%chk=000162889.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162889

0 1
 S    4.145900       1.008900      0.3712000    
 S   -5.049000     -0.5363000     -0.7249000    
 P    2.226400      0.4082000     -0.2469000    
 O    1.125400       1.141100      0.6901000    
 O    2.018600      -1.171300      7.8500003E-02
 O   -4.334400      0.4589000      0.3624000    
 O    2.044800      0.7234000      -1.709500    
 O   -4.877800      9.9999997E-05  -2.060400    
 O   -4.738800      -1.914100     -0.3997000    
 C    5.291000      6.6100001E-02 -0.6553000    
 C    6.733300      0.4126000     -0.3033000    
 C  -0.2307000      0.9716000      0.6089000    
 C    7.711400     -0.3788000      -1.159300    
 C   -2.985900      0.6272000      0.4436000    
 C   -1.065500       1.665400       1.478400    
 C  -0.7614000      0.1072000     -0.3426000    
 C    2.152200      -1.648200       1.406300    
 C   -2.447100       1.492600       1.395600    
 C   -2.143000     -6.5499999E-02 -0.4255000    
 C    1.908700      -3.142300       1.420400    
 C   -6.724000     -0.2267000     -0.2279000    
 H    5.103700      -1.001200     -0.4989000    
 H    5.088100      0.2931000      -1.706900    
 H    6.918000       1.482800     -0.4568000    
 H    6.932900      0.1925000      0.7525000    
 H    7.582600      -1.455400      -1.008500    
 H    8.741500     -0.1197000     -0.8955000    
 H    7.567700     -0.1607000      -2.222400    
 H  -0.6500000       2.340200       2.221400    
 H  -0.1487000     -0.4504000      -1.040900    
 H    1.428600      -1.145100       2.054100    
 H    3.160000      -1.437800       1.774600    
 H   -3.098800       2.034900       2.075200    
 H   -2.498200     -0.7509000      -1.186300    
 H    2.621500      -3.655300      0.7663000    
 H   0.9070000      -3.372500       1.042600    
 H    2.005400      -3.544600       2.432600    
 H   -6.843200     -0.5207000      0.8167000    
 H   -7.382700     -0.8242000     -0.8615000    
 H   -6.941600      0.8350000     -0.3594000    


%chk=000162889-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000162889

0 1
S 4.500668 -0.336999 1.370541
S -5.164699 -0.245672 0.018350
P 2.706266 -0.766437 0.041258
O 1.572759 0.299369 0.885369
O 2.084846 -2.340582 0.387277
O -3.797479 1.238466 -0.382183
O 2.891981 -0.562987 -1.522252
O -4.906404 -1.548153 -0.923201
O -5.379003 -0.440268 1.620379
C 5.773999 -0.188034 -0.058199
C 5.787203 1.206460 -0.697862
C 0.223680 0.475854 0.501899
C 6.891164 1.305616 -1.776520
C -2.485329 0.954855 -0.078833
C -0.608308 1.054753 1.494212
C -0.278059 0.134818 -0.781422
C 1.926818 -2.790920 1.806913
C -1.961759 1.287461 1.206779
C -1.636429 0.361572 -1.059524
C 1.405696 -4.222118 1.731998
C -6.594017 0.786271 -0.694065
H 6.730101 -0.435366 0.436853
H 5.538704 -0.973400 -0.795971
H 4.800661 1.403121 -1.155494
H 5.948605 1.972805 0.083295
H 7.895757 1.132472 -1.346693
H 6.889812 2.309541 -2.237211
H 6.730310 0.565693 -2.582104
H -0.175759 1.307080 2.466451
H 0.382573 -0.291057 -1.543645
H 1.212855 -2.118774 2.318503
H 2.912303 -2.731678 2.308213
H -2.631340 1.725288 1.953414
H -2.060515 0.099524 -2.033655
H 2.119524 -4.871283 1.198100
H 0.436757 -4.257185 1.206995
H 1.264517 -4.619168 2.754305
H -6.626597 1.704501 -0.094076
H -7.499749 0.173291 -0.588565
H -6.328213 0.981370 -1.740627


