%chk=000017662.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017662

0 1
 O   -4.663800      0.9189000      6.0899999E-02
 O    5.854200     -0.4119000      0.6517000    
 C   -2.469700     -3.8400002E-02  0.5721000    
 C   -1.838100      0.7675000     -0.5955000    
 C  -0.2969000      0.8548000     -0.6442000    
 C   -3.907400     -0.2997000      1.4500000E-02
 C   0.4069000     -0.4841000     -0.3204000    
 C   -1.687900      -1.349900      0.8222000    
 C   -2.406900      0.1010000      -1.868900    
 C   -3.679200     -0.6454000      -1.461200    
 C  -0.1772000      -1.151800      0.9345000    
 C   0.2555000       1.976200      0.2452000    
 C   -2.531900      0.7817000       1.876100    
 C    1.919700     -0.3379000     -0.1959000    
 C    1.757100       2.154000      2.6300000E-02
 C   -4.718900      -1.371400      0.7388000    
 C    2.528600      0.8580000     -4.4000000E-02
 C    2.711300      -1.624500     -0.2816000    
 C    4.022300       1.023000      7.3500000E-02
 C    4.160100      -1.422900     -0.7001000    
 C    4.762500     -0.2971000      9.5899999E-02
 H   -2.236300       1.792500     -0.5798000    
 H  -2.6600000E-02   1.128900      -1.675900    
 H   0.2180000      -1.152900      -1.171600    
 H   -1.868500      -2.069200      1.4300000E-02
 H   -2.048600      -1.831500       1.739800    
 H   -1.701900     -0.6024000      -2.324800    
 H   -2.627000      0.8625000      -2.626100    
 H   -4.519500     -0.3455000      -2.097100    
 H   -3.524800      -1.721600      -1.602600    
 H   6.6200003E-02 -0.5725000       1.832400    
 H   0.2809000      -2.138100       1.081000    
 H   8.2800001E-02   1.762500       1.303400    
 H  -0.2508000       2.924400      2.8700000E-02
 H   -1.553300      0.9000000       2.344900    
 H   -2.931800       1.787200       1.706800    
 H   -3.172800      0.2911000       2.616500    
 H    2.148900       2.778300      0.8385000    
 H    1.924500       2.704700     -0.9080000    
 H   -5.712200      -1.473600      0.2862000    
 H   -4.237000      -2.352900      0.7080000    
 H   -4.886100      -1.098100       1.785700    
 H   -5.529800      0.7524000     -0.3491000    
 H    2.678800      -2.116500      0.6985000    
 H    2.243900      -2.307400      -1.000800    
 H    4.400400       1.605000     -0.7738000    
 H    4.259400       1.552000       1.003400    
 H    4.234900      -1.168000      -1.763300    
 H    4.733100      -2.340300     -0.5303000    


%chk=000017662-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017662

0 1
O -4.635253 0.981408 0.019694
O 6.035266 -0.403816 0.404145
C -2.501145 -0.032199 0.574691
C -1.840462 0.765912 -0.609494
C -0.289153 0.875002 -0.610674
C -3.928937 -0.335196 -0.014521
C 0.407446 -0.478218 -0.288283
C -1.725153 -1.362953 0.821593
C -2.389826 0.087425 -1.910921
C -3.659082 -0.713730 -1.497090
C -0.204027 -1.144655 0.978932
C 0.278761 1.993822 0.296412
C -2.600582 0.774872 1.890958
C 1.924412 -0.339694 -0.173239
C 1.786077 2.185490 0.028313
C -4.775122 -1.367898 0.747393
C 2.548771 0.867151 -0.030994
C 2.727061 -1.637751 -0.216938
C 4.060205 0.995454 0.106611
C 4.156866 -1.428411 -0.779712
C 4.862888 -0.298521 -0.045460
H -2.255399 1.791747 -0.565910
H 0.003352 1.150817 -1.649078
H 0.204643 -1.177315 -1.131702
H -1.886233 -2.065932 -0.021439
H -2.124295 -1.857836 1.728674
H -1.631364 -0.586012 -2.352769
H -2.617658 0.854467 -2.671917
H -4.537401 -0.475476 -2.126705
H -3.489882 -1.802681 -1.589778
H 0.010578 -0.517953 1.865558
H 0.288550 -2.119612 1.161384
H 0.128027 1.746868 1.363790
H -0.263709 2.941079 0.109962
H -1.606878 0.943095 2.340406
H -3.077113 1.752114 1.713429
H -3.211577 0.233158 2.638127
H 2.233607 2.832738 0.810869
H 1.933152 2.731803 -0.929634
H -5.748797 -1.518226 0.241034
H -4.276131 -2.351367 0.799490
H -4.979885 -1.021549 1.775786
H -5.506441 0.871503 -0.439906
H 2.796158 -2.085172 0.796546
H 2.197583 -2.383169 -0.842537
H 4.447328 1.715053 -0.650076
H 4.331839 1.445667 1.083381
H 4.072986 -1.137250 -1.847583
H 4.771046 -2.342954 -0.716017


