%chk=000080316.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080316

0 1
 O    2.303400     -0.3058000      4.3200001E-02
 O   -3.793500      0.8774000     -0.3423000    
 O   -3.323800      -1.801900     -0.8599000    
 O   -1.708100       2.500200      0.4871000    
 O    1.566400      -2.414800      0.5987000    
 C    4.567900      0.4513000     -0.1360000    
 C    6.040500      6.4199999E-02 -3.4299999E-02
 C    3.654500     -0.7273000      0.1694000    
 C  -7.8999996E-03 -0.6891000      0.1205000    
 C    6.948900       1.232600     -0.3820000    
 C   -2.541800      0.3593000     -0.1885000    
 C   -2.308700     -0.9908000     -0.4507000    
 C   -1.493800       1.179600      0.2298000    
 C   -1.027900      -1.520700     -0.2943000    
 C  -0.2131000      0.6495000      0.3860000    
 C    1.355400      -1.253100      0.2864000    
 C   -4.402800       1.450600      0.8121000    
 C   -4.070600      -2.468400      0.1561000    
 C   -1.545000       3.407300     -0.6014000    
 H    4.343700      0.8313000      -1.140800    
 H    4.342600       1.275300      0.5526000    
 H    6.254600     -0.7696000     -0.7131000    
 H    6.266000     -0.2786000      0.9822000    
 H    3.848200      -1.544800     -0.5351000    
 H    3.831900      -1.084400       1.190800    
 H    7.998700      0.9336000     -0.3013000    
 H    6.782200       2.074700      0.2973000    
 H    6.771500       1.576500      -1.406100    
 H  -0.8508000      -2.572100     -0.5036000    
 H   0.5878000       1.300400      0.7258000    
 H   -4.257400       2.534300      0.8140000    
 H   -5.477700       1.254000      0.7576000    
 H   -4.023300       1.012900       1.742200    
 H   -4.552500      -1.744200      0.8202000    
 H   -4.845900      -3.069100     -0.3272000    
 H   -3.421700      -3.134000      0.7341000    
 H   -1.764400       4.416300     -0.2419000    
 H  -0.5143000       3.382700     -0.9691000    
 H   -2.239500       3.166100      -1.412300    


%chk=000080316-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080316

0 1
O 2.505937 -0.313629 -0.025044
O -3.844475 0.711896 0.021132
O -3.228421 -2.188527 -0.280352
O -1.634559 2.505668 0.251367
O 1.811498 -2.528315 -0.237707
C 4.808836 0.456721 -0.004652
C 6.312010 0.090506 -0.041730
C 3.920236 -0.785506 -0.067913
C 0.149048 -0.744431 -0.072178
C 7.220229 1.337755 0.011651
C -2.521375 0.217110 0.027527
C -2.271798 -1.180598 -0.130187
C -1.410619 1.112912 0.106249
C -0.934785 -1.641413 -0.181945
C -0.088051 0.646400 0.072406
C 1.528101 -1.309177 -0.121404
C -4.271048 1.396331 1.267502
C -4.625835 -2.000426 0.146198
C -2.161303 3.163042 -0.968015
H 4.564669 1.122292 -0.855045
H 4.583487 1.020451 0.921171
H 6.529478 -0.486612 -0.963373
H 6.550977 -0.578511 0.809725
H 4.070550 -1.362725 -0.999353
H 4.089063 -1.466378 0.787417
H 8.289275 1.058795 -0.014785
H 7.043698 1.916818 0.937405
H 7.023191 2.007658 -0.846165
H -0.747895 -2.712908 -0.296058
H 0.739468 1.354703 0.145848
H -3.577918 2.218405 1.514328
H -5.278579 1.785723 1.056123
H -4.312895 0.670077 2.102201
H -5.145334 -1.267029 -0.489591
H -5.075004 -3.000142 0.040206
H -4.679779 -1.678588 1.203659
H -2.291545 4.222115 -0.697983
H -1.431067 3.072207 -1.794323
H -3.127768 2.718731 -1.268111


