%chk=000057879.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057879

0 1
 O    2.606200      0.4810000     -0.1083000    
 O   -3.613500     -1.1800000E-02  0.1002000    
 O   -3.214900      -2.011600     -0.9678000    
 C   0.3103000       1.117400     -0.2906000    
 C   0.9259000      -1.216200     -0.1819000    
 C    1.290600      0.1300000     -0.1930000    
 C   0.6811000       2.563700     -0.3039000    
 C    1.960900      -2.287600     -7.7399999E-02
 C   -1.034900      0.7586000     -0.3770000    
 C  -0.4193000      -1.575200     -0.2685000    
 C   0.7236000       3.164200       1.107500    
 C    2.260800      -2.663500       1.379700    
 C   -1.399600     -0.5877000     -0.3660000    
 C    1.134600       4.627900       1.089000    
 C    3.290300      -3.778100       1.477400    
 C   -2.801900     -0.9629000     -0.4552000    
 C    3.320200      0.6122000      -1.334900    
 C    4.747200       1.018400      -1.033700    
 C   -5.021900     -0.2679000      7.4600004E-02
 C   -5.745500      0.8890000      0.7300000    
 H    1.640300       2.731400     -0.8017000    
 H  -4.6200000E-02   3.119700     -0.9111000    
 H    1.612200      -3.179200     -0.6162000    
 H    2.890100      -2.007200     -0.5812000    
 H   -1.787200       1.539300     -0.4625000    
 H  -0.7014000      -2.625600     -0.2540000    
 H  -0.2602000       3.072900       1.583800    
 H    1.430500       2.604600       1.732300    
 H    1.339900      -2.983200       1.882700    
 H    2.630300      -1.786100       1.924400    
 H    1.153900       5.029500       2.106900    
 H   0.4303000       5.224800      0.5009000    
 H    2.133000       4.748900      0.6568000    
 H    3.484100      -4.024600       2.526000    
 H    4.237400      -3.477400       1.018000    
 H    2.936200      -4.683700      0.9748000    
 H    3.319100     -0.3341000      -1.885700    
 H    2.853400       1.367900      -1.975300    
 H    5.325700       1.128300      -1.955200    
 H    4.770100       1.966800     -0.4867000    
 H    5.233900      0.2715000     -0.3977000    
 H   -5.232700      -1.194800      0.6193000    
 H   -5.353300     -0.3731000     -0.9643000    
 H   -6.826900      0.7260000      0.7275000    
 H   -5.409400       1.017300       1.764200    
 H   -5.527500       1.825800      0.2067000    


%chk=000057879-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057879

0 1
O 2.586715 0.481897 -0.167799
O -3.816514 0.041406 -0.079264
O -3.322195 -2.236095 -0.084159
C 0.227162 1.144507 -0.144904
C 0.868777 -1.266803 -0.145180
C 1.210628 0.115205 -0.175775
C 0.625153 2.609480 -0.073189
C 1.938428 -2.343735 -0.067813
C -1.132605 0.762600 -0.116419
C -0.501306 -1.605748 -0.118652
C 1.044437 3.036081 1.362386
C 2.498122 -2.512409 1.373640
C -1.504071 -0.604763 -0.110155
C 1.448649 4.523291 1.435049
C 3.575832 -3.613273 1.455989
C -2.927222 -1.041508 -0.090634
C 3.195857 0.625671 -1.518887
C 4.665773 0.980257 -1.312040
C -5.265952 -0.313753 -0.056628
C -6.041453 0.999759 -0.048847
H 1.472813 2.821183 -0.751939
H -0.222362 3.240331 -0.404729
H 1.515872 -3.309417 -0.406520
H 2.787450 -2.107911 -0.736944
H -1.914952 1.527461 -0.096851
H -0.812422 -2.656427 -0.101122
H 0.205402 2.838353 2.057931
H 1.887851 2.397733 1.685558
H 1.661975 -2.750754 2.059744
H 2.918779 -1.543877 1.703159
H 1.742749 4.808120 2.461807
H 0.613691 5.181640 1.128034
H 2.306045 4.734768 0.768000
H 3.964726 -3.716010 2.485563
H 4.431925 -3.382011 0.793715
H 3.169413 -4.595726 1.149001
H 3.079166 -0.326284 -2.076148
H 2.659919 1.419475 -2.078782
H 5.170721 1.107324 -2.287020
H 4.760747 1.920705 -0.742317
H 5.182209 0.183006 -0.750156
H -5.460709 -0.926874 0.842102
H -5.487409 -0.932092 -0.945577
H -7.127217 0.792955 -0.032140
H -5.789154 1.601497 0.841130
H -5.815642 1.596364 -0.949320


