%chk=000081971.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081971

0 1
 S    1.216700       1.038100      -1.147500    
 S   -1.171200      -1.171600     -0.7857000    
 S  -7.6000001E-03 -0.2354000      -2.191400    
 S    3.978300     -0.8005000      -2.304300    
 S   -3.664200      0.6633000      -2.399000    
 P    2.885200     -0.2370000     -0.7730000    
 P   -2.823500      0.1721000     -0.6944000    
 O    3.786400      0.4672000      0.3964000    
 O    2.335900      -1.511000      9.2699997E-02
 O   -2.274200       1.477300      0.1234000    
 O   -3.879900     -0.4239000      0.4009000    
 C    4.500000       1.663300      0.1296000    
 C    3.248100      -2.440200      0.6553000    
 C   -3.162100       2.503900      0.5330000    
 C   -4.620500      -1.598300      0.1137000    
 C    5.297700       2.056500       1.363600    
 C    3.518900       2.750600     -0.2813000    
 C    2.470500      -3.550200       1.345800    
 C    4.173700      -1.712700       1.618400    
 C   -2.368700       3.612000       1.208700    
 C   -4.215100       1.915000       1.459400    
 C   -5.566900      -1.888700       1.268600    
 C   -3.657500      -2.749500     -0.1329000    
 H    5.212000       1.486200     -0.6832000    
 H    3.838100      -2.901100     -0.1435000    
 H   -3.648900       2.934600     -0.3480000    
 H   -5.229300      -1.431500     -0.7811000    
 H    5.882800       2.964700       1.190600    
 H    5.981800       1.249900       1.648400    
 H    4.634400       2.222500       2.219600    
 H    4.008300       3.730600     -0.2149000    
 H    3.237000       2.660500      -1.331900    
 H    2.646100       2.793500      0.3756000    
 H    3.139300      -4.306400       1.767900    
 H    1.793600      -4.039000      0.6367000    
 H    1.844600      -3.145900       2.149100    
 H    4.643600      -2.434700       2.298000    
 H    5.014400      -1.242500       1.100900    
 H    3.644400     -0.9870000       2.244100    
 H   -3.015600       4.440100       1.513600    
 H   -1.601500       3.999500      0.5296000    
 H   -1.843300       3.232100       2.091900    
 H   -4.698100       2.713100       2.035900    
 H   -5.028100       1.444000      0.9000000    
 H   -3.789700       1.206900       2.177700    
 H   -6.176900      -2.775900       1.074000    
 H   -6.234000      -1.036500       1.437900    
 H   -5.010100      -2.041300       2.199800    
 H   -4.201700      -3.701200     -8.6700000E-02
 H   -3.245800      -2.719300      -1.143500    
 H   -2.870300      -2.801600      0.6242000    


%chk=000081971-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081971

0 1
S 1.172292 1.494633 -0.749785
S -1.179219 -1.303476 -0.802498
S -0.007214 0.123023 -2.106605
S 4.105576 -0.570086 -2.072339
S -4.260356 0.508021 -2.159182
P 3.104122 0.210738 -0.438008
P -3.178878 -0.124993 -0.512107
O 3.983786 1.308461 0.587953
O 2.455357 -0.890611 0.719309
O -2.592468 1.065836 0.586326
O -3.963630 -1.230963 0.580053
C 5.136493 2.098804 0.019034
C 3.077822 -2.259061 0.886980
C -3.295575 2.400705 0.697241
C -5.032614 -2.162220 0.064707
C 5.945274 2.512033 1.251665
C 4.607543 3.280585 -0.804006
C 2.004796 -3.054360 1.633558
C 4.408748 -2.137340 1.639515
C -2.269713 3.291693 1.400651
C -4.613995 2.232087 1.462484
C -5.819344 -2.552841 1.318971
C -4.385301 -3.350613 -0.658803
H 5.720618 1.411775 -0.626124
H 3.241225 -2.671320 -0.128999
H -3.488504 2.757277 -0.334399
H -5.667802 -1.583759 -0.636205
H 6.845232 3.071706 0.937237
H 6.263213 1.625707 1.825928
H 5.341227 3.158845 1.911086
H 5.454238 3.890487 -1.169172
H 4.032886 2.935301 -1.681660
H 3.956978 3.922245 -0.184064
H 2.341154 -4.098773 1.768285
H 1.058128 -3.053304 1.068046
H 1.817624 -2.611945 2.627217
H 4.818650 -3.144479 1.839956
H 5.154585 -1.577476 1.047849
H 4.258148 -1.618564 2.601912
H -2.666790 4.319655 1.488173
H -1.325649 3.320925 0.831422
H -2.054267 2.908167 2.412845
H -5.084526 3.220322 1.619111
H -5.325162 1.600994 0.900492
H -4.428927 1.768305 2.446677
H -6.657288 -3.218597 1.042365
H -6.228688 -1.658588 1.818124
H -5.167929 -3.085329 2.033296
H -5.166068 -4.064443 -0.979583
H -3.832294 -3.024052 -1.557429
H -3.686415 -3.876535 0.015200


