%chk=000152642.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152642

0 1
 O   -5.297700       1.427200      0.1567000    
 O   -4.742700      -1.286800     -0.8367000    
 O    1.156500     -0.1892000       2.473900    
 O    4.688700      0.6604000      -1.797300    
 C   0.4391000     -0.5025000     -0.3595000    
 C  -0.4142000      0.6602000      0.2315000    
 C   -1.831000      0.5793000     -0.3405000    
 C   -2.515800     -0.7606000     -6.0999999E-03
 C    1.907600     -0.4967000      0.2272000    
 C  -0.2745000      -1.882600     -0.2777000    
 C   -1.746200      -1.860900     -0.7283000    
 C   -2.863600       1.633900      4.2700000E-02
 C   0.2353000       2.011100     -9.8800004E-02
 C    2.481000      0.9267000      0.2492000    
 C    2.798500      -1.390400     -0.6848000    
 C   -3.906800     -0.4464000     -0.5324000    
 C   -4.152700       1.058900     -0.5667000    
 C    1.718700       2.022800      8.7700002E-02
 C   -2.676200      -1.072200       1.493500    
 C    1.937200      -1.046500       1.673400    
 C    3.975200       1.072600      0.4586000    
 C    4.299300      -1.281900     -0.4023000    
 C    4.784300      0.1637000     -0.4634000    
 H   0.5262000     -0.2891000      -1.437600    
 H  -0.5087000      0.5905000       1.314500    
 H   -1.729200      0.6519000      -1.437700    
 H  -0.2494000      -2.272000      0.7431000    
 H   0.2592000      -2.611800     -0.8976000    
 H   -1.792000      -1.709100      -1.814600    
 H   -2.203800      -2.840300     -0.5425000    
 H   -2.636300       2.615500     -0.3858000    
 H   -2.947200       1.765500       1.127100    
 H  -0.2054000       2.785800      0.5403000    
 H   2.3900000E-02   2.299000      -1.136100    
 H    2.628900      -1.127900      -1.737900    
 H    2.509600      -2.443300     -0.5812000    
 H   -4.251000       1.371300      -1.612300    
 H    2.184700       3.005300      9.2500001E-02
 H   -1.721100      -1.134000       2.021300    
 H   -3.287900     -0.3252000       2.011000    
 H   -3.185500      -2.034300       1.627500    
 H    2.946800      -1.077200       2.096200    
 H    1.546700      -2.064100       1.748600    
 H    4.285900       2.112400      0.2966000    
 H    4.206700      0.8316000       1.503100    
 H    4.529600      -1.710700      0.5793000    
 H    4.834100      -1.883700      -1.147000    
 H    5.841400      0.2102000     -0.1786000    
 H   -6.067300       1.042300     -0.2962000    
 H    1.690800      0.5922000       2.694700    
 H    5.219500      7.6800004E-02  -2.365900    


%chk=000152642-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152642

0 1
O -5.395721 1.492855 -0.020920
O -4.867529 -1.305948 -0.791351
O 1.283077 -0.361138 2.706198
O 4.634988 0.768616 -1.841468
C 0.440752 -0.490179 -0.291657
C -0.419416 0.689338 0.278770
C -1.826921 0.603137 -0.341656
C -2.537684 -0.751420 -0.040863
C 1.922842 -0.507255 0.252246
C -0.273353 -1.867861 -0.142375
C -1.726793 -1.891924 -0.690151
C -2.898811 1.681177 -0.022864
C 0.247369 2.044808 -0.041384
C 2.511493 0.915995 0.290835
C 2.793122 -1.382452 -0.718588
C -3.952010 -0.477596 -0.557578
C -4.158817 1.060589 -0.662837
C 1.744701 2.034924 0.169592
C -2.756466 -1.015702 1.489060
C 2.029814 -1.115521 1.689594
C 4.020115 1.033229 0.477840
C 4.317294 -1.299118 -0.481218
C 4.819956 0.158789 -0.506626
H 0.531900 -0.287992 -1.384508
H -0.485287 0.578381 1.376808
H -1.674749 0.632156 -1.447625
H -0.301968 -2.157985 0.923608
H 0.311749 -2.648706 -0.664541
H -1.717978 -1.755684 -1.790674
H -2.192314 -2.874898 -0.488073
H -2.661488 2.670355 -0.447343
H -3.058361 1.801733 1.063842
H -0.213760 2.848072 0.567808
H 0.041294 2.320978 -1.100210
H 2.584618 -1.040641 -1.750452
H 2.473524 -2.440330 -0.652223
H -4.185007 1.301597 -1.752185
H 2.246865 3.013970 0.171153
H -1.798131 -1.065360 2.030822
H -3.371094 -0.230959 1.964481
H -3.285445 -1.976932 1.615073
H 3.094793 -1.185167 1.992951
H 1.606957 -2.132318 1.720700
H 4.334575 2.084822 0.354799
H 4.318500 0.723260 1.501089
H 4.593924 -1.751029 0.491705
H 4.844165 -1.892316 -1.256494
H 5.897485 0.189309 -0.233093
H -6.108140 0.848509 -0.279581
H 1.523597 0.597921 2.599284
H 5.146976 0.239615 -2.505023


