%chk=000028248.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028248

0 1
 O  -0.3634000      -1.216700      0.5681000    
 O   -1.834300      -2.063600      -1.002800    
 O    2.983600     -0.4256000      -2.143300    
 O    5.577200       1.053300     -0.4377000    
 C   -2.736800      0.9573000      0.1304000    
 C   -3.774500     -5.1899999E-02 -0.2651000    
 C   -2.602800     -0.4666000      0.5662000    
 C   -1.847100       1.481900     -0.9460000    
 C   -3.048700       1.963300       1.187900    
 C   -5.090300     -3.7599999E-02  0.3563000    
 C   -1.573100      -1.340100     -5.2499998E-02
 C   -6.168200      0.6806000     -1.3000000E-02
 C   0.6858000      -2.018500      4.1700002E-02
 C   -6.182400       1.625600      -1.181100    
 C   -7.465000      0.5809000      0.7409000    
 C    1.001700      -1.569800      -1.380000    
 C    1.955700      -1.785400      0.8145000    
 C    2.929900      -1.191500      0.1117000    
 C    2.376500     -0.9849000      -1.241500    
 C    2.019300      -2.220600       2.241700    
 C    4.303400     -0.7696000      0.4723000    
 C    4.567400      0.7168000      0.3763000    
 C    3.972200       1.773300      0.9611000    
 C    4.673800       2.900200      0.4705000    
 C    5.639900       2.409500     -0.3765000    
 H   -3.793100     -0.3729000      -1.302500    
 H   -2.775600     -0.6839000       1.616800    
 H   -2.252400       2.413100      -1.357300    
 H  -0.8480000       1.694900     -0.5503000    
 H   -1.733600      0.7865000      -1.784600    
 H   -3.647000       2.783200      0.7757000    
 H   -3.596700       1.542500       2.038000    
 H   -2.123600       2.393000       1.588500    
 H   -5.207400     -0.6995000       1.213400    
 H   0.4001000      -3.077100      7.5300001E-02
 H   -6.940000       1.315600      -1.908100    
 H   -6.421200       2.639300     -0.8426000    
 H   -5.222900       1.671500      -1.704300    
 H   -7.746200       1.560300       1.141700    
 H   -8.263700      0.2343000      7.7100001E-02
 H   -7.405500     -0.1175000       1.582200    
 H   0.3317000     -0.8043000      -1.779400    
 H    1.059000      -2.424600      -2.061200    
 H    1.259000      -1.698900       2.831700    
 H    2.989300      -2.020600       2.703600    
 H    1.833900      -3.297000       2.315400    
 H    5.010700      -1.302400     -0.1770000    
 H    4.554900      -1.079000       1.492800    
 H    3.142400       1.765100       1.652900    
 H    4.497300       3.940100      0.7048000    
 H    6.409200       2.869400     -0.9797000    


%chk=000028248-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028248

0 1
O -0.072178 0.093593 -1.064312
O -1.758060 -1.356004 -1.812574
O 4.483749 -0.367001 -2.200240
O 5.239614 -0.422402 2.777646
C -3.530079 1.317060 -1.829066
C -3.774091 0.551258 -0.520166
C -2.302078 0.881817 -0.964567
C -3.824019 0.595692 -3.143022
C -3.791251 2.822423 -1.885118
C -4.332129 1.165183 0.711533
C -1.418354 -0.241479 -1.338153
C -5.086329 0.540805 1.666057
C 0.964045 -0.945097 -1.375309
C -5.486510 -0.923545 1.634284
C -5.599287 1.311009 2.871664
C 1.992429 -0.401763 -2.385121
C 1.752639 -1.240937 -0.103773
C 3.098877 -1.046021 -0.294123
C 3.352751 -0.575527 -1.684801
C 1.048838 -1.695645 1.139877
C 4.230919 -1.260120 0.681175
C 4.266259 -0.221447 1.770915
C 3.571748 0.947641 2.036024
C 4.123463 1.512112 3.254438
C 5.126839 0.659658 3.674734
H -4.014475 -0.505977 -0.680706
H -1.793471 1.689460 -0.431254
H -4.895000 0.707241 -3.396745
H -3.233168 1.032445 -3.970570
H -3.588210 -0.479710 -3.086341
H -4.869379 3.017925 -2.037578
H -3.479968 3.345802 -0.964651
H -3.239544 3.273954 -2.730159
H -4.112673 2.232749 0.860304
H 0.420698 -1.838446 -1.738700
H -5.140063 -1.439081 2.551927
H -6.589986 -1.024334 1.615814
H -5.083015 -1.471920 0.768365
H -6.706352 1.282760 2.920202
H -5.231486 0.861499 3.815755
H -5.285237 2.369015 2.850656
H 1.812216 0.670341 -2.579907
H 1.981237 -0.924685 -3.356056
H 0.409141 -0.882307 1.533711
H 1.753168 -1.987390 1.935114
H 0.374554 -2.545714 0.920884
H 5.180792 -1.228117 0.111305
H 4.166775 -2.265969 1.141942
H 2.767336 1.360843 1.431085
H 3.812434 2.431599 3.746598
H 5.816271 0.648151 4.514000


