tmer2_GMTKN 1O 1O_A 1O_B x -1 1 1 $1         5.370 
tmer2_GMTKN 2O 2O_A 2O_B x -1 1 1 $1         6.047 
tmer2_GMTKN 3O 3O_A 3O_B x -1 1 1 $1         2.421 
tmer2_GMTKN 4O 4O_A 4O_B x -1 1 1 $1         9.967 
tmer2_GMTKN 1N 1N_A 1N_B x -1 1 1 $1         2.357 
tmer2_GMTKN 2N 2N_A 2N_B x -1 1 1 $1         3.021 
tmer2_GMTKN 3N 3N_A 3N_B x -1 1 1 $1         1.205 
tmer2_GMTKN 4N 4N_A 4N_B x -1 1 1 $1         4.177 
tmer2_GMTKN 1CL 1CL_A 1CL_B x -1 1 1 $1      7.839 
tmer2_GMTKN 2CL 2CL_A 2CL_B x -1 1 1 $1     10.483 
tmer2_GMTKN 3CL 3CL_A 3CL_B x -1 1 1 $1      3.241 
tmer2_GMTKN 4CL 4CL_A 4CL_B x -1 1 1 $1     16.296
# SG/AH 01/2017
# # PBEh-3c opt carbene (1), CClMe (2), SiH2 (3), NHC (4) singlet ... H2O, NH3, HCl complexes
# # 4CL is an intermediate step of the optimization because the minimum corresponds
# # to a full HCl-NHC proton transfer
# # W2-F12 reference values (w/o CP correction and geometry relaxation) in kcal/mol
 
