%chk=000127686.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127686

0 1
 O   0.2246000      -1.329900      0.2284000    
 O    2.478800      0.2646000      0.4852000    
 O    2.210900       2.426700       1.418500    
 O    3.186600      -2.976000       1.617800    
 O    2.509900      -4.625200     -0.6576000    
 O   -1.528200      -2.094600      -1.108300    
 O  -0.4093000      -4.693200      -1.050700    
 O    4.644800       3.131200     -4.3000001E-02
 O    2.007500       1.619900      -2.066100    
 O    2.268900       4.780200     -0.2831000    
 O   -5.987500       1.574600       1.522500    
 C    1.224000      -1.637800       1.201800    
 C    2.244900      -2.613400      0.6115000    
 C    1.552800      -3.872700      8.9400001E-02
 C   0.3680000      -3.520500     -0.8101000    
 C  -0.5344000      -2.473800     -0.1566000    
 C    1.875900     -0.3245000       1.622900    
 C    3.110500       1.500400      0.8036000    
 C    3.748000       2.101100     -0.4538000    
 C    2.702700       2.681300      -1.415600    
 C    1.675700       3.547100     -0.6828000    
 C    1.146000       2.848500      0.5657000    
 C   -2.434100      -1.152200     -0.7051000    
 C   -2.532300      5.1100001E-02  -1.396600    
 C   -3.250200      -1.404200      0.3931000    
 C   -3.456200       1.012000     -0.9859000    
 C   -4.174100     -0.4432000      0.8039000    
 C   -4.277100      0.7649000      0.1144000    
 C   -5.239900       1.767200      0.5429000    
 C   -5.357000       3.090300     -0.2061000    
 H   0.7453000      -2.072600       2.089400    
 H    2.801600      -2.158300     -0.2177000    
 H    1.229600      -4.515500      0.9174000    
 H   0.7296000      -3.168900      -1.784500    
 H   -1.023100      -2.913500      0.7229000    
 H    2.620500     -0.4862000       2.409800    
 H    1.094300      0.3354000       2.015800    
 H    3.902900       1.303800       1.536600    
 H    4.333700       1.326200     -0.9628000    
 H    3.198800       3.285400      -2.184600    
 H   0.8373000       3.781500      -1.348800    
 H   0.5265000       3.535200       1.152200    
 H   0.5216000       1.988100      0.3004000    
 H    3.779400      -2.218400       1.757000    
 H    3.254600      -4.820700     -6.3400000E-02
 H   -1.160900      -4.434400      -1.610900    
 H    5.071500       3.483900     -0.8423000    
 H    2.665600       1.090500      -2.548000    
 H    1.577000       5.317400      0.1390000    
 H   -1.893500      0.2479000      -2.253100    
 H   -3.197100      -2.346000      0.9312000    
 H   -3.502500       1.938200      -1.550200    
 H   -4.805200     -0.6605000       1.661600    
 H   -5.655200       2.913000      -1.242700    
 H   -4.413300       3.639400     -0.1536000    
 H   -6.130900       3.702500      0.2680000    


%chk=000127686-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127686

0 1
O 0.479722 -1.019269 0.277251
O 3.086880 0.152332 0.851942
O 2.203794 2.300816 1.541323
O 3.422977 -3.272923 0.930571
O 2.293247 -4.402074 -1.442337
O -1.338954 -1.328793 -1.190988
O -0.627872 -4.143471 -1.496593
O 4.886218 3.360586 0.479459
O 2.901285 1.064930 -1.777057
O 2.600549 4.514428 -0.437438
O -5.800359 2.094938 2.009404
C 1.510992 -1.680547 1.117763
C 2.369969 -2.564040 0.185653
C 1.505533 -3.663203 -0.462071
C 0.301902 -3.057670 -1.194477
C -0.427757 -2.020203 -0.310016
C 2.278476 -0.583808 1.843413
C 3.408220 1.547186 1.241754
C 4.232732 2.126306 0.063597
C 3.326365 2.333011 -1.182697
C 2.077486 3.172555 -0.799810
C 1.321002 2.516257 0.364275
C -2.387999 -0.563868 -0.639508
C -3.368351 -0.137930 -1.566253
C -2.484945 -0.216387 0.731583
C -4.460346 0.625759 -1.118391
C -3.586215 0.543462 1.163510
C -4.590222 0.974908 0.254666
C -5.737746 1.785305 0.781705
C -6.831252 2.229510 -0.185925
H 1.020414 -2.323995 1.883848
H 2.810171 -1.931557 -0.609147
H 1.138847 -4.340233 0.341754
H 0.656495 -2.545271 -2.111648
H -0.988362 -2.534756 0.503799
H 2.946650 -1.031591 2.605252
H 1.572866 0.111018 2.334393
H 3.985301 1.573009 2.183220
H 5.036273 1.412059 -0.182986
H 3.897279 2.866476 -1.959325
H 1.408401 3.245773 -1.679447
H 0.511469 3.160357 0.747795
H 0.884659 1.553731 0.033705
H 4.222656 -2.693193 0.990205
H 3.081580 -4.765066 -0.960637
H -1.255869 -3.834340 -2.196769
H 4.211790 4.094844 0.368387
H 2.710478 0.430256 -1.028475
H 1.878808 5.075575 -0.059551
H -3.257707 -0.416860 -2.618253
H -1.699891 -0.502766 1.435832
H -5.214811 0.945722 -1.844216
H -3.692258 0.830236 2.215193
H -7.314492 1.358939 -0.667451
H -6.417632 2.866169 -0.990368
H -7.590150 2.800660 0.369484


