%chk=000109464.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000109464

0 1
 O   -1.133700       1.025800      -1.149700    
 O    1.016500      0.5013000     -0.3015000    
 C   -3.186400       2.116500      0.6658000    
 C    4.736800      0.3669000      0.3923000    
 C   -2.443200       2.896600     -0.4305000    
 C    3.221000      0.4549000      0.6328000    
 C   0.1493000      0.4524000      -1.437500    
 C   -1.039100       2.374400     -0.7106000    
 C    2.392300      0.3917000     -0.6447000    
 C  -6.7299999E-02 -0.9987000      -1.901000    
 C   -2.406500       2.196400       1.980300    
 C   -4.612000       2.627100      0.8793000    
 C    5.190500       1.527900     -0.4959000    
 C    5.534700      0.3722000       1.696900    
 C  -0.6698000      -1.892800     -0.8410000    
 C   0.1601000      -2.593600      3.4299999E-02
 C   -2.055500      -2.016700     -0.7377000    
 C  -0.3956000      -3.418400       1.012400    
 C   -2.611000      -2.841500      0.2405000    
 C   -1.780900      -3.542200       1.115600    
 H   -3.257700       1.061400      0.3732000    
 H    4.956400     -0.5727000     -0.1301000    
 H   -3.031800       2.831200      -1.354600    
 H   -2.384900       3.958300     -0.1618000    
 H    2.907600     -0.3621000       1.295900    
 H    2.976400       1.377500       1.175900    
 H   0.5842000       1.027300      -2.265900    
 H  -0.5890000       2.977100      -1.508400    
 H  -0.4007000       2.460900      0.1735000    
 H    2.642400       1.221900      -1.311800    
 H    2.587800     -0.5518000      -1.163300    
 H   0.8753000      -1.443200      -2.240600    
 H  -0.7330000      -1.001300      -2.774300    
 H   -2.197000       3.234400       2.260300    
 H   -1.457900       1.654300       1.922200    
 H   -2.978200       1.739500       2.796000    
 H   -4.613900       3.674400       1.200000    
 H   -5.129600       2.036300       1.642400    
 H   -5.189800       2.556000     -4.8200000E-02
 H    4.872800       2.493300     -8.7700002E-02
 H    4.801100       1.436400      -1.514100    
 H    6.283000       1.544300     -0.5801000    
 H    5.373300       1.300000       2.256200    
 H    6.607600      0.2751000       1.500300    
 H    5.234100     -0.4647000       2.335700    
 H    1.241000      -2.508700     -3.5500001E-02
 H   -2.713600      -1.475700      -1.412300    
 H   0.2507000      -3.964400       1.693600    
 H   -3.689800      -2.937500      0.3214000    
 H   -2.213500      -4.184100       1.877400    


%chk=000109464-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000109464

0 1
O -1.169874 0.900432 -1.358014
O 0.941316 0.423844 -0.426107
C -2.809777 1.995381 0.865230
C 4.634971 0.567199 0.587376
C -2.467891 2.745194 -0.450427
C 3.091486 0.721317 0.638441
C 0.106802 0.315849 -1.639528
C -1.123998 2.353947 -1.072942
C 2.388458 0.432384 -0.693160
C -0.127633 -1.152826 -2.062296
C -1.728517 2.197216 1.953354
C -4.198877 2.442004 1.378396
C 5.291957 1.549905 -0.413266
C 5.231616 0.755952 2.002433
C -0.834017 -1.998025 -1.014835
C -0.092967 -2.691211 -0.024898
C -2.248009 -2.102038 -0.999520
C -0.745671 -3.469506 0.957559
C -2.905671 -2.879412 -0.020028
C -2.156225 -3.567824 0.962466
H -2.849786 0.914770 0.625879
H 4.864002 -0.468371 0.253879
H -3.271737 2.561410 -1.191043
H -2.449508 3.839270 -0.257942
H 2.676180 0.026438 1.394147
H 2.831045 1.745980 0.971067
H 0.630101 0.871476 -2.460888
H -0.952082 2.901018 -2.025887
H -0.284199 2.558517 -0.383679
H 2.623845 1.205908 -1.456993
H 2.713461 -0.555136 -1.092382
H 0.861565 -1.587335 -2.303549
H -0.712570 -1.128474 -3.000595
H -1.575362 3.274230 2.167303
H -0.762139 1.756391 1.649581
H -2.033604 1.707047 2.896747
H -4.194025 3.517134 1.647201
H -4.491185 1.871493 2.279539
H -4.981389 2.288738 0.610736
H 5.030064 2.595573 -0.159107
H 4.970903 1.362616 -1.454372
H 6.393873 1.461860 -0.383989
H 5.030348 1.778272 2.376640
H 6.327480 0.608049 1.996659
H 4.793270 0.040472 2.722790
H 1.001008 -2.614468 -0.020287
H -2.832114 -1.558657 -1.750955
H -0.156737 -3.998380 1.715956
H -3.999709 -2.948580 -0.022591
H -2.664978 -4.173445 1.721300


