%chk=000079507.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079507

0 1
 O    2.955200     -0.7173000     -0.1676000    
 O    3.740100       1.344400     -0.8532000    
 C   -1.205800     -0.3387000      0.5644000    
 C   -2.685400     -8.2000000E-03  0.3772000    
 C  -0.7355000      -1.340100     -0.4998000    
 C  -0.3564000      0.9394000      0.5282000    
 C   0.7538000      -1.643800     -0.3663000    
 C    1.131800      0.6294000      0.6585000    
 C    1.594500     -0.3701000     -0.3995000    
 C   -2.962000      0.5926000      -1.029300    
 C   -3.507700      -1.309200      0.5060000    
 C   -3.142200      0.9609000       1.485100    
 C   -4.420000      0.9155000      -1.333300    
 C    3.845000      0.3200000     -0.1925000    
 C    4.994800      2.5200000E-02  0.7223000    
 H   -1.060300     -0.8056000       1.549400    
 H  -0.8827000     -0.9628000      -1.515400    
 H   -1.272000      -2.290700     -0.4218000    
 H  -0.6217000       1.616000       1.346900    
 H  -0.4923000       1.491600     -0.4066000    
 H   0.9413000      -2.186900      0.5693000    
 H    1.074600      -2.319800      -1.168500    
 H    1.689200       1.570200      0.5952000    
 H    1.341500      0.2299000       1.659700    
 H    1.509300      7.5599998E-02  -1.399700    
 H   -2.404900       1.524800      -1.165400    
 H   -2.640700     -8.5699998E-02  -1.824500    
 H   -4.576300      -1.100100      0.6325000    
 H   -3.416300      -1.953700     -0.3745000    
 H   -3.198600      -1.887200       1.384700    
 H   -4.234900       1.025600       1.538000    
 H   -2.777400       1.979600       1.318000    
 H   -2.798000      0.6289000       2.471300    
 H   -4.831900       1.638900     -0.6243000    
 H   -4.499600       1.357600      -2.332500    
 H   -5.047500      1.9900000E-02  -1.325800    
 H    5.509900     -0.8797000      0.3903000    
 H    4.632100     -9.1399997E-02   1.746600    
 H    5.702300      0.8589000      0.6958000    


%chk=000079507-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000079507

0 1
O 3.045488 -0.590056 0.307550
O 3.898276 1.270928 -0.819997
C -1.276145 -0.243492 0.517126
C -2.828719 -0.018279 0.312852
C -0.636475 -1.245713 -0.485902
C -0.434536 1.064289 0.524951
C 0.848750 -1.531927 -0.147378
C 1.051042 0.788022 0.870482
C 1.649603 -0.226112 -0.117300
C -3.122907 0.627820 -1.080419
C -3.556473 -1.389028 0.433082
C -3.357288 0.902466 1.450681
C -4.613098 0.881534 -1.404581
C 4.078076 0.253753 -0.110343
C 5.408669 -0.246395 0.413070
H -1.173438 -0.696901 1.530702
H -0.699762 -0.836889 -1.514719
H -1.188387 -2.202830 -0.486848
H -0.839146 1.786220 1.256998
H -0.488672 1.551534 -0.469487
H 0.922078 -2.018784 0.845050
H 1.288853 -2.226318 -0.887308
H 1.633292 1.727012 0.842781
H 1.125845 0.371425 1.894812
H 1.715010 0.228325 -1.125271
H -2.582331 1.592853 -1.146729
H -2.701667 -0.022909 -1.872545
H -4.650293 -1.252804 0.509408
H -3.364534 -2.039257 -0.439733
H -3.225481 -1.929222 1.341122
H -4.461862 0.925452 1.461326
H -3.005513 1.944247 1.339427
H -3.023466 0.533539 2.439813
H -5.082317 1.566804 -0.675779
H -4.714545 1.343247 -2.404448
H -5.196375 -0.056673 -1.413455
H 5.576143 -1.289709 0.094933
H 5.407925 -0.236454 1.517120
H 6.219682 0.394181 0.037855


