%mem=80GB
%nprocshared=24
%chk=BS1-THF3-rCl-t2.chk
#P B3LYP/Gen OPT=(MaxCycle=100) Freq=NoRaman SCRF=(SMD,Solvent=THF) EmpiricalDispersion=GD3BJ 

THF3...Cl-radical Optimization

0 2
 O     1.420402    -1.042262     0.099734
 C     1.917026    -0.630174    -1.185161
 C     0.958626    -1.203635    -2.237498
 C    -0.346591    -1.348282    -1.442320
 C     0.182196    -1.754848    -0.067681
 H     1.935731     0.468783    -1.215369
 H     1.308088    -2.184986    -2.577765
 H     0.862166    -0.554130    -3.112561
 H    -1.033169    -2.087789    -1.865545
 H    -0.867254    -0.384863    -1.383311
 H     0.365149    -2.836403    -0.019889
 H    -0.482965    -1.473393     0.756461
 H     2.943098    -0.995230    -1.307323
 O     3.752075    -1.528504    -5.931546
 C     4.977763    -1.394659    -5.339992
 C     5.136336     0.037331    -4.861085
 C     3.681077     0.389792    -4.513308
 C     2.888865    -0.418534    -5.542698
 H     4.978307    -2.089299    -4.329743
 H     5.513340     0.652189    -5.689124
 H     5.824775     0.125294    -4.018197
 H     3.469135     1.458894    -4.584359
 H     3.445371     0.053392    -3.500008
 H     2.684910     0.144205    -6.460332
 H     1.955149    -0.844724    -5.169445
 H     5.759482    -1.866038    -5.943557
Cl     5.010522    -2.974169    -2.842559
 O     1.473645    -4.945554     0.234872
 C     1.684607    -4.822254     1.651786
 C     3.162825    -4.470574     1.845905
 C     3.473884    -3.713915     0.547164
 C     2.651137    -4.507676    -0.465915
 H     1.034377    -4.025296     2.040511
 H     3.768726    -5.382388     1.912136
 H     3.335030    -3.877975     2.749616
 H     4.538482    -3.689826     0.297492
 H     3.095427    -2.688150     0.605545
 H     3.206616    -5.385032    -0.831423
 H     2.337701    -3.917356    -1.331550
 H     1.397914    -5.763961     2.135418

H C O Cl 0
6-31G*
****


