 -0.5704000    
 C   0.4353000      -3.068000      5.4099999E-02
 C   -1.303600       2.426500      0.3709000    
 C   -2.291200       1.575600     -0.4112000    
 C   -2.153900      -1.790400      0.9037000    
 C   -3.187000     -0.7657000     -0.8020000    
 C   -3.194200      -1.946600      7.9599999E-02
 C   -1.867600       3.741500      0.8448000    
 C   -4.203800      -3.023800      1.5300000E-02
 H    2.511900       1.726100       1.088700    
 H   0.4979000      0.9155000     -0.8788000    
 H    2.642700      -2.169200       1.097300    
 H   0.7153000      -1.471100      -1.183100    
 H    5.098300      0.9405000      -1.584200    
 H    4.114700       2.413800      -1.689300    
 H    4.778400       1.910900     -0.1385000    
 H    1.503000     -0.1938000      -2.129000    
 H    2.191700       1.293700      -2.648900    
 H    3.122700     -0.1848000      -2.739500    
 H   -1.687400      7.7500001E-02   1.585900    
 H   0.5418000       2.787000       1.284900    
 H    3.959200     -0.3777000       2.100400    
 H   -1.312000     -8.2500003E-02  -1.437800    
 H  -0.5337000      -3.222100     -0.4261000    
 H    1.113000      -3.786100     -0.4216000    
 H   0.3635000      -3.340800       1.111200    
 H   0.2660000      -1.511000       2.419000    
 H    2.724300      -2.169700      -1.708300    
 H   -3.267700       1.654500      8.7200001E-02
 H   -2.429600       2.012400      -1.408400    
 H   -1.928000      -2.489000       1.699500    
 H   -1.134500       4.322500       1.413600    
 H   -2.734600       3.584900       1.495800    
 H   -4.022700      -3.787600      0.7783000    
 H   -4.179600      -3.513000     -0.9634000    
 H   -5.208100      -2.619300      0.1750000    
 H   -3.091400       4.156300     -0.6112000    


%chk=000157479-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157479

0 1
O 4.209279 -0.362716 1.058335
O 0.670209 -0.662376 2.057979
O 2.973723 -2.420850 -1.138411
O -4.354973 -0.429728 -1.448402
O -2.385177 4.601741 -0.140227
C 2.178929 0.965256 0.255176
C 3.057924 -0.282585 0.168601
C 3.175214 0.791872 -0.931664
C 0.666662 0.817442 0.099092
C 2.401502 -1.651661 -0.011601
C 0.176757 -0.574543 0.653246
C 0.856392 -1.695312 -0.202514
C 4.410520 1.692317 -0.910067
C 2.663272 0.525721 -2.346169
C -1.385676 -0.542899 0.689904
C -0.073291 2.023734 0.659399
C -2.052921 0.038688 -0.589799
C 0.393009 -3.144428 0.079417
C -1.346144 2.381908 0.333572
C -2.246480 1.586671 -0.612966
C -2.180957 -1.807396 0.971219
C -3.378454 -0.747174 -0.713444
C -3.314859 -1.917409 0.209343
C -1.969658 3.641995 0.908685
C -4.402038 -2.953772 0.262534
H 2.500874 1.692227 1.011304
H 0.430611 0.775824 -0.983094
H 2.625259 -2.195212 0.933920
H 0.644349 -1.483603 -1.269479
H 5.231330 1.246443 -1.502760
H 4.167020 2.677730 -1.351184
H 4.786564 1.841463 0.114456
H 1.860979 -0.226524 -2.394933
H 2.294823 1.467237 -2.797891
H 3.485122 0.146019 -2.979953
H -1.590362 0.156103 1.529337
H 0.486027 2.658233 1.361280
H 3.866218 -0.414715 1.988118
H -1.448946 -0.268253 -1.469125
H -0.643642 -3.325012 -0.247446
H 1.053852 -3.836172 -0.470915
H 0.469265 -3.403142 1.155586
H 0.383395 -1.533725 2.434181
H 3.959973 -2.388517 -1.049176
H -3.306488 1.798635 -0.361694
H -2.116849 1.956640 -1.648826
H -1.914462 -2.509560 1.769760
H -1.237194 4.198267 1.515691
H -2.843963 3.388254 1.548849
H -4.244891 -3.678233 1.079472
H -4.460726 -3.508691 -0.692584
H -5.387237 -2.471087 0.397900
H -3.178466 4.242875 -0.613237


