%chk=000086243.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086243

0 1
 S    1.782200      -2.737800       1.027800    
 S    5.996900     -8.6300001E-02  -1.169000    
 S   -6.413100     -0.9474000     -0.4766000    
 O    1.838200       3.420100      0.2629000    
 O   -2.451700       1.833700       2.389400    
 O   0.5592000      -2.988500     -2.8500000E-02
 O    2.749800      -3.805100      0.8166000    
 O    1.202800      -2.512900       2.343200    
 O    7.032700      7.0000000E-02  8.5900001E-02
 O    6.203600      -1.413900      -1.728000    
 O    6.116700       1.098100      -2.004400    
 O   -6.106900      -2.494700     -4.6700001E-02
 O   -7.086800     -0.3188000      0.6500000    
 O   -7.025200     -0.9575000      -1.795800    
 C   0.3433000       1.746300       1.241900    
 C  -0.9142000       2.199300      0.5194000    
 C   0.5023000      0.2083000       1.254100    
 C   -1.006900       1.644900     -0.9212000    
 C    1.866400     -2.2600001E-02  0.6857000    
 C    1.591400       2.262100      0.5480000    
 C   -2.163300       1.688500       1.215200    
 C    2.486300       1.149400      0.2717000    
 C   -2.343200      0.9747000     -0.9695000    
 C   -3.001200      0.9894000      0.2536000    
 C    2.517800      -1.235700      0.5309000    
 C    3.745100       1.175000     -0.2998000    
 C   -2.937100      0.3624000      -2.061400    
 C   -4.243300      0.4141000      0.4483000    
 C    4.403000     -4.5000002E-02 -0.4546000    
 C    3.794200      -1.242300     -4.1900001E-02
 C   -4.843300     -0.2011000     -0.6502000    
 C   -4.195500     -0.2266000      -1.896800    
 H   0.3536000       2.120500       2.273700    
 H  -0.9705000       3.294900      0.4888000    
 H  -0.2562000     -0.3342000      0.6853000    
 H   0.4556000     -0.1304000       2.294400    
 H  -0.2166000      0.9421000      -1.196700    
 H  -0.9816000       2.474400      -1.637500    
 H    4.194100       2.114200     -0.6029000    
 H   -2.440100      0.3334000      -3.025300    
 H   -4.718500      0.4420000       1.422400    
 H    4.329200      -2.179400     -0.1682000    
 H   -4.653300     -0.7126000      -2.754400    
 H   0.8277000      -3.073700     -0.9735000    
 H    6.992500     -0.6492000      0.7593000    
 H   -5.629400      -2.609300      0.8085000    


%chk=000086243-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086243

0 1
S 2.443048 -3.016547 1.103154
S 6.532385 0.214996 -0.967798
S -7.095676 -0.345148 -0.302783
O 1.665136 3.282309 -0.017216
O -2.244460 1.397599 2.459260
O 1.241907 -3.188128 -0.308411
O 3.658333 -4.066811 0.944060
O 1.596832 -2.938304 2.478467
O 7.265231 0.596176 0.689265
O 7.050741 -1.232411 -1.464747
O 6.643430 1.518682 -1.914837
O -6.719533 -2.142939 -0.028874
O -7.644193 0.289450 1.078879
O -7.931214 -0.189153 -1.678923
C 0.383604 1.410552 1.032313
C -0.948529 1.824988 0.369640
C 0.711375 -0.110273 1.087293
C -1.226165 1.336620 -1.083366
C 2.160461 -0.206879 0.643182
C 1.595859 2.085824 0.356703
C -2.172479 1.373713 1.204722
C 2.665898 1.050071 0.218269
C -2.690376 0.917273 -1.073606
C -3.216616 0.921362 0.244855
C 3.025217 -1.308989 0.557230
C 3.981068 1.212687 -0.266424
C -3.503824 0.536986 -2.162474
C -4.543654 0.527810 0.524680
C 4.778160 0.062256 -0.308205
C 4.344840 -1.216192 0.089853
C -5.309322 0.153689 -0.585297
C -4.839203 0.146737 -1.915043
H 0.336403 1.799233 2.072279
H -0.961488 2.936047 0.373566
H 0.077539 -0.711046 0.407578
H 0.566728 -0.539433 2.093412
H -0.589942 0.471267 -1.355182
H -1.023296 2.121921 -1.832168
H 4.349338 2.187765 -0.603365
H -3.116260 0.536829 -3.186276
H -4.945293 0.534470 1.543290
H 4.997292 -2.095440 0.021994
H -5.512007 -0.144500 -2.728358
H 0.774028 -4.068370 -0.213183
H 8.254229 0.710894 0.578535
H -7.578855 -2.604841 0.198157


