%chk=000005881.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005881

0 1
 O    5.045600       1.038700     -0.6602000    
 O   -5.877900     -8.8299997E-02 -0.2858000    
 C  -0.1476000      0.4493000     -0.2872000    
 C   0.6423000     -0.7776000      0.2602000    
 C    2.078400     -0.7229000     -0.2660000    
 C    2.803700      0.5675000      0.1592000    
 C   -1.631600      0.4701000      0.2571000    
 C   0.6160000       1.792400     -0.1066000    
 C    2.097300       1.735700     -0.5206000    
 C    3.055000      -1.838300      9.0400003E-02
 C  -4.8500001E-02  -2.081800     -0.1630000    
 C   -2.259600     -0.9288000      0.1789000    
 C   -2.460600       1.452500     -0.6230000    
 C    4.189300      0.2195000     -0.3547000    
 C    4.396900      -1.284900     -0.4117000    
 C   -1.536600      -2.044400     -2.2200000E-02
 C    2.939400      0.7926000       1.676000    
 C   -1.684300      0.9351000       1.732200    
 C   -3.760200      -1.020700      0.3328000    
 C   -3.970200       1.378500     -0.3990000    
 C   -4.486800     -4.4300001E-02 -0.5868000    
 H  -0.2108000      0.3002000      -1.377800    
 H   0.6565000     -0.7470000       1.355700    
 H    2.008800     -0.7343000      -1.368000    
 H   0.5695000       2.120200      0.9360000    
 H   0.1289000       2.576800     -0.6968000    
 H    2.166600       1.641600      -1.612200    
 H    2.587300       2.684300     -0.2692000    
 H    2.811100      -2.785300     -0.4011000    
 H    3.083500      -2.020800       1.170200    
 H   0.3417000      -2.906600      0.4456000    
 H   0.1845000      -2.321400      -1.208000    
 H   -2.268300       1.245600      -1.684700    
 H   -2.139000       2.486100     -0.4475000    
 H    4.579400      -1.577000      -1.449800    
 H    5.224600      -1.591700      0.2312000    
 H   -2.041000      -3.005400     -8.8900000E-02
 H    1.973800      0.8549000       2.184600    
 H    3.516300      3.9999999E-04   2.165500    
 H    3.474200       1.729700       1.873100    
 H   -2.690800      0.8591000       2.157000    
 H   -1.026900      0.3366000       2.371200    
 H   -1.390300       1.984400       1.836700    
 H   -4.123700      -2.036600      0.1298000    
 H   -4.036000     -0.8273000       1.377200    
 H   -4.232300       1.747600      0.6002000    
 H   -4.483200       2.049100      -1.099400    
 H   -4.361600     -0.3443000      -1.634400    
 H   -6.181700      -1.000300     -0.4328000    


%chk=000005881-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005881

0 1
O 5.107256 1.122420 -0.720781
O -5.975470 0.030099 -0.280655
C -0.154780 0.416998 -0.284894
C 0.640552 -0.813868 0.265055
C 2.090684 -0.747029 -0.249681
C 2.820800 0.574536 0.124684
C -1.636002 0.458046 0.257276
C 0.597195 1.768924 -0.085162
C 2.082257 1.752177 -0.541320
C 3.106524 -1.863247 0.114943
C -0.045613 -2.124268 -0.185552
C -2.275609 -0.942686 0.163126
C -2.467322 1.439379 -0.642264
C 4.250170 0.276894 -0.369078
C 4.461339 -1.256129 -0.351601
C -1.551463 -2.074889 -0.050463
C 2.969804 0.800580 1.663875
C -1.692587 0.933280 1.743437
C -3.789930 -1.014064 0.333497
C -3.991279 1.399130 -0.393301
C -4.533432 -0.019952 -0.589569
H -0.234714 0.249714 -1.384498
H 0.639207 -0.786224 1.374440
H 2.019629 -0.745168 -1.364130
H 0.559184 2.062965 0.980244
H 0.069213 2.566337 -0.641444
H 2.138678 1.639505 -1.642946
H 2.567057 2.715302 -0.293849
H 2.884186 -2.820558 -0.387120
H 3.109601 -2.056135 1.204312
H 0.350961 -2.980492 0.396874
H 0.223497 -2.335139 -1.245319
H -2.271498 1.187979 -1.705628
H -2.105214 2.472887 -0.486881
H 4.717129 -1.573345 -1.381388
H 5.328118 -1.519022 0.281114
H -2.083969 -3.035144 -0.128641
H 1.988066 0.912182 2.153163
H 3.498687 -0.031724 2.162249
H 3.550732 1.723325 1.841765
H -2.698414 0.790800 2.174156
H -0.984523 0.360828 2.369439
H -1.448665 2.007328 1.835905
H -4.135524 -2.049630 0.141837
H -4.084539 -0.764483 1.373843
H -4.237407 1.727983 0.634357
H -4.509835 2.089525 -1.083870
H -4.383476 -0.329423 -1.649034
H -6.358160 -0.878001 -0.387126


