%chk=000075450.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075450

0 1
 S   0.2627000      -1.933300       2.862300    
 S    4.045800     -0.7574000     -0.9598000    
 S   -3.775100       1.348000       1.064000    
 C    1.060400      -2.306400       1.312800    
 C  -0.3738000     -0.2948000       2.541700    
 C    2.717500      -1.793000     -0.3631000    
 C   -2.144600       1.141100       1.753200    
 C    2.097500      -1.497300      0.8484000    
 C   -1.648800     -0.1386000       2.003300    
 C   0.6468000      -3.408400      0.5640000    
 C   0.4084000      0.8205000       2.831200    
 C    2.307400      -2.892300      -1.113100    
 C   -1.363800       2.260300       2.042200    
 C    1.270400      -3.701300     -0.6488000    
 C  -8.7499999E-02   2.100100       2.581200    
 C    3.225300      0.8193000      -1.092500    
 C   -3.613100      0.4715000     -0.4848000    
 C    2.121800      0.9628000      -1.933700    
 C   -2.666200      0.8842000      -1.418900    
 C    3.686300       1.909800     -0.3548000    
 C   -4.434100     -0.6214000     -0.7517000    
 C    1.479600       2.196600      -2.037500    
 C   -2.539700      0.2000000      -2.627800    
 C    3.043900       3.143600     -0.4586000    
 C   -4.307400      -1.305700      -1.960700    
 C    1.940600       3.286900      -1.300000    
 C   -3.360100     -0.8949000      -2.898500    
 H    2.443000     -0.6522000       1.438100    
 H   -2.256000      -1.015000       1.785600    
 H  -0.1605000      -4.049800      0.9090000    
 H    1.402900      0.7177000       3.257600    
 H    2.780900      -3.135100      -2.060900    
 H   -1.732600       3.265400       1.853000    
 H   0.9478000      -4.558800      -1.232000    
 H   0.5205000       2.971500       2.806000    
 H    1.747100      0.1289000      -2.522200    
 H   -2.019700       1.737800      -1.231900    
 H    4.543700       1.816900      0.3071000    
 H   -5.176900     -0.9559000     -3.2099999E-02
 H   0.6202000       2.308200      -2.692100    
 H   -1.802100      0.5199000      -3.358100    
 H    3.401700       3.992500      0.1166000    
 H   -4.945800      -2.158600      -2.171700    
 H    1.439500       4.247200      -1.379900    
 H   -3.261300      -1.427900      -3.839700    


%chk=000075450-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000075450

0 1
S 0.514202 -1.626740 2.938983
S 2.040443 -0.592478 -2.487372
S -3.603163 1.481666 0.521302
C 1.052659 -2.150480 1.252029
C -0.339403 -0.019989 2.630931
C 1.764710 -1.702801 -1.033997
C -2.115972 1.287443 1.592694
C 1.302358 -1.226515 0.212481
C -1.451635 0.051486 1.760881
C 1.259585 -3.537315 1.054462
C 0.085918 1.111203 3.364746
C 1.991566 -3.084242 -1.245513
C -1.702615 2.430026 2.323118
C 1.733676 -3.993015 -0.195477
C -0.613400 2.331465 3.215407
C 2.315453 1.059416 -1.711221
C -3.336952 0.237109 -0.815912
C 1.461678 2.126606 -2.073749
C -2.107847 0.141987 -1.510101
C 3.406497 1.277340 -0.836681
C -4.436521 -0.570358 -1.188983
C 1.704674 3.422200 -1.559301
C -1.975223 -0.782350 -2.570167
C 3.631217 2.569720 -0.312331
C -4.303578 -1.474712 -2.268713
C 2.784777 3.645004 -0.675363
C -3.073611 -1.586830 -2.956773
H 1.140831 -0.156627 0.373439
H -1.786050 -0.840523 1.222507
H 1.048198 -4.247871 1.860233
H 0.952798 1.038605 4.028395
H 2.365991 -3.442551 -2.210140
H -2.221082 3.384902 2.185848
H 1.901296 -5.063976 -0.353164
H -0.292229 3.214613 3.778006
H 0.620603 1.947344 -2.751948
H -1.261092 0.774452 -1.222968
H 4.067957 0.446508 -0.570384
H -5.379215 -0.499002 -0.636465
H 1.043771 4.248411 -1.843010
H -1.012621 -0.866026 -3.087033
H 4.472633 2.737266 0.368937
H -5.156921 -2.097753 -2.558611
H 2.967224 4.647284 -0.272584
H -2.968985 -2.297298 -3.784040


