%chk=000003791.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003791

0 1
 O    2.681900      -2.369600      0.3979000    
 O   0.3996000      -2.773700     -0.8615000    
 O   -4.296700       1.237900      0.4955000    
 C    1.687400      -1.374800      0.6227000    
 C    2.223900     -2.5300000E-02  0.2023000    
 C   0.3919000      -1.771500     -0.1185000    
 C  -0.8244000     -0.9902000      4.0700000E-02
 C    2.931800      0.7366000       1.116800    
 C    1.996900      0.4215000      -1.088700    
 C   -1.068200     -0.3153000       1.236700    
 C   -1.747100     -0.9160000      -1.002700    
 C   -3.157800      0.5081000      0.3459000    
 C   -2.235000      0.4337000       1.389400    
 C   -2.913800     -0.1669000     -0.8503000    
 C    3.427000       1.981600      0.7290000    
 C    2.492300       1.666500      -1.476400    
 C    3.207400       2.446500     -0.5675000    
 C   -5.196800       1.271100     -0.6112000    
 H    1.483300      -1.387200       1.698800    
 H    3.109000      0.3818000       2.127900    
 H    1.465900     -0.1716000      -1.826400    
 H  -0.3819000     -0.3601000       2.076100    
 H   -1.571200      -1.431000      -1.943800    
 H   -2.421500      0.9548000       2.324500    
 H   -3.586800     -0.1511000      -1.700700    
 H    3.984300       2.588700       1.436400    
 H    2.326200       2.026500      -2.487600    
 H    3.594300       3.415200     -0.8699000    
 H    2.360200      -3.197600      0.7941000    
 H   -5.595000      0.2759000     -0.8359000    
 H   -4.739700       1.743100      -1.487600    
 H   -6.046400       1.896600     -0.3181000    


%chk=000003791-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003791

0 1
O 2.574866 -2.499183 0.356598
O 0.473656 -2.525148 -1.203150
O -4.443062 1.307768 0.506884
C 1.649237 -1.393196 0.573116
C 2.315667 -0.051539 0.247791
C 0.385049 -1.627951 -0.301092
C -0.855017 -0.849189 -0.090411
C 2.658047 0.849048 1.284197
C 2.647173 0.275119 -1.091361
C -0.979939 0.155045 0.914939
C -1.978951 -1.127899 -0.915524
C -3.296500 0.558235 0.251766
C -2.183961 0.850895 1.085837
C -3.192600 -0.438530 -0.756620
C 3.318230 2.063891 0.990885
C 3.302518 1.489195 -1.386902
C 3.638931 2.388658 -0.346848
C -5.630645 1.061335 -0.322480
H 1.361009 -1.409221 1.642960
H 2.429033 0.589433 2.326127
H 2.398416 -0.423449 -1.898877
H -0.129709 0.405490 1.555716
H -1.874515 -1.902263 -1.682738
H -2.294455 1.625660 1.849889
H -4.040087 -0.676114 -1.405857
H 3.587491 2.749918 1.801837
H 3.554310 1.735032 -2.424769
H 4.150791 3.329768 -0.577038
H 2.237133 -2.980345 -0.456346
H -5.989266 0.021111 -0.206209
H -5.422380 1.270954 -1.388678
H -6.389469 1.761673 0.054259


