%chk=000100828.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100828

0 1
 O    3.924000      -1.380400     -8.9699998E-02
 O   -3.083900      -2.737700     -1.3300000E-02
 O    2.580300      9.9999997E-05   2.222500    
 O   -2.318300     -0.9069000       2.249200    
 C    1.624400      -1.988700     -0.1690000    
 C  -0.7271000      -2.433400     -0.1438000    
 C   0.3482000      -1.618700      0.2107000    
 C    1.865800      -3.142900     -0.8898000    
 C  -0.5059000      -3.602800     -0.8715000    
 C    2.766000      -1.124600      0.2074000    
 C   -2.079000      -2.064000      0.2442000    
 C   0.7906000      -3.957600      -1.244300    
 C    2.273000       1.408500      0.3288000    
 C   -2.644000      0.4672000      0.3336000    
 C    2.538400      0.1431000      0.9945000    
 C   -2.352700     -0.8055000       1.031500    
 C    2.224900       1.467400      -1.063900    
 C    2.066900       2.563400       1.083200    
 C   -2.661800      0.4864000      -1.048100    
 C   -2.890000       1.602200       1.082600    
 C    1.970700       2.681200      -1.702400    
 C    1.812500       3.777300      0.4448000    
 C   -2.936000       1.685700      -1.705500    
 C   -3.164300       2.801500      0.4251000    
 C    1.764500       3.836100     -0.9480000    
 C   -3.187300       2.843200     -0.9689000    
 H   0.1781000     -0.7131000      0.7814000    
 H    2.868200      -3.434600      -1.188800    
 H   -1.329200      -4.251500      -1.158500    
 H   0.9628000      -4.868100      -1.811000    
 H    2.382800      0.5905000      -1.684600    
 H    2.099400       2.539900       2.169300    
 H   -2.473000     -0.3944000      -1.652700    
 H   -2.875400       1.588600       2.168400    
 H    1.933100       2.727500      -2.786900    
 H    1.651100       4.676600       1.032000    
 H   -2.953800       1.718700      -2.791000    
 H   -3.359300       3.703100      0.9984000    
 H    1.565900       4.781100      -1.445100    
 H   -3.400100       3.777000      -1.480700    


%chk=000100828-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100828

0 1
O 3.967551 -1.271391 -0.371280
O -3.174932 -2.704593 -0.341243
O 2.024691 0.321450 1.887148
O -1.979713 -0.474035 1.898432
C 1.620173 -1.841332 -0.227356
C -0.788733 -2.323713 -0.217797
C 0.290770 -1.452501 0.079810
C 1.863963 -3.115917 -0.811326
C -0.527204 -3.594831 -0.801972
C 2.797349 -0.945917 -0.006907
C -2.218398 -1.951118 0.012995
C 0.794249 -3.989464 -1.091144
C 3.178081 1.644180 0.214516
C -3.573873 0.287999 0.238750
C 2.612338 0.380825 0.764212
C -2.555222 -0.653118 0.781917
C 3.800992 1.714824 -1.063014
C 3.052143 2.825944 0.998973
C -4.180212 0.110789 -1.036336
C -3.918314 1.423038 1.026742
C 4.284580 2.949368 -1.544040
C 3.539235 4.054195 0.515963
C -5.111833 1.057026 -1.511682
C -4.851012 2.361982 0.549625
C 4.156584 4.118772 -0.758288
C -5.449958 2.181152 -0.722226
H 0.100406 -0.491522 0.563734
H 2.899818 -3.392311 -1.036215
H -1.378486 -4.249109 -1.019133
H 0.989082 -4.970905 -1.535172
H 3.921911 0.810732 -1.666120
H 2.568966 2.749884 1.978998
H -3.939063 -0.766885 -1.642377
H -3.439676 1.541194 2.004823
H 4.766546 3.000313 -2.526107
H 3.441959 4.959966 1.123918
H -5.579319 0.916495 -2.492004
H -5.114556 3.232108 1.160337
H 4.535995 5.075314 -1.134984
H -6.176380 2.912510 -1.094072


