%chk=000041695.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041695

0 1
 O   -1.210900       1.292700     -6.7400001E-02
 O   0.6956000      -1.441200      0.4199000    
 O   -3.420400       1.769500      0.3907000    
 O  -0.4368000      -2.344900      -1.374800    
 C   -2.926100      -1.449800     -0.1289000    
 C   -2.820200     -0.1600000     -0.9651000    
 C   -1.623800      -1.705500      0.6515000    
 C   -4.098200      -1.359000      0.8559000    
 C   -2.557700       1.071700     -0.1244000    
 C  -0.4162000      -1.872700     -0.2464000    
 C   0.7110000       2.552300      0.6343000    
 C    3.060000      -1.046000      0.5820000    
 C  -0.8073000       2.452300      0.6681000    
 C    1.929600      -1.567200     -0.2940000    
 C    1.235300       2.687700     -0.7924000    
 C    4.408900      -1.135900     -0.1259000    
 C    2.748500       2.830700     -0.8188000    
 C    5.528800     -0.5747000      0.7357000    
 H   -3.111500      -2.285500     -0.8152000    
 H   -2.048600     -0.2395000      -1.739400    
 H   -3.756600      1.2900000E-02  -1.510300    
 H   -1.715700      -2.632400       1.231000    
 H   -1.438600     -0.8984000       1.369500    
 H   -4.239800      -2.318200       1.365700    
 H   -5.030000      -1.121600      0.3318000    
 H   -3.933700     -0.5992000       1.626500    
 H    1.140800       1.652800       1.089400    
 H    1.029600       3.412100       1.234700    
 H    3.085900      -1.619600       1.517200    
 H    2.849600     -1.2500000E-02  0.8771000    
 H   -1.258300       3.346400      0.2222000    
 H   -1.144900       2.357700       1.706500    
 H    2.099300      -2.621500     -0.5417000    
 H    1.870700     -0.9821000      -1.219200    
 H   0.7844000       3.563200      -1.273900    
 H   0.9549000       1.810500      -1.386900    
 H    4.371600     -0.5799000      -1.070000    
 H    4.631300      -2.180400     -0.3728000    
 H    3.067400       3.720900     -0.2674000    
 H    3.237900       1.959800     -0.3751000    
 H    3.101200       2.927300      -1.850500    
 H    5.352200      0.4800000      0.9704000    
 H    5.613800      -1.127000       1.677000    
 H    6.485700     -0.6499000      0.2098000    


%chk=000041695-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041695

0 1
O -1.347019 1.422966 -0.225790
O 0.761696 -1.448139 0.468903
O -3.536448 1.764124 0.497204
O -0.418759 -2.058588 -1.443156
C -2.962302 -1.460971 -0.071298
C -2.986174 -0.169229 -0.955622
C -1.621648 -1.642346 0.683372
C -4.145642 -1.504457 0.921616
C -2.707511 1.094189 -0.164270
C -0.410948 -1.739185 -0.230626
C 0.625570 2.621409 0.535019
C 3.172218 -1.155996 0.630781
C -0.903449 2.610442 0.567660
C 2.030573 -1.521371 -0.317521
C 1.216348 2.837433 -0.877082
C 4.541111 -1.166716 -0.090329
C 2.759881 2.843869 -0.879438
C 5.703980 -0.779980 0.848040
H -3.059072 -2.303381 -0.784062
H -2.237971 -0.273004 -1.758033
H -3.989889 -0.075329 -1.405504
H -1.666888 -2.580203 1.273587
H -1.449979 -0.830811 1.412509
H -4.139397 -2.447369 1.499806
H -5.110061 -1.439560 0.386469
H -4.107141 -0.660844 1.634244
H 0.996167 1.665479 0.955122
H 0.974130 3.429011 1.211371
H 3.188200 -1.867513 1.478721
H 2.983146 -0.152039 1.058754
H -1.341211 3.514929 0.104686
H -1.305696 2.516064 1.592789
H 2.133966 -2.544236 -0.725557
H 1.951427 -0.818810 -1.168456
H 0.841444 3.798187 -1.285706
H 0.840057 2.042508 -1.548295
H 4.511222 -0.465474 -0.949478
H 4.726931 -2.173574 -0.516085
H 3.158243 3.646356 -0.229781
H 3.162329 1.882123 -0.507023
H 3.159404 3.004383 -1.897416
H 5.561604 0.238144 1.256583
H 5.773696 -1.478022 1.703292
H 6.672563 -0.798567 0.316400


