%chk=000003951.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003951

0 1
 O   -1.238500      3.6300000E-02  0.2700000    
 O    2.706100       2.813200     -0.2382000    
 O    3.048800      -1.633900       1.427800    
 O   0.3513000       3.620200     -0.9381000    
 O   -7.483400     -0.1515000     -0.2324000    
 C   -2.020700       1.239800      0.3189000    
 C   -1.588700       2.218600     -0.7713000    
 C   0.1091000      0.2715000      0.3623000    
 C   0.7083000       1.477700     -1.2400000E-02
 C   0.8987000     -0.7787000      0.8324000    
 C  -0.1310000       2.550600     -0.5848000    
 C    2.871000      0.6019000      0.6031000    
 C    2.089200       1.648600      0.1131000    
 C    2.278100     -0.6106000      0.9572000    
 C   -3.481000      0.8680000      0.1713000    
 C   0.2721000      -2.082600       1.214700    
 C    4.350200      0.7750000      0.7461000    
 C   -4.373500       1.124000       1.211500    
 C   -3.932100      0.2696000      -1.004800    
 C   0.1908000      -3.051200      6.2600002E-02
 C    5.107900      0.3713000     -0.4928000    
 C   -5.718700      0.7813000       1.075700    
 C   -5.277300     -7.2999999E-02  -1.140800    
 C  -0.9118000      -3.588500     -0.4935000    
 C   -6.170800      0.1829000     -0.1005000    
 C    6.345700     -0.1531000     -0.5746000    
 C  -0.9208000      -4.552600      -1.645700    
 C   -2.277800      -3.246400      3.9799999E-02
 C    7.044100     -0.5344000      -1.848900    
 C    7.154700     -0.3939000      0.6723000    
 H   -1.867500       1.696500       1.307900    
 H   -2.173900       3.142800     -0.7078000    
 H   -1.691900       1.801700      -1.779400    
 H   0.8679000      -2.565900       2.001000    
 H  -0.6800000      -1.903400       1.719100    
 H    4.594100       1.818500      0.9826000    
 H    4.692500      0.2336000       1.634600    
 H   -4.036600       1.589400       2.133900    
 H   -3.249600      5.0099999E-02  -1.821200    
 H    1.152900      -3.347100     -0.3552000    
 H    4.590000      0.5440000      -1.436300    
 H    3.597400       2.634800     -0.5779000    
 H    3.954100      -1.562800       1.086600    
 H   -6.409900      0.9829000       1.889600    
 H   -5.616200     -0.5418000      -2.060700    
 H   9.4099998E-02  -4.780400      -1.987800    
 H   -1.394400      -5.494700      -1.351800    
 H   -1.472300      -4.131300      -2.492300    
 H   -2.317400      -2.448700      0.7797000    
 H   -2.923100      -2.926700     -0.7865000    
 H   -2.729800      -4.136000      0.4919000    
 H    6.410200     -0.3574000      -2.724000    
 H    7.959600      5.2299999E-02  -1.974800    
 H    7.306800      -1.597000      -1.836000    
 H    6.792200      0.1424000       1.552200    
 H    7.177600      -1.463800      0.9034000    
 H    8.186600     -5.7700001E-02  0.5190000    
 H   -7.619400     -0.5544000      -1.107300    


%chk=000003951-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003951

0 1
O -1.284589 0.219542 0.328906
O 2.475876 3.250839 -0.438942
O 3.145240 -1.475752 0.712033
O -0.053764 4.019024 -0.941146
O -7.674036 -0.259418 0.443884
C -2.172613 1.414552 0.492573
C -1.840647 2.411731 -0.626049
C 0.088207 0.492397 0.224896
C 0.582395 1.792849 -0.140769
C 0.935811 -0.604607 0.497039
C -0.366294 2.847024 -0.578381
C 2.899382 0.898202 0.120929
C 2.006218 1.966264 -0.151791
C 2.329584 -0.375701 0.418750
C -3.603683 0.925150 0.484472
C 0.392160 -1.983949 0.848790
C 4.416439 1.088594 0.177044
C -4.526718 1.395717 1.451181
C -4.059612 0.028755 -0.512955
C 0.411388 -2.929434 -0.345969
C 5.206528 0.016502 -0.567719
C -5.878627 0.999569 1.422310
C -5.405944 -0.387125 -0.548141
C -0.650700 -3.539317 -0.945837
C -6.316817 0.106030 0.419050
C 6.353271 -0.611681 -0.159159
C -0.438682 -4.477114 -2.125890
C -2.099966 -3.371315 -0.522455
C 7.048878 -1.612857 -1.066166
C 7.035923 -0.381612 1.177660
H -1.929170 1.869313 1.476026
H -2.472000 3.313416 -0.552133
H -2.046190 1.940060 -1.607942
H 1.032025 -2.415699 1.642071
H -0.625855 -1.876430 1.253285
H 4.707588 2.062435 -0.274626
H 4.745554 1.151536 1.232686
H -4.187889 2.081180 2.237489
H -3.349676 -0.363465 -1.248743
H 1.417083 -3.129470 -0.744333
H 4.823378 -0.211494 -1.573638
H 3.467096 3.258388 -0.467580
H 4.092207 -1.284911 0.439143
H -6.598061 1.359824 2.163139
H -5.744229 -1.090556 -1.320387
H 0.631300 -4.589772 -2.373660
H -0.850371 -5.484508 -1.913431
H -0.964073 -4.105632 -3.029022
H -2.243599 -2.563348 0.211717
H -2.734153 -3.143938 -1.403114
H -2.493428 -4.311930 -0.086321
H 6.512962 -1.749646 -2.020543
H 8.080085 -1.279360 -1.295495
H 7.139255 -2.600628 -0.573540
H 6.460939 0.260779 1.863596
H 7.228028 -1.344757 1.688348
H 8.024381 0.093858 1.021985
H -7.883797 -0.888101 -0.290624


