%chk=000050215.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050215

0 1
 O    1.338200      -1.975800      0.3596000    
 O   -3.850800     -0.1451000      0.1230000    
 O    1.633200      -4.262500      0.2467000    
 O   -3.379700     -0.2461000      -2.132900    
 C    2.989800     -0.2754000     -8.4399998E-02
 C   -2.217700       1.609900      0.3872000    
 C    4.469300      5.1500000E-02 -0.3984000    
 C   -1.904500       3.122100      0.2886000    
 C    2.065200      0.3818000      -1.130900    
 C   -1.837600       1.077000       1.785000    
 C    4.688300       1.579300     -0.4011000    
 C  -0.4047000       3.373700      0.5524000    
 C    2.702800      -1.777300     -2.2900000E-02
 C   -3.682400       1.275900      9.5799997E-02
 C    5.452500     -0.6022000      0.5752000    
 C   -2.294200       3.733300      -1.059100    
 C    2.438400       1.795400      -1.458600    
 C  -0.5123000       1.573500       2.277000    
 C    3.613800       2.338600      -1.118100    
 C   0.1391000       2.598500       1.713500    
 C   -1.438300      -2.708200     -0.1754000    
 C   -2.918500      -2.844900      0.2026000    
 C  -0.5134000      -3.344700      0.8587000    
 C   -3.847200      -2.270300     -0.8676000    
 C   0.9389000      -3.276000      0.4554000    
 C   -3.668100     -0.7820000      -1.071600    
 H    2.735800      0.1563000      0.8951000    
 H   -1.590900       1.081800     -0.3461000    
 H    4.700800     -0.3267000      -1.404400    
 H   -2.478800       3.645300       1.066600    
 H    1.033700      0.3747000     -0.7586000    
 H    2.070600     -0.1953000      -2.064000    
 H   -1.805000     -1.8700000E-02   1.759200    
 H   -2.599300       1.356300       2.523500    
 H    5.652500       1.799200     -0.8755000    
 H    4.745000       1.958700      0.6268000    
 H  -0.2533000       4.443300      0.7425000    
 H   0.1811000       3.125200     -0.3371000    
 H    3.334100      -2.259500      0.7302000    
 H    2.885100      -2.247000     -0.9969000    
 H   -4.027500       1.679700     -0.8610000    
 H   -4.336800       1.697600      0.8670000    
 H    5.198400     -0.3665000       1.614000    
 H    5.464000      -1.690200      0.4614000    
 H    6.473400     -0.2510000      0.3889000    
 H   -1.859300       3.169200      -1.891000    
 H   -3.380100       3.757500      -1.189000    
 H   -1.941600       4.768000      -1.131500    
 H    1.717600       2.393100      -2.008400    
 H  -6.8300001E-02   1.065800       3.128300    
 H    3.813700       3.375000      -1.373600    
 H    1.108600       2.891700       2.105500    
 H   -1.264100      -3.176700      -1.152300    
 H   -1.181000      -1.648800     -0.2913000    
 H   -3.159100      -3.906600      0.3364000    
 H   -3.095700      -2.356400       1.167900    
 H  -0.7737000      -4.401400      0.9931000    
 H  -0.6224000      -2.862400       1.836800    
 H   -4.894900      -2.450800     -0.6016000    
 H   -3.668800      -2.769600      -1.826900    


%chk=000050215-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050215

0 1
O 1.171342 -2.013327 0.411462
O -3.642528 -0.063764 -0.040749
O 1.761661 -4.251803 0.680839
O -3.010287 -0.257925 -2.281178
C 2.643343 -0.184474 -0.223306
C -1.833615 1.583244 0.487545
C 4.104551 0.335553 -0.385656
C -1.458163 3.098025 0.536833
C 1.856622 -0.001091 -1.548709
C -1.676517 0.932716 1.888045
C 4.076237 1.852175 -0.716901
C 0.015414 3.259596 1.000592
C 2.608916 -1.647812 0.232089
C -3.260746 1.383750 -0.053088
C 4.996441 0.081319 0.852134
C -1.663060 3.827510 -0.811450
C 2.058966 1.370642 -2.161014
C -0.401365 1.346188 2.594961
C 3.050164 2.215905 -1.773446
C 0.370365 2.387507 2.188007
C -1.473340 -2.890343 -0.275204
C -2.983177 -2.946942 0.039065
C -0.615179 -3.559819 0.826834
C -3.840804 -2.237252 -1.044136
C 0.881505 -3.361536 0.634675
C -3.450101 -0.778309 -1.229736
H 2.150064 0.426443 0.562304
H -1.126778 1.090437 -0.213343
H 4.552141 -0.190073 -1.257101
H -2.106747 3.576042 1.303547
H 0.779228 -0.178933 -1.367887
H 2.167169 -0.783181 -2.276609
H -1.705402 -0.169692 1.787245
H -2.554451 1.194203 2.519182
H 5.084747 2.170439 -1.051406
H 3.875982 2.426744 0.214918
H 0.198667 4.324660 1.251013
H 0.694293 3.030368 0.149689
H 3.114849 -1.805559 1.200087
H 3.057657 -2.330953 -0.514780
H -3.364344 1.751205 -1.087322
H -4.008166 1.860653 0.605619
H 4.510986 0.460919 1.772486
H 5.219054 -0.990479 1.001296
H 5.964603 0.605653 0.744180
H -1.156951 3.282445 -1.631402
H -2.728686 3.937137 -1.081246
H -1.229745 4.844341 -0.767078
H 1.359562 1.674228 -2.952604
H -0.104840 0.758369 3.475044
H 3.134751 3.207817 -2.239319
H 1.294682 2.626705 2.733046
H -1.273002 -3.375815 -1.250744
H -1.152706 -1.837445 -0.374190
H -3.318042 -4.000013 0.117560
H -3.177872 -2.468784 1.018121
H -0.803071 -4.645822 0.881930
H -0.888195 -3.122737 1.808867
H -4.907105 -2.283030 -0.753922
H -3.725073 -2.735220 -2.021987


