%chk=000071996.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071996

0 1
 O    5.142200     -0.9046000      0.2510000    
 O   -5.236100       1.686200      0.3589000    
 C   0.6273000      0.9043000      0.4098000    
 C  -6.1600000E-02 -0.4978000      0.2851000    
 C    2.113900      0.7012000      0.7169000    
 C    2.879400     -0.1829000     -0.2898000    
 C   -1.614600     -0.3757000     -1.3400000E-02
 C   0.7331000      -1.466300     -0.6358000    
 C    2.231400      -1.562200     -0.2864000    
 C   0.3249000       1.882700     -0.7417000    
 C    3.024400       1.900400      0.9462000    
 C   -1.945200      0.9170000     -0.7529000    
 C  -0.8502000       1.463700      -1.620300    
 C    4.253300     -6.9600001E-02  0.3526000    
 C    4.402000       1.239000       1.115700    
 C   -2.363400     -0.3423000       1.349700    
 C    3.052200      0.3319000      -1.727600    
 C   -2.144800      -1.563400     -0.8484000    
 C   -3.858600     -7.2499998E-02   1.216900    
 C   -3.094700       1.593600     -0.5971000    
 C   -4.144700       1.119000      0.3347000    
 C   -1.850900      -2.825600     -0.1785000    
 C   -1.619400      -3.876100      0.3547000    
 H   0.1968000       1.373700       1.307700    
 H   2.9800000E-02 -0.9584000       1.281800    
 H    2.115800      0.1651000       1.684200    
 H   0.6229000      -1.165900      -1.682300    
 H   0.3917000      -2.495000     -0.5772000    
 H    2.346500      -2.035700      0.6975000    
 H    2.734700      -2.227100     -0.9994000    
 H    1.190800       2.074900      -1.377100    
 H   9.5799997E-02   2.860700     -0.2946000    
 H    2.744800       2.471500       1.837100    
 H    3.026900       2.589200      9.5500000E-02
 H  -0.5405000      0.7066000      -2.348800    
 H   -1.186400       2.326600      -2.208000    
 H    4.603500       1.014100       2.167000    
 H    5.198200       1.852900      0.6890000    
 H   -1.934300      0.4566000       1.972000    
 H   -2.215400      -1.266100       1.921300    
 H    3.477100       1.340500      -1.764600    
 H    3.747600     -0.3135000      -2.279100    
 H    2.118000      0.3393000      -2.293200    
 H   -1.692700      -1.564800      -1.848400    
 H   -3.223400      -1.486300      -1.028400    
 H   -4.269500      0.1342000       2.211700    
 H   -4.387100     -0.9402000      0.8104000    
 H   -3.290700       2.519200      -1.127700    
 H   -1.412600      -4.807100      0.8283000    


%chk=000071996-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000071996

0 1
O 5.192063 -0.958529 0.462879
O -5.255470 1.735005 0.617549
C 0.603739 0.939208 0.325550
C -0.026610 -0.494847 0.204182
C 2.090398 0.759308 0.705207
C 2.931257 -0.155913 -0.245899
C -1.597154 -0.391587 0.002984
C 0.775877 -1.397428 -0.779466
C 2.261843 -1.543129 -0.340945
C 0.335248 1.854048 -0.912769
C 3.012613 1.974111 0.981326
C -1.971126 0.894414 -0.750113
C -0.932229 1.414473 -1.712719
C 4.300332 -0.077390 0.467310
C 4.399530 1.292706 1.181530
C -2.274740 -0.360613 1.407389
C 3.236357 0.386280 -1.682722
C -2.180077 -1.596143 -0.841084
C -3.791900 -0.084513 1.349803
C -3.155627 1.549258 -0.527181
C -4.150314 1.124533 0.480413
C -2.068051 -2.911554 -0.187879
C -1.995743 -4.015432 0.358674
H 0.103793 1.424780 1.191431
H 0.107065 -0.975266 1.198347
H 2.064751 0.189645 1.665924
H 0.731835 -1.002972 -1.813320
H 0.328942 -2.407339 -0.807543
H 2.302959 -2.044043 0.647378
H 2.807032 -2.194447 -1.049234
H 1.198017 1.879087 -1.596637
H 0.184812 2.890914 -0.559203
H 2.696630 2.549233 1.869591
H 3.030523 2.674272 0.126036
H -0.649762 0.613839 -2.425434
H -1.322541 2.258720 -2.307894
H 4.614226 1.107320 2.251562
H 5.256209 1.867562 0.785459
H -1.786457 0.431078 2.009765
H -2.087879 -1.322369 1.920475
H 3.570527 1.439044 -1.684107
H 4.046509 -0.225021 -2.121660
H 2.360880 0.302155 -2.347968
H -1.676473 -1.630552 -1.825850
H -3.246793 -1.392696 -1.052499
H -4.209651 0.086237 2.358360
H -4.332906 -0.963768 0.944553
H -3.409995 2.453681 -1.094718
H -1.934269 -4.980358 0.828166


