%chk=000158110.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158110

0 1
 I   -2.968600       2.589100      0.9056000    
 O  -0.8447000     -0.5090000      0.3087000    
 O   0.5481000     -0.8498000       2.120000    
 C    1.986400      0.7998000     -0.4552000    
 C    2.792400     -0.1187000      0.3981000    
 C    1.442500     -0.5448000     -7.0400000E-02
 C    1.436700       2.020300      0.2037000    
 C    2.345900       1.008200      -1.888700    
 C    3.968500     -0.8034000     -0.1716000    
 C   0.3620000     -0.6555000      0.9264000    
 C    5.231100     -0.3416000     -0.2541000    
 C    6.324100      -1.170900     -0.8687000    
 C    5.661200       1.008600      0.2453000    
 C   -1.988200     -0.5957000       1.165000    
 C   -3.230400     -0.4156000      0.3427000    
 C   -3.796100      0.8361000      0.1184000    
 C   -3.812000      -1.558700     -0.1996000    
 C   -4.952300      0.9463000     -0.6541000    
 C   -4.968200      -1.448500     -0.9721000    
 C   -5.538400     -0.1960000      -1.199300    
 H    2.909000      0.1304000       1.448400    
 H    1.392100      -1.299800     -0.8507000    
 H    1.249500       1.886900       1.274700    
 H    2.139000       2.855400      0.1037000    
 H   0.4934000       2.317600     -0.2660000    
 H    3.179200       1.713500      -1.978700    
 H    2.631800      8.3099999E-02  -2.401100    
 H    1.494100       1.424400      -2.438200    
 H    3.777700      -1.804700     -0.5555000    
 H    6.757100     -0.6493000      -1.728500    
 H    7.117700      -1.354200     -0.1371000    
 H    5.962600      -2.143800      -1.218000    
 H    6.435300      0.8986000       1.011800    
 H    6.071000       1.602000     -0.5786000    
 H    4.840000       1.581200      0.6860000    
 H   -1.913600      0.1155000       1.993200    
 H   -2.001100      -1.591500       1.628800    
 H   -3.378400      -2.541600     -3.4899998E-02
 H   -5.415400       1.911000     -0.8456000    
 H   -5.424100      -2.337800      -1.397500    
 H   -6.438600     -0.1105000      -1.801100    


%chk=000158110-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158110

0 1
I -2.966985 2.341949 0.209731
O -0.700564 -0.488871 0.178697
O 0.522697 0.667895 1.807648
C 2.112608 1.749927 -0.760944
C 2.906403 0.619209 -0.085126
C 1.402251 0.389315 -0.465823
C 1.759662 2.976762 0.077308
C 2.341101 2.064468 -2.239017
C 3.973658 -0.164017 -0.758627
C 0.419635 0.238771 0.629986
C 5.043673 -0.770849 -0.161822
C 6.062658 -1.533922 -0.992385
C 5.328207 -0.755466 1.329563
C -1.789025 -0.713599 1.184321
C -3.103658 -0.782395 0.447079
C -3.783388 0.359691 -0.054464
C -3.713731 -2.048592 0.239597
C -5.013387 0.249270 -0.738371
C -4.944330 -2.178170 -0.437487
C -5.595093 -1.025341 -0.929115
H 3.028411 0.767539 0.994139
H 1.194933 -0.232876 -1.340707
H 1.576863 2.714958 1.132453
H 2.586385 3.710691 0.033785
H 0.847468 3.465494 -0.316161
H 3.218518 2.727789 -2.360011
H 2.514617 1.160609 -2.848170
H 1.459050 2.584770 -2.656269
H 3.884070 -0.261235 -1.850797
H 7.078049 -1.106477 -0.868373
H 6.125304 -2.592715 -0.669860
H 5.814034 -1.517606 -2.067822
H 5.381185 -1.790027 1.723458
H 6.313702 -0.291059 1.533643
H 4.570047 -0.212571 1.915719
H -1.746047 0.105076 1.924785
H -1.572276 -1.668871 1.693802
H -3.200803 -2.941745 0.615737
H -5.516941 1.143857 -1.115734
H -5.389767 -3.167985 -0.581486
H -6.550893 -1.107053 -1.457679


