%chk=000156517.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156517

0 1
 O   0.1014000      0.7905000      -1.027700    
 O    3.448100      -2.644400      0.3582000    
 O   -5.654400     -0.6429000     -0.3481000    
 O    5.915600      -1.386600      0.1212000    
 O   -4.622800      -2.906300      0.8926000    
 C   0.5469000       2.103900      0.8709000    
 C  -0.9158000       2.359800      0.4925000    
 C    1.139100       1.598100     -0.4439000    
 C   -1.174400       1.327200     -0.6240000    
 C    1.303000       3.276700       1.479500    
 C   -1.209500       3.776200     -1.1000000E-02
 C    2.410300      0.7996000     -0.2925000    
 C   -2.097100      0.1999000     -0.2205000    
 C    2.347200     -0.5695000     -3.3799998E-02
 C   -3.468000      0.2929000     -0.4700000    
 C    3.648400       1.430800     -0.4113000    
 C   -1.581600     -0.9385000      0.4029000    
 C    3.522500      -1.307800      0.1059000    
 C   -4.319400     -0.7476000     -9.7999997E-02
 C    4.823600      0.6926000     -0.2714000    
 C   -2.432900      -1.978800      0.7751000    
 C    4.760800     -0.6767000     -1.2900000E-02
 C   -3.801800      -1.883400      0.5246000    
 C    3.413100      -3.516000     -0.7703000    
 C   -6.102300      0.5506000     -0.9880000    
 H   0.5506000       1.285500       1.605200    
 H   -1.564000       2.189200       1.361300    
 H    1.313400       2.426800      -1.143100    
 H   -1.589400       1.806700      -1.519600    
 H   0.7648000       3.673900       2.346300    
 H    2.293900       2.963700       1.824100    
 H    1.445200       4.089700      0.7604000    
 H   -1.058800       4.515200      0.7823000    
 H  -0.5710000       4.047400     -0.8583000    
 H   -2.252300       3.856800     -0.3370000    
 H    1.403800      -1.089900      5.1399998E-02
 H   -3.812900       1.200900     -0.9533000    
 H    3.710700       2.497000     -0.6122000    
 H  -0.5344000      -1.025000      0.6526000    
 H    5.781600       1.197000     -0.3661000    
 H   -2.018000      -2.853700       1.268600    
 H    6.671900     -0.7857000      7.0000002E-03
 H   -4.090200      -3.606400       1.307600    
 H    4.318400      -3.401500      -1.374700    
 H    2.526100      -3.317400      -1.380200    
 H    3.363600      -4.545900     -0.4063000    
 H   -5.678300      0.6538000      -1.992800    
 H   -5.923000       1.434100     -0.3659000    
 H   -7.187100      0.4631000      -1.109200    


%chk=000156517-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156517

0 1
O 0.004927 0.848709 -1.003483
O 3.337367 -2.727239 0.092769
O -5.840087 -0.711950 -0.505441
O 5.937446 -1.506096 -0.156815
O -4.985682 -2.708380 1.061285
C 0.597854 2.093425 0.942374
C -0.904670 2.418332 0.656665
C 1.119192 1.655080 -0.458065
C -1.278874 1.421591 -0.508326
C 1.423987 3.205587 1.608687
C -1.178437 3.881359 0.246150
C 2.386350 0.823114 -0.445541
C -2.217491 0.294677 -0.111367
C 2.333509 -0.576958 -0.250115
C -3.571375 0.330586 -0.531804
C 3.649830 1.443014 -0.592731
C -1.783964 -0.768806 0.710072
C 3.506049 -1.357873 -0.174082
C -4.490201 -0.667772 -0.135356
C 4.832993 0.677989 -0.508739
C -2.691401 -1.775127 1.106899
C 4.774298 -0.715729 -0.285520
C -4.040880 -1.734933 0.698000
C 4.074107 -3.689758 -0.753012
C -6.328147 0.353313 -1.381309
H 0.635361 1.191104 1.585992
H -1.511378 2.183698 1.549965
H 1.273868 2.560490 -1.088654
H -1.735566 1.996972 -1.340966
H 0.991561 3.493410 2.584505
H 2.458549 2.860667 1.787215
H 1.473370 4.113882 0.980301
H -0.936232 4.585044 1.062370
H -0.590565 4.174670 -0.644173
H -2.247978 4.015633 -0.002197
H 1.368070 -1.086556 -0.190906
H -3.901246 1.145788 -1.184952
H 3.715381 2.521517 -0.776867
H -0.736642 -0.825647 1.020477
H 5.810928 1.167659 -0.613269
H -2.346193 -2.605086 1.738022
H 6.744282 -0.936173 -0.210727
H -4.555755 -3.403363 1.619925
H 5.163177 -3.577271 -0.627723
H 3.799022 -3.554380 -1.816997
H 3.742404 -4.680091 -0.405504
H -5.796208 0.353946 -2.353234
H -6.228317 1.348513 -0.904140
H -7.391992 0.125017 -1.541559


