%chk=000159204.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159204

0 1
 O  -0.3446000       1.254800      0.8612000    
 O    2.480400      -2.325100     -0.8027000    
 O    4.235400       2.019500     -1.2400000E-02
 O    2.672200       3.802300      0.8239000    
 O    4.879800      -1.780200      -1.199600    
 C   -1.975800      0.7263000     -0.8778000    
 C   -3.525100      0.7057000      -1.100600    
 C   -3.473400       2.172700     -0.5668000    
 C   -1.537200      0.5001000      0.5893000    
 C   -2.088400       2.236000      -1.264100    
 C   -3.333200       2.305100      0.9521000    
 C   -2.638800       1.063700       1.527900    
 C   -1.330100     -0.9858000      0.9128000    
 C   -4.404300     -0.2871000     -0.3766000    
 C   -3.907200      0.6174000      -2.576300    
 C  -0.1574000      -1.599600      0.1358000    
 C    1.009400     -0.6387000      0.1003000    
 C   0.8427000      0.7065000      0.4572000    
 C   0.1811000      -2.966900      0.7436000    
 C   -1.033100      -3.895800      0.8412000    
 C    1.927500       1.590700      0.4331000    
 C    2.276200      -1.056000     -0.3406000    
 C    3.354700     -0.1695000     -0.3763000    
 C    3.181900       1.152600      1.8100001E-02
 C   -2.166700      -3.297700       1.675500    
 C   -1.539900      -4.214300     -0.5673000    
 C    1.751000       2.986400      0.8272000    
 C    4.663000     -0.6235000     -0.8379000    
 H   -1.393200      0.1569000      -1.609000    
 H   -4.214400       2.865700     -0.9784000    
 H   -2.084500       2.479500      -2.330500    
 H   -1.358500       2.912100     -0.8055000    
 H   -4.320500       2.410000       1.416200    
 H   -2.769100       3.212000       1.200400    
 H   -2.164200       1.381200       2.468800    
 H   -3.338600      0.3030000       1.872800    
 H   -2.255600      -1.418900      0.5873000    
 H   -1.136000      -1.029400       1.989200    
 H   -4.644300     -8.2800001E-02  0.6602000    
 H   -5.403800     -0.3024000     -0.8355000    
 H   -4.032600      -1.309900     -0.4805000    
 H   -3.292300       1.208900      -3.258100    
 H   -3.830400     -0.4185000      -2.929800    
 H   -4.943400      0.9419000      -2.731200    
 H  -0.4574000      -1.739700     -0.9098000    
 H   0.9331000      -3.511600      0.1708000    
 H   0.6063000      -2.829400       1.747300    
 H  -0.7010000      -4.830500       1.311200    
 H   -3.037300      -2.922800       1.132300    
 H   -1.860500      -2.724600       2.551800    
 H   -2.632500      -4.172700       2.161900    
 H   -1.990700      -3.348700      -1.062500    
 H   -2.309700      -4.992900     -0.5197000    
 H  -0.7318000      -4.592000      -1.202600    
 H   0.7461000       3.312000       1.140800    
 H    3.398300      -2.598200     -0.6491000    
 H    5.482000      0.1139000     -0.8558000    
 H    3.930400       2.939000     -2.5100000E-02


%chk=000159204-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159204

0 1
O -0.320362 1.298692 1.015160
O 2.118094 -2.251541 -1.199840
O 4.332842 1.876137 -0.033488
O 3.015927 3.675136 1.083029
O 4.492015 -1.859531 -1.856845
C -1.877499 0.948903 -0.873919
C -3.403643 0.792594 -1.318631
C -3.580721 2.254302 -0.740108
C -1.654166 0.634475 0.621668
C -2.062261 2.501220 -1.032087
C -3.780553 2.223433 0.791502
C -2.698327 1.354371 1.530211
C -1.481899 -0.854665 0.965296
C -4.301206 -0.327203 -0.758140
C -3.506110 0.756792 -2.862665
C -0.324986 -1.560908 0.211238
C 0.870949 -0.617399 0.055582
C 0.835416 0.713231 0.532081
C 0.100358 -2.873745 0.950198
C -0.945388 -4.031682 1.046109
C 1.995164 1.574198 0.542697
C 2.074253 -1.031029 -0.585750
C 3.263377 -0.202534 -0.632383
C 3.219606 1.089887 -0.031145
C -1.960702 -3.903260 2.210597
C -1.663692 -4.304011 -0.298176
C 1.963954 2.913541 1.076254
C 4.451569 -0.695725 -1.284547
H -1.127687 0.449232 -1.509897
H -4.326382 2.902908 -1.232755
H -1.860592 2.852562 -2.055580
H -1.513045 3.137567 -0.319726
H -4.791340 1.839329 1.026514
H -3.741351 3.262249 1.170729
H -2.122310 1.987694 2.227293
H -3.198733 0.593680 2.157134
H -2.426328 -1.382982 0.764952
H -1.300345 -0.921551 2.056402
H -4.347659 -0.348378 0.343102
H -5.335819 -0.188702 -1.126869
H -3.961787 -1.322148 -1.106267
H -2.887531 1.527963 -3.352421
H -3.182857 -0.228106 -3.250346
H -4.554379 0.915454 -3.180043
H -0.665096 -1.849668 -0.803906
H 0.980465 -3.273124 0.418930
H 0.434052 -2.603657 1.973471
H -0.338849 -4.934930 1.272209
H -2.698699 -3.099465 2.042000
H -1.444593 -3.695152 3.166740
H -2.526038 -4.846912 2.331184
H -2.365713 -3.487887 -0.558641
H -2.255290 -5.236742 -0.241502
H -0.939318 -4.408148 -1.127064
H 1.017816 3.299685 1.491546
H 3.094561 -2.361665 -1.610301
H 5.349781 -0.054723 -1.292933
H 4.057056 2.792643 0.430247


