tmer2_GMTKN PCH_PhBr PCH PhBr   x -1 1 1 $1 0.85
tmer2_GMTKN NCH_PhBr NCH PhBr   x -1 1 1 $1 1.15
tmer2_GMTKN NH3_PhBr NH3 PhBr   x -1 1 1 $1 2.02
tmer2_GMTKN MeI_PCH  MeI PCH    x -1 1 1 $1 0.85
tmer2_GMTKN MeI_NCH  MeI NCH    x -1 1 1 $1 1.42
tmer2_GMTKN MeI_NH3  MeI NH3    x -1 1 1 $1 2.73
tmer2_GMTKN PCH_PhI  PCH PhI    x -1 1 1 $1 0.92
tmer2_GMTKN NCH_PhI NCH PhI     x -1 1 1 $1 1.87
tmer2_GMTKN NH3_PhI NH3 PhI     x -1 1 1 $1 3.33
tmer2_GMTKN PCH_F3CI PCH F3CI   x -1 1 1 $1 0.89
tmer2_GMTKN NCH_F3CI NCH F3CI   x -1 1 1 $1 3.61
tmer2_GMTKN NH3_F3CI NH3 F3CI   x -1 1 1 $1 5.88
tmer2_GMTKN BrBr_PCH BrBr PCH   x -1 1 1 $1 1.18
tmer2_GMTKN BrBr_NCH BrBr NCH   x -1 1 1 $1 3.61
tmer2_GMTKN BrBr_NH3 BrBr NH3   x -1 1 1 $1 7.29
tmer2_GMTKN PCH_NBS  PCH NBS    x -1 1 1 $1 1.19
tmer2_GMTKN NCH_NBS NCH NBS     x -1 1 1 $1 4.32
tmer2_GMTKN NH3_NBS NH3 NBS     x -1 1 1 $1 8.02
tmer2_GMTKN PCH_FCl  PCH FCl    x -1 1 1 $1 1.16
tmer2_GMTKN NCH_FCl NCH FCl     x -1 1 1 $1 4.81
tmer2_GMTKN NH3_FCl NH3 FCl     x -1 1 1 $1 10.54
tmer2_GMTKN PCH_NIS  PCH NIS    x -1 1 1 $1 1.53
tmer2_GMTKN NCH_NIS NCH NIS     x -1 1 1 $1 5.91
tmer2_GMTKN NH3_NIS NH3 NIS     x -1 1 1 $1 10.99
tmer2_GMTKN PCH_FBr  PCH FBr    x -1 1 1 $1 2.07
tmer2_GMTKN NCH_FBr NCH FBr     x -1 1 1 $1 7.53
tmer2_GMTKN NH3_FBr NH3 FBr     x -1 1 1 $1 15.30
tmer2_GMTKN FI_PCH  FI PCH      x -1 1 1 $1 2.74
tmer2_GMTKN FI_NCH  FI NCH      x -1 1 1 $1 9.33
tmer2_GMTKN FI_NH3  FI NH3      x -1 1 1 $1 17.11
tmer2_GMTKN MeI_FCCH MeI FCCH   x -1 1 1 $1 0.50
tmer2_GMTKN BrBr_FCCH BrBr FCCH x -1 1 1 $1 0.74
tmer2_GMTKN FI_FCCH FI FCCH     x -1 1 1 $1 0.29
tmer2_GMTKN MeI_FMe  MeI FMe    x -1 1 1 $1 1.70
tmer2_GMTKN BrBr_FMe BrBr FMe   x -1 1 1 $1 2.87
tmer2_GMTKN FI_FMe  FI FMe      x -1 1 1 $1 5.97
tmer2_GMTKN MeI_OCH2  MeI OCH2  x -1 1 1 $1 2.39
tmer2_GMTKN BrBr_OCH2 BrBr OCH2 x -1 1 1 $1 4.41
tmer2_GMTKN FI_OCH2  FI OCH2    x -1 1 1 $1 9.94
tmer2_GMTKN MeI_OPH3  MeI OPH3  x -1 1 1 $1 3.34
tmer2_GMTKN BrBr_OPH3 BrBr OPH3 x -1 1 1 $1 5.95
tmer2_GMTKN FI_OPH3  FI OPH3    x -1 1 1 $1 13.36
tmer2_GMTKN MeI_pyr  MeI pyr    x -1 1 1 $1 3.61
tmer2_GMTKN BrBr_pyr BrBr pyr   x -1 1 1 $1 9.07
tmer2_GMTKN FI_pyr  FI pyr      x -1 1 1 $1 20.34
#the above systems are from XB51 without the three PdCl2 and Li cases. Kozuch and Martin, JCTC 2013, 9, 1918.
##est. CCSD(T)/CBS
##values taken from SI because of errors in Table 5 in the MS.

#systems 11,12, 19-30 from Hobza's X40 set; Refs. est. CCSD(T)/CBS
tmer2_GMTKN 11_benF3-benA 11_benF3-benB 11_benF3-benAB  x 1 1 -1 $1 4.40
tmer2_GMTKN 12_benF6-benA 12_benF6-benB 12_benF6-benAB  x 1 1 -1 $1 6.12
tmer2_GMTKN 19_benCl-acetoneA 19_benCl-acetoneB 19_benCl-acetoneAB  x 1 1 -1 $1 1.49
tmer2_GMTKN 20_benBr-acetoneA 20_benBr-acetoneB 20_benBr-acetoneAB  x 1 1 -1 $1 2.43
tmer2_GMTKN 21_benI-acetoneA 21_benI-acetoneB 21_benI-acetoneAB  x 1 1 -1 $1 3.46
tmer2_GMTKN 22_benCl-Nm3A 22_benCl-Nm3B 22_benCl-Nm3AB  x 1 1 -1 $1 2.11
tmer2_GMTKN 23_benBr-Nm3A 23_benBr-Nm3B 23_benBr-Nm3AB  x 1 1 -1 $1 3.78
tmer2_GMTKN 24_benI-Nm3A 24_benI-Nm3B 24_benI-Nm3AB  x 1 1 -1 $1 5.81
tmer2_GMTKN 25_benBr-mSHA 25_benBr-mSHB 25_benBr-mSHAB  x 1 1 -1 $1 2.32
tmer2_GMTKN 26_benI-mSHA 26_benI-mSHB 26_benI-mSHAB  x 1 1 -1 $1  3.08
tmer2_GMTKN 27_CH3Br-benA 27_CH3Br-benB 27_CH3Br-benAB  x 1 1 -1 $1 1.81
tmer2_GMTKN 28_CH3I-benA 28_CH3I-benB 28_CH3I-benAB  x 1 1 -1 $1  2.48
tmer2_GMTKN 29_CF3Br-benA 29_CF3Br-benB 29_CF3Br-benAB  x 1 1 -1 $1 3.11
tmer2_GMTKN 30_CF3I-benA 30_CF3I-benB 30_CF3I-benAB  x 1 1 -1 $1  3.91
