%mem=4GB
%nprocshared=4
%chk=BS1-THF-rTHF.chk
#P B3LYP/Gen OPT=(MaxCycle=100) Freq=NoRaman SCRF=(SMD,Solvent=THF) EmpiricalDispersion=GD3BJ 

THF...THF-radical Optimization

0 2
 O                  3.85720700   -0.80066900   -0.03420500
 C                  2.99117400   -0.37407600    0.91556200
 C                  2.81619500    1.11415600    0.92174200
 C                  2.98856100    1.36345800   -0.57002900
 C                  3.97949900    0.26337700   -1.00936100
 H                  3.59294300    1.59811100    1.51880800
 H                  1.85528100    1.46724300    1.30536900
 H                  3.37353200    2.36651000   -0.78022500
 H                  2.03370600    1.18282000   -1.05189100
 H                  5.02121600    0.59695600   -0.99447600
 H                  3.76284100   -0.13778800   -2.01074100
 H                  3.24180300   -0.85598500    1.87984700
 O                  0.11634455   -0.79388755   -1.16064790
 C                  0.59010664   -1.66585589   -0.10473737
 C                 -0.53084943   -1.77836403    0.91818834
 C                 -1.75150512   -1.50652054    0.06235314
 C                 -1.27377349   -0.42018862   -0.89622264
 H                  0.86115473   -2.63451550   -0.56800531
 H                 -0.45017197   -0.99438291    1.68493383
 H                 -0.57871494   -2.75050691    1.41624445
 H                 -2.60371033   -1.15724570    0.64793211
 H                 -2.03583031   -2.41816733   -0.47355159
 H                 -1.31435198    0.57392217   -0.44821482
 H                 -1.79703983   -0.37455768   -1.85684522
 H                  1.50077247   -1.24136999    0.33811360

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


