%chk=000011683.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011683

0 1
 O   -3.158400     -6.5800004E-02   1.243200    
 O   -5.168600      0.4667000      -1.290900    
 O    6.587400      0.3167000       1.394800    
 O   -5.257900      -1.019600       1.103700    
 C   -1.701300      0.5277000     -0.6396000    
 C  -0.8569000     -0.7568000     -0.4267000    
 C   0.6001000     -0.5822000     -0.8796000    
 C    1.235800      0.5489000     -2.0400001E-02
 C   -3.084900      2.9000000E-03 -0.1780000    
 C   -1.074400       1.651100      0.2041000    
 C   -1.712300      -1.846500      -1.070300    
 C   0.4170000       1.859600     -0.1271000    
 C    2.774100      0.6838000     -0.3006000    
 C   -3.164400      -1.423000     -0.7671000    
 C   -1.771600      0.9824000      -2.125300    
 C    1.415200      -1.841900     -0.7797000    
 C    3.451600     -0.6748000     -1.2400000E-02
 C    3.362300       1.771700      0.6400000    
 C   -4.246600      0.8650000     -0.5698000    
 C    2.699500      -1.892700     -0.3771000    
 C    3.058600       1.081200      -1.768900    
 C    4.882000       1.811900      0.6469000    
 C    4.669500     -0.7506000      0.5588000    
 C   -4.259500       2.277600     -4.2900000E-02
 C    5.459900      0.4511000      0.9214000    
 C    3.395300      -3.231100     -0.3369000    
 C   -4.307600     -0.6022000       1.751600    
 C   -4.244000     -0.6108000       3.248900    
 H  -0.8286000     -0.9891000      0.6509000    
 H   0.6057000     -0.3053000      -1.938800    
 H    1.144700      0.2389000       1.034900    
 H   -1.155000       1.421200       1.273600    
 H   -1.591200       2.602900      5.0600000E-02
 H   -1.495000      -2.835100     -0.6524000    
 H   -1.546300      -1.902400      -2.152000    
 H   0.5184000       2.293100      -1.127100    
 H   0.8037000       2.605900      0.5751000    
 H   -3.736000      -1.468200      -1.700900    
 H   -3.589500      -2.172600     -9.4099998E-02
 H  -0.7864000       1.175400      -2.557000    
 H   -2.258000      0.2423000      -2.768400    
 H   -2.335900       1.914700      -2.228400    
 H   0.9255000      -2.762400      -1.088600    
 H    3.016100       1.591200       1.667400    
 H    2.999600       2.767000      0.3570000    
 H    4.133700       1.123600      -1.976400    
 H    2.640100      0.3682000      -2.485900    
 H    2.644900       2.067800      -2.002200    
 H    5.216200       2.494700       1.436100    
 H    5.281600       2.175200     -0.3049000    
 H    5.157300      -1.694000      0.7796000    
 H   -3.841300       2.337900      0.9640000    
 H   -3.718700       2.940300     -0.7200000    
 H   -5.297900       2.618700      1.8700000E-02
 H    3.667600      -3.496900      0.6902000    
 H    4.299000      -3.218900     -0.9559000    
 H    2.760700      -4.039400     -0.7179000    
 H   -4.146500      0.4122000       3.620600    
 H   -3.401700      -1.223300       3.579800    
 H   -5.166700      -1.040800       3.648800    


%chk=000011683-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000011683

0 1
O -3.096081 -0.030708 1.188324
O -4.819812 0.809170 -1.901714
O 6.653582 0.266344 1.514370
O -5.315934 -0.747290 1.301816
C -1.697235 0.570232 -0.731929
C -0.874579 -0.747011 -0.517611
C 0.611065 -0.572385 -0.909969
C 1.232650 0.553303 -0.031478
C -3.139370 0.047139 -0.319598
C -1.079871 1.694692 0.136992
C -1.731312 -1.835696 -1.204839
C 0.434998 1.877559 -0.168507
C 2.780972 0.676236 -0.277142
C -3.204093 -1.385702 -0.932403
C -1.746261 1.013339 -2.221236
C 1.407539 -1.849118 -0.783817
C 3.426918 -0.687491 0.055389
C 3.373730 1.773194 0.657243
C -4.284546 0.983077 -0.776106
C 2.695767 -1.918960 -0.314149
C 3.098609 1.015698 -1.767136
C 4.915551 1.784768 0.700638
C 4.682200 -0.761942 0.627736
C -4.680608 2.150327 0.116758
C 5.500220 0.404248 0.994154
C 3.386087 -3.266986 -0.176073
C -4.228005 -0.492678 1.867168
C -3.934427 -0.628936 3.344942
H -0.895988 -0.949953 0.574171
H 0.642790 -0.260893 -1.978532
H 1.116743 0.217267 1.024810
H -1.207303 1.438369 1.205146
H -1.598395 2.658230 -0.037329
H -1.534138 -2.842918 -0.798385
H -1.525145 -1.874390 -2.291223
H 0.564181 2.300667 -1.183674
H 0.833987 2.629639 0.536717
H -3.808661 -1.343084 -1.853669
H -3.727739 -2.064748 -0.240667
H -0.731642 1.155915 -2.627273
H -2.271191 0.289078 -2.865480
H -2.276905 1.976977 -2.321334
H 0.908578 -2.778412 -1.092344
H 2.988121 1.604111 1.683611
H 3.013282 2.767874 0.335192
H 4.186612 1.116232 -1.923030
H 2.745789 0.224160 -2.450734
H 2.623163 1.968755 -2.062936
H 5.293294 2.490886 1.461715
H 5.332747 2.125886 -0.268650
H 5.147970 -1.730852 0.840431
H -3.865270 2.467145 0.786752
H -5.013385 2.990589 -0.514417
H -5.538822 1.841169 0.742351
H 3.637249 -3.487979 0.878696
H 4.331598 -3.301801 -0.748735
H 2.733776 -4.077551 -0.542202
H -3.478888 0.296495 3.736275
H -3.210401 -1.446690 3.510779
H -4.863760 -0.851497 3.888645


