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system name	optimization level	Hide CCSD(T) /CBS CPCCSD(T) /CBS CP
2-pyridoxine ... 2-aminopyridine (0.9)	MP2/cc-pVTZ CP	-15.13
2-pyridoxine ... 2-aminopyridine (1.0)	MP2/cc-pVTZ CP	-16.7
2-pyridoxine ... 2-aminopyridine (1.2)	MP2/cc-pVTZ CP	-13.93
2-pyridoxine ... 2-aminopyridine (1.5)	MP2/cc-pVTZ CP	-8.18
2-pyridoxine ... 2-aminopyridine (2.0)	MP2/cc-pVTZ CP	-3.26
adenine ... thymine (stack) (0.9)	MP2/cc-pVTZ CP	-7.99
adenine ... thymine (stack) (1.0)	MP2/cc-pVTZ CP	-12.22
adenine ... thymine (stack) (1.2)	MP2/cc-pVTZ CP	-8.23
adenine ... thymine (stack) (1.5)	MP2/cc-pVTZ CP	-3.25
adenine ... thymine (stack) (2.0)	MP2/cc-pVTZ CP	-0.92
adenine ... thymine (WC) (0.9)	MP2/cc-pVTZ CP	-15.02
adenine ... thymine (WC) (1.0)	MP2/cc-pVTZ CP	-16.37
adenine ... thymine (WC) (1.2)	MP2/cc-pVTZ CP	-13.3
adenine ... thymine (WC) (1.5)	MP2/cc-pVTZ CP	-7.43
adenine ... thymine (WC) (2.0)	MP2/cc-pVTZ CP	-2.59
ammonia dimer (0.9)	CCSD(T)/cc-pVQZ noCP	-2.41
ammonia dimer (1.0)	CCSD(T)/cc-pVQZ noCP	-3.14
ammonia dimer (1.2)	CCSD(T)/cc-pVQZ noCP	-2.36
ammonia dimer (1.5)	CCSD(T)/cc-pVQZ noCP	-1.11
ammonia dimer (2.0)	CCSD(T)/cc-pVQZ noCP	-0.36
benzene ... ammonia (0.9)	MP2/cc-pVTZ CP	-2.04
benzene ... ammonia (1.0)	MP2/cc-pVTZ CP	-2.35
benzene ... ammonia (1.2)	MP2/cc-pVTZ CP	-1.75
benzene ... ammonia (1.5)	MP2/cc-pVTZ CP	-0.85
benzene ... ammonia (2.0)	MP2/cc-pVTZ CP	-0.28
benzene ... HCN (0.9)	MP2/cc-pVTZ CP	-4.02
benzene ... HCN (1.0)	MP2/cc-pVTZ CP	-4.52
benzene ... HCN (1.2)	MP2/cc-pVTZ CP	-3.68
benzene ... HCN (1.5)	MP2/cc-pVTZ CP	-2.09
benzene ... HCN (2.0)	MP2/cc-pVTZ CP	-0.85
benzene ... methane (0.9)	MP2/cc-pVTZ CP	-1.09
benzene ... methane (1.0)	MP2/cc-pVTZ CP	-1.5
benzene ... methane (1.2)	MP2/cc-pVTZ CP	-1.13
benzene ... methane (1.5)	MP2/cc-pVTZ CP	-0.48
benzene ... methane (2.0)	MP2/cc-pVTZ CP	-0.12
benzene ... water (0.9)	MP2/cc-pVTZ CP	-3.01
benzene ... water (1.0)	MP2/cc-pVTZ CP	-3.27
benzene ... water (1.2)	MP2/cc-pVTZ CP	-2.47
benzene ... water (1.5)	MP2/cc-pVTZ CP	-1.3
benzene ... water (2.0)	MP2/cc-pVTZ CP	-0.49
benzene dimer (stack) (0.9)	MP2/cc-pVTZ CP	-0.15
benzene dimer (stack) (1.0)	MP2/cc-pVTZ CP	-2.81
benzene dimer (stack) (1.2)	MP2/cc-pVTZ CP	-1.92
benzene dimer (stack) (1.5)	MP2/cc-pVTZ CP	-0.53
benzene dimer (stack) (2.0)	MP2/cc-pVTZ CP	-0.07
benzene dimer (T-shape) (0.9)	MP2/cc-pVTZ CP	-2.2
benzene dimer (T-shape) (1.0)	MP2/cc-pVTZ CP	-2.8
benzene dimer (T-shape) (1.2)	MP2/cc-pVTZ CP	-2.25
benzene dimer (T-shape) (1.5)	MP2/cc-pVTZ CP	-1.12
benzene dimer (T-shape) (2.0)	MP2/cc-pVTZ CP	-0.35
ethene ... ethyne (0.9)	CCSD(T)/cc-pVQZ noCP	-1.17
ethene ... ethyne (1.0)	CCSD(T)/cc-pVQZ noCP	-1.49
ethene ... ethyne (1.2)	CCSD(T)/cc-pVQZ noCP	-1.08
ethene ... ethyne (1.5)	CCSD(T)/cc-pVQZ noCP	-0.49
ethene ... ethyne (2.0)	CCSD(T)/cc-pVQZ noCP	-0.15
ethene dimer (0.9)	CCSD(T)/cc-pVQZ noCP	-0.68
ethene dimer (1.0)	CCSD(T)/cc-pVQZ noCP	-1.48
ethene dimer (1.2)	CCSD(T)/cc-pVQZ noCP	-0.81
ethene dimer (1.5)	CCSD(T)/cc-pVQZ noCP	-0.2
ethene dimer (2.0)	CCSD(T)/cc-pVQZ noCP	-0.03
formamide dimer (0.9)	MP2/cc-pVTZ noCP	-14.14
formamide dimer (1.0)	MP2/cc-pVTZ noCP	-15.95
formamide dimer (1.2)	MP2/cc-pVTZ noCP	-13.4
formamide dimer (1.5)	MP2/cc-pVTZ noCP	-8.1
formamide dimer (2.0)	MP2/cc-pVTZ noCP	-3.51
formic acid dimer (0.9)	CCSD(T)/cc-pVTZ noCP	-16.34
formic acid dimer (1.0)	CCSD(T)/cc-pVTZ noCP	-18.59
formic acid dimer (1.2)	CCSD(T)/cc-pVTZ noCP	-15.62
formic acid dimer (1.5)	CCSD(T)/cc-pVTZ noCP	-9.24
formic acid dimer (2.0)	CCSD(T)/cc-pVTZ noCP	-3.63
indole ... benzene (stack) (0.9)	MP2/cc-pVTZ CP	-2.13
indole ... benzene (stack) (1.0)	MP2/cc-pVTZ CP	-5.18
indole ... benzene (stack) (1.2)	MP2/cc-pVTZ CP	-3.61
indole ... benzene (stack) (1.5)	MP2/cc-pVTZ CP	-1.08
indole ... benzene (stack) (2.0)	MP2/cc-pVTZ CP	-0.1
indole ... benzene (T-shape) (0.9)	MP2/cc-pVTZ CP	-4.99
indole ... benzene (T-shape) (1.0)	MP2/cc-pVTZ CP	-5.74
indole ... benzene (T-shape) (1.2)	MP2/cc-pVTZ CP	-4.88
indole ... benzene (T-shape) (1.5)	MP2/cc-pVTZ CP	-2.8
indole ... benzene (T-shape) (2.0)	MP2/cc-pVTZ CP	-1.1
methane dimer (0.9)	CCSD(T)/cc-pVTZ noCP	-0.34
methane dimer (1.0)	CCSD(T)/cc-pVTZ noCP	-0.53
methane dimer (1.2)	CCSD(T)/cc-pVTZ noCP	-0.25
methane dimer (1.5)	CCSD(T)/cc-pVTZ noCP	-0.06
methane dimer (2.0)	CCSD(T)/cc-pVTZ noCP	-0.01
phenol dimer (0.9)	MP2/cc-pVTZ CP	-6.42
phenol dimer (1.0)	MP2/cc-pVTZ CP	-7.05
phenol dimer (1.2)	MP2/cc-pVTZ CP	-5.79
phenol dimer (1.5)	MP2/cc-pVTZ CP	-3.41
phenol dimer (2.0)	MP2/cc-pVTZ CP	-1.38
pyrazine dimer (0.9)	MP2/cc-pVTZ CP	-1.69
pyrazine dimer (1.0)	MP2/cc-pVTZ CP	-4.51
pyrazine dimer (1.2)	MP2/cc-pVTZ CP	-3.02
pyrazine dimer (1.5)	MP2/cc-pVTZ CP	-0.98
pyrazine dimer (2.0)	MP2/cc-pVTZ CP	-0.19
uracil dimer (HB) (0.9)	MP2/cc-pVTZ CP	-18.73
uracil dimer (HB) (1.0)	MP2/cc-pVTZ CP	-20.46
uracil dimer (HB) (1.2)	MP2/cc-pVTZ CP	-17.16
uracil dimer (HB) (1.5)	MP2/cc-pVTZ CP	-10.46
uracil dimer (HB) (2.0)	MP2/cc-pVTZ CP	-4.58
uracil dimer (stack) (0.9)	MP2/cc-pVTZ CP	-6.76
uracil dimer (stack) (1.0)	MP2/cc-pVTZ CP	-9.87
uracil dimer (stack) (1.2)	MP2/cc-pVTZ CP	-6.26
uracil dimer (stack) (1.5)	MP2/cc-pVTZ CP	-2.42
uracil dimer (stack) (2.0)	MP2/cc-pVTZ CP	-0.69
water dimer (0.9)	CCSD(T)/cc-pVQZ noCP	-4.32
water dimer (1.0)	CCSD(T)/cc-pVQZ noCP	-4.97
water dimer (1.2)	CCSD(T)/cc-pVQZ noCP	-4.04
water dimer (1.5)	CCSD(T)/cc-pVQZ noCP	-2.29
water dimer (2.0)	CCSD(T)/cc-pVQZ noCP	-0.96

Benchmark Energy & Geometry Database