%chk=000006758.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006758

0 1
 O  -0.7703000     -0.6467000      -1.296100    
 O    1.664800      -2.038800      -1.732700    
 O   -4.475000      0.5686000       1.248000    
 O   0.8178000       3.133000      -1.096800    
 O    4.701900       1.111800       1.627900    
 O    5.017600      -1.647900       1.567300    
 C    1.145900      0.8464000      -1.770600    
 C   0.1501000     -0.1891000      -2.297100    
 C   -1.408900      0.3542000     -0.6288000    
 C    2.172300      0.1970000     -0.8706000    
 C   0.3805000       1.987400      -1.136100    
 C   0.9228000      -1.409700      -2.783300    
 C   -2.598500      4.9400002E-02  9.8000001E-03
 C  -0.9230000       1.659400     -0.5264000    
 C   -3.363100      -1.219700      4.0600002E-02
 C   -4.373700     -0.8760000       1.146100    
 C   -3.304800       1.025100      0.6968000    
 C    2.372200      -1.191800     -0.9188000    
 C   -1.646600       2.647200      0.1684000    
 C    2.985500      0.9577000     -1.6200000E-02
 C   -2.859700       2.329900      0.7822000    
 C   -5.729700      -1.444300      0.8920000    
 C    3.316700      -1.805400     -8.9500003E-02
 C    3.936100      0.3442000      0.8026000    
 C    4.097000      -1.037400      0.7708000    
 C   -6.654000     -0.6041000      6.1600000E-02
 C   -6.100500      -2.638300       1.377700    
 C    4.197700       1.354400       2.939600    
 C    6.329000      -1.816100       1.031600    
 H    1.684700       1.260300      -2.634600    
 H  -0.4337000      0.2258000      -3.130100    
 H   0.2244000      -2.164300      -3.161500    
 H    1.609700      -1.153800      -3.599200    
 H   -3.835900      -1.397400     -0.9315000    
 H   -2.750200      -2.083700      0.3142000    
 H   -3.991800      -1.225500       2.116700    
 H   -1.273300       3.665100      0.2444000    
 H    2.888000       2.039600      1.9099999E-02
 H   -3.424000       3.085200       1.317500    
 H    3.448700      -2.884500     -0.1215000    
 H   -6.932900      0.3125000      0.5911000    
 H   -6.183800     -0.3331000     -0.8893000    
 H   -7.581500      -1.136600     -0.1765000    
 H   -7.088700      -3.043600       1.188300    
 H   -5.421600      -3.237800       1.975200    
 H    3.244300       1.890000       2.890900    
 H    4.920800       1.975400       3.475200    
 H    4.072800      0.4135000       3.484800    
 H    6.775200     -0.8456000      0.7928000    
 H    6.299800      -2.446900      0.1376000    
 H    6.947000      -2.308600       1.787300    


%chk=000006758-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000006758

0 1
O -0.862394 -0.649542 -1.529924
O 1.632444 -2.079020 -1.965698
O -4.258027 0.465466 1.558489
O 0.854412 3.191097 -1.316721
O 4.570018 1.155711 1.612325
O 4.934721 -1.746048 1.500126
C 1.110215 0.857722 -1.993986
C 0.118227 -0.182891 -2.550381
C -1.415463 0.334938 -0.707704
C 2.128132 0.193291 -1.056584
C 0.363553 2.020248 -1.305453
C 0.841831 -1.440271 -3.028277
C -2.540035 -0.019654 0.049408
C -0.883958 1.662898 -0.611353
C -3.320112 -1.316078 0.129451
C -4.348323 -1.038306 1.280619
C -3.146981 0.951523 0.874386
C 2.332429 -1.212595 -1.098232
C -1.543549 2.614218 0.222022
C 2.895204 0.949754 -0.139263
C -2.680624 2.284095 0.974846
C -5.791858 -1.392183 0.981409
C 3.273182 -1.837621 -0.251700
C 3.826551 0.340636 0.720655
C 4.030813 -1.070080 0.651259
C -6.477592 -0.606346 -0.117555
C -6.402484 -2.380467 1.685629
C 4.212039 0.960483 3.036602
C 6.352119 -1.333197 1.360576
H 1.646804 1.305377 -2.854229
H -0.463879 0.258676 -3.385465
H 0.123937 -2.212063 -3.347114
H 1.506795 -1.176073 -3.875575
H -3.826582 -1.545565 -0.826373
H -2.681316 -2.181529 0.373104
H -4.024253 -1.521726 2.219476
H -1.110773 3.619109 0.268175
H 2.764571 2.035032 -0.076689
H -3.183129 3.007527 1.620785
H 3.425480 -2.918639 -0.305970
H -6.523630 0.464238 0.154345
H -5.925125 -0.669140 -1.074939
H -7.504379 -0.969415 -0.289449
H -7.430621 -2.689306 1.467332
H -5.891854 -2.910526 2.498987
H 3.156594 1.246637 3.206504
H 4.877576 1.629768 3.603166
H 4.369476 -0.090500 3.342160
H 6.463176 -0.245414 1.514107
H 6.728497 -1.613254 0.358332
H 6.896244 -1.894593 2.135261


