%chk=000076359.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076359

0 1
 O  -0.9501000      0.6932000      0.6833000    
 O   0.8420000     -0.2562000     -0.4703000    
 O   -1.751100      0.3701000     -0.4892000    
 O   0.8073000      -1.298400      0.5467000    
 C   0.3658000      0.9192000      0.1837000    
 C    1.274100       1.267500       1.369800    
 C   0.3400000       2.065700     -0.8352000    
 C    2.677700       1.674100      0.9250000    
 C    1.742700       2.476300      -1.281100    
 C    2.634500       2.813500     -8.9400001E-02
 C   -3.062900      0.1443000      5.7000001E-03
 C    1.281000      -2.469600     -0.1023000    
 C   -3.548400       1.418500      0.6955000    
 C   -3.953500     -0.1929000      -1.188200    
 C   -3.017500      -1.024200      0.9892000    
 C    2.700600      -2.207500     -0.6030000    
 C    1.273400      -3.599600      0.9248000    
 C   0.3443000      -2.793900      -1.265100    
 H    1.348800      0.4380000       2.082400    
 H   0.8226000       2.093400       1.936300    
 H  -0.1810000       2.931300     -0.4061000    
 H  -0.2228000       1.780400      -1.732400    
 H    3.192600      0.8114000      0.4861000    
 H    3.264000       1.983100       1.797800    
 H    1.677000       3.343600      -1.947800    
 H    2.198900       1.664400      -1.860600    
 H    2.260100       3.721500      0.3992000    
 H    3.649200       3.034600     -0.4390000    
 H   -2.976300       1.649600       1.600800    
 H   -4.600400       1.332200      0.9884000    
 H   -3.446000       2.283900      3.0600000E-02
 H   -4.987600     -0.3818000     -0.8825000    
 H   -3.579700      -1.078900      -1.714300    
 H   -3.951200      0.6242000      -1.918800    
 H   -2.548600      -1.901900      0.5305000    
 H   -4.025100      -1.304600       1.315300    
 H   -2.435900     -0.7934000       1.888500    
 H    3.339800      -1.846800      0.2112000    
 H    3.148800      -3.119300      -1.012800    
 H    2.735000      -1.445600      -1.389400    
 H   0.2640000      -3.757900       1.321600    
 H    1.907300      -3.349700       1.783400    
 H    1.628400      -4.541600      0.4942000    
 H   0.3721000      -2.031400      -2.051300    
 H   0.6080000      -3.750600      -1.729000    
 H  -0.6951000      -2.853000     -0.9236000    


%chk=000076359-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076359

0 1
O -0.813669 0.317422 0.628640
O 1.267407 -0.186086 -0.532976
O -1.686307 0.099907 -0.641985
O 1.770077 -1.275764 0.441803
C 0.495410 0.819410 0.209673
C 1.147107 1.217984 1.554743
C 0.422196 1.997623 -0.792835
C 2.535190 1.858789 1.322069
C 1.799449 2.679358 -0.977238
C 2.436972 3.077630 0.374880
C -3.114311 0.155017 -0.191345
C 1.525458 -2.613652 -0.197348
C -3.445169 1.552811 0.370027
C -3.840945 -0.111170 -1.528784
C -3.388809 -0.962246 0.836508
C 2.244980 -2.681369 -1.559533
C 2.192022 -3.538945 0.845717
C 0.014497 -2.876984 -0.321422
H 1.227873 0.321436 2.190629
H 0.474261 1.940357 2.054011
H -0.316563 2.713883 -0.384356
H 0.027761 1.631288 -1.755122
H 3.213735 1.099929 0.888902
H 2.959157 2.161397 2.298696
H 1.677282 3.571251 -1.622029
H 2.474721 1.981478 -1.507096
H 1.821762 3.866739 0.856305
H 3.441160 3.511483 0.205042
H -2.835609 1.759801 1.265578
H -4.512795 1.611520 0.650610
H -3.237339 2.331911 -0.384909
H -4.932440 -0.111857 -1.358459
H -3.548486 -1.091680 -1.942565
H -3.601016 0.670784 -2.269972
H -3.125647 -1.946750 0.411867
H -4.458209 -0.971147 1.116557
H -2.786821 -0.805585 1.746865
H 3.316614 -2.442131 -1.442145
H 2.154039 -3.695693 -1.989941
H 1.800822 -1.959102 -2.264208
H 1.717163 -3.419129 1.835079
H 3.268794 -3.315317 0.939814
H 2.075666 -4.590294 0.526873
H -0.462278 -2.096105 -0.936543
H -0.165473 -3.864793 -0.785562
H -0.462886 -2.858210 0.674086


