%chk=000040604.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040604

0 1
 O    1.713900     -0.8926000      -1.805800    
 O   0.9706000      -1.910200       1.647200    
 O   -2.955200      -1.192100     -0.2724000    
 O    2.837700       1.156200      0.3160000    
 O    1.306200       3.345000     -0.1708000    
 C    1.888800     -0.9437000     -0.3904000    
 C   0.7520000      -1.746800      0.2461000    
 C  -0.5722000      -1.061900      6.7800000E-02
 C    1.820600      0.5060000      7.3200002E-02
 C  -0.6553000      0.4085000      0.1261000    
 C   0.4685000       1.164100      0.1761000    
 C    3.264400      -1.551100     -0.1098000    
 C   -1.702800      -1.755700     -0.1487000    
 C   -2.010000      0.9767000      0.1305000    
 C   -3.076300      0.1801000     -7.4000001E-02
 C   0.4331000       2.637300      0.2974000    
 C   -4.483800      0.6804000     -0.1086000    
 H   0.7091000      -2.746700     -0.2059000    
 H    3.295400      -2.600200     -0.4247000    
 H    4.044300      -1.034000     -0.6815000    
 H    3.533200      -1.494500      0.9499000    
 H   -1.759700      -2.832600     -0.2237000    
 H   -2.162100       2.039900      0.2677000    
 H   0.8142000     -0.5918000      -2.013300    
 H    1.680900      -2.564100       1.760500    
 H  -0.4323000       3.070500      0.8203000    
 H   -5.077300      0.1927000      0.6713000    
 H   -4.939700      0.4590000      -1.078800    
 H   -4.541200       1.761900      5.1500000E-02


%chk=000040604-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040604

0 1
O 1.603199 -0.862232 -1.837911
O 0.907233 -2.038217 1.680036
O -3.018290 -1.221379 -0.011803
O 2.899117 1.004122 0.727298
O 1.442566 3.447291 0.056943
C 1.883943 -0.937487 -0.378246
C 0.731821 -1.783552 0.237454
C -0.591165 -1.055660 0.111362
C 1.856871 0.494279 0.234900
C -0.642560 0.406863 0.094547
C 0.538742 1.183127 0.170233
C 3.248365 -1.608072 -0.231882
C -1.745733 -1.787552 0.059147
C -1.985258 0.965883 -0.002697
C -3.113942 0.182150 -0.046635
C 0.479557 2.656835 0.254698
C -4.538566 0.634363 -0.140334
H 0.695875 -2.740349 -0.327197
H 3.224472 -2.619136 -0.675865
H 4.007467 -1.009773 -0.758577
H 3.565889 -1.662850 0.824823
H -1.798475 -2.876895 0.078366
H -2.134642 2.045281 -0.056444
H 1.103737 -0.026128 -2.032487
H 1.801283 -2.442560 1.825958
H -0.521424 3.078004 0.529152
H -5.121444 0.263774 0.722292
H -5.016670 0.236706 -1.053913
H -4.596969 1.733463 -0.160017


