K R Bryenton 2025-07-31

Data from:
    Supplementary Information:
    A Look at the Density Functional Theory Zoo with the Advanced GMTKN55 Database for General Main Group Thermochemistry, Kinetics and Noncovalent Interactions 2017
    Lars Goerigk, Andreas Hansen, Christoph Bauer, Stephan Ehrlich, Asim Najibi, and Stefan Grimme,
    (Part 1: Dispersion Corrected Results)

Useful scripts:

    mkdir temp
    awk 'f || /^Table /{f=1; print}' 00_scraped_data.txt > temp/00_scraped_data.txt2
    cd temp
    awk '/^Table /{out=$2".temp"; next} {print > out}' 00_scraped_data.txt2
    for i in *.temp ; do cat $i | awk -v dir="$(pwd)" '{printf "## data dir: %s/%s \n    MAD --- %s \n", dir , $1, $2}' > ../${i%.temp}.results ; done
    cd ..
    rm -r temp
    sed -i "s/AMINO/Amino/g" *.results

Table PBE-D3BJ
W4-11 15.68
G21EA 3.43
G21IP 3.85
DIPCS10 4.50
PA26 2.19
SIE4x4 23.72
ALKBDE10 6.30
YBDE18 4.93
AL2X6 1.63
HEAVYSB11 3.55
NBPRC 2.41
ALK8 4.14
RC21 6.85
G2RC 6.92
BH76RC 4.18
FH51 3.17
TAUT15 1.84
DC13 8.63
MB16-43 24.26
DARC 3.31
RSE43 2.94
BSR36 3.17
CDIE20 1.65
ISO34 1.49
ISOL24 4.39
C60ISO 10.72
PArel 1.81
BH76 9.62
BHPERI 6.69
BHDIV10 8.87
INV24 2.07
BHROT27 0.47
PX13 12.02
WCPT18 9.34
RG18 0.26
ADIM6 0.21
S22 0.48
S66 0.40
HEAVY28 0.42
WATER27 8.92
CARBHB12 1.91
PNICO23 1.32
HAL59 1.18
AHB21 1.15
CHB6 0.93
IL16 0.59
IDISP 2.76
ICONF 0.32
ACONF 0.07
AMINO20x4 0.34
PCONF21 1.25
MCONF 0.49
SCONF 0.80
UPU23 0.53
BUT14DIOL 0.46
Table PBEhPBE-D3BJ
W4-11 14.41
G21EA 3.22
G21IP 3.89
DIPCS10 4.38
PA26 2.04
SIE4x4 23.56
ALKBDE10 6.83
YBDE18 4.65
AL2X6 3.69
HEAVYSB11 6.17
NBPRC 2.44
ALK8 11.44
RC21 6.22
G2RC 6.72
BH76RC 4.02
FH51 3.18
TAUT15 1.89
DC13 9.75
MB16-43 31.49
DARC 4.03
RSE43 2.95
BSR36 2.55
CDIE20 1.67
ISO34 1.58
ISOL24 4.92
C60ISO 10.07
PArel 1.71
BH76 9.69
BHPERI 6.30
BHDIV10 8.75
INV24 2.38
BHROT27 0.49
PX13 11.24
WCPT18 8.88
RG18 0.35
ADIM6 0.10
S22 0.47
S66 0.39
HEAVY28 1.40
WATER27 8.88
CARBHB12 2.01
PNICO23 1.96
HAL59 1.99
AHB21 1.32
CHB6 2.24
IL16 0.81
IDISP 2.96
ICONF 0.29
ACONF 0.08
AMINO20x4 0.36
PCONF21 1.16
MCONF 0.48
SCONF 0.91
UPU23 0.49
BUT14DIOL 0.57
Table revPBE-D3BJ
W4-11 7.57
G21EA 2.75
G21IP 4.20
DIPCS10 4.81
PA26 4.73
SIE4x4 23.43
ALKBDE10 5.16
YBDE18 4.41
AL2X6 2.07
HEAVYSB11 2.72
NBPRC 1.98
ALK8 3.61
RC21 4.85
G2RC 6.16
BH76RC 2.76
FH51 3.34
TAUT15 1.55
DC13 8.44
MB16-43 27.11
DARC 3.71
RSE43 2.31
BSR36 1.80
CDIE20 1.50
ISO34 1.50
ISOL24 4.56
C60ISO 9.82
PArel 1.53
BH76 8.32
BHPERI 6.29
BHDIV10 7.83
INV24 2.18
BHROT27 0.37
PX13 8.75
WCPT18 7.22
RG18 0.09
ADIM6 0.25
S22 0.43
S66 0.28
HEAVY28 0.29
WATER27 3.51
CARBHB12 1.10
PNICO23 0.88
HAL59 0.72
AHB21 1.04
CHB6 0.90
IL16 0.77
IDISP 3.14
ICONF 0.32
ACONF 0.09
AMINO20x4 0.37
PCONF21 0.87
MCONF 0.44
SCONF 0.51
UPU23 0.47
BUT14DIOL 0.31
Table RPBE-D3BJ
W4-11 8.29
G21EA 2.87
G21IP 4.19
DIPCS10 5.13
PA26 5.20
SIE4x4 23.63
ALKBDE10 5.80
YBDE18 3.22
AL2X6 7.57
HEAVYSB11 6.18
NBPRC 3.91
ALK8 17.02
RC21 6.15
G2RC 7.58
BH76RC 3.08
FH51 3.83
TAUT15 1.58
DC13 11.16
MB16-43 50.76
DARC 2.19
RSE43 2.31
BSR36 0.61
CDIE20 1.30
ISO34 1.29
ISOL24 4.37
C60ISO 7.82
PArel 1.69
BH76 8.98
BHPERI 8.42
BHDIV10 9.40
INV24 2.47
BHROT27 0.47
PX13 8.72
WCPT18 7.81
RG18 0.45
ADIM6 0.24
S22 0.47
S66 0.28
HEAVY28 0.95
WATER27 1.28
CARBHB12 1.48
PNICO23 1.86
HAL59 1.56
AHB21 1.11
CHB6 2.69
IL16 0.46
IDISP 2.62
ICONF 0.53
ACONF 0.06
AMINO20x4 0.31
PCONF21 1.07
MCONF 0.47
SCONF 0.47
UPU23 0.57
BUT14DIOL 0.29
Table PW91-D3BJ
W4-11 15.59
G21EA 3.84
G21IP 3.90
DIPCS10 4.19
PA26 2.05
SIE4x4 23.76
ALKBDE10 7.20
YBDE18 5.24
AL2X6 1.93
HEAVYSB11 3.57
NBPRC 2.40
ALK8 2.74
RC21 6.35
G2RC 6.50
BH76RC 4.13
FH51 3.20
TAUT15 1.87
DC13 8.85
MB16-43 20.30
DARC 4.47
RSE43 2.97
BSR36 4.52
CDIE20 1.66
ISO34 1.53
ISOL24 5.23
C60ISO 10.11
PArel 1.82
BH76 9.87
BHPERI 5.92
BHDIV10 8.51
INV24 2.46
BHROT27 0.48
PX13 12.18
WCPT18 9.15
RG18 0.57
ADIM6 0.14
S22 0.67
S66 0.50
HEAVY28 0.35
WATER27 10.22
CARBHB12 2.00
PNICO23 1.21
HAL59 1.15
AHB21 1.41
CHB6 1.13
IL16 0.56
IDISP 4.28
ICONF 0.36
ACONF 0.15
AMINO20x4 0.34
PCONF21 1.66
MCONF 0.49
SCONF 0.71
UPU23 0.60
BUT14DIOL 0.47
Table BLYP-D3BJ
W4-11 8.10
G21EA 3.27
G21IP 4.68
DIPCS10 7.87
PA26 2.79
SIE4x4 25.25
ALKBDE10 6.01
YBDE18 7.20
AL2X6 4.48
HEAVYSB11 3.18
NBPRC 3.31
ALK8 2.05
RC21 4.39
G2RC 5.42
BH76RC 3.06
FH51 4.72
TAUT15 1.66
DC13 16.12
MB16-43 30.18
DARC 13.82
RSE43 2.82
BSR36 2.78
CDIE20 1.28
ISO34 2.68
ISOL24 9.02
C60ISO 9.49
PArel 1.79
BH76 9.29
BHPERI 3.62
BHDIV10 6.16
INV24 2.01
BHROT27 0.42
PX13 7.91
WCPT18 5.53
RG18 0.24
ADIM6 0.09
S22 0.25
S66 0.17
HEAVY28 0.39
WATER27 2.94
CARBHB12 0.97
PNICO23 0.62
HAL59 0.89
AHB21 0.77
CHB6 0.99
IL16 0.88
IDISP 4.90
ICONF 0.33
ACONF 0.13
AMINO20x4 0.31
PCONF21 0.76
MCONF 0.36
SCONF 0.58
UPU23 0.56
BUT14DIOL 0.42
Table BP86-D3BJ
W4-11 14.42
G21EA 5.08
G21IP 4.10
DIPCS10 4.02
PA26 2.74
SIE4x4 24.61
ALKBDE10 5.97
YBDE18 4.47
AL2X6 1.73
HEAVYSB11 2.90
NBPRC 1.79
ALK8 3.24
RC21 5.61
G2RC 5.97
BH76RC 3.48
FH51 3.17
TAUT15 1.83
DC13 8.51
MB16-43 23.62
DARC 3.81
RSE43 2.72
BSR36 0.88
CDIE20 1.55
ISO34 1.40
ISOL24 4.38
C60ISO 10.20
PArel 1.78
BH76 9.86
BHPERI 6.80
BHDIV10 8.68
INV24 1.98
BHROT27 0.41
PX13 12.28
WCPT18 8.73
RG18 0.64
ADIM6 0.21
S22 0.51
S66 0.31
HEAVY28 0.61
WATER27 4.43
CARBHB12 1.46
PNICO23 1.30
HAL59 1.31
AHB21 0.69
CHB6 0.53
IL16 0.52
IDISP 2.77
ICONF 0.27
ACONF 0.23
AMINO20x4 0.44
PCONF21 1.02
MCONF 0.61
SCONF 1.19
UPU23 0.50
BUT14DIOL 0.60
Table BPBE-D3BJ
W4-11 10.24
G21EA 2.71
G21IP 4.05
DIPCS10 4.30
PA26 4.09
SIE4x4 23.23
ALKBDE10 5.77
YBDE18 3.95
AL2X6 2.69
HEAVYSB11 3.09
NBPRC 2.08
ALK8 4.85
RC21 5.79
G2RC 6.35
BH76RC 3.32
FH51 3.11
TAUT15 1.81
DC13 8.35
MB16-43 28.41
DARC 2.51
RSE43 2.62
BSR36 1.03
CDIE20 1.61
ISO34 1.34
ISOL24 3.46
C60ISO 9.48
PArel 1.77
BH76 8.65
BHPERI 7.13
BHDIV10 8.69
INV24 2.22
BHROT27 0.41
PX13 11.43
WCPT18 8.32
RG18 0.63
ADIM6 0.30
S22 0.59
S66 0.38
HEAVY28 0.45
WATER27 2.88
CARBHB12 1.22
PNICO23 1.21
HAL59 1.10
AHB21 0.86
CHB6 0.61
IL16 0.39
IDISP 2.45
ICONF 0.29
ACONF 0.21
AMINO20x4 0.47
PCONF21 1.04
MCONF 0.74
SCONF 1.03
UPU23 0.54
BUT14DIOL 0.35
Table OPBE-D3BJ
W4-11 12.09
G21EA 3.11
G21IP 4.52
DIPCS10 4.91
PA26 8.35
SIE4x4 23.48
ALKBDE10 6.05
YBDE18 4.25
AL2X6 5.46
HEAVYSB11 4.80
NBPRC 6.82
ALK8 8.83
RC21 10.63
G2RC 10.17
BH76RC 3.70
FH51 4.18
TAUT15 1.75
DC13 19.74
MB16-43 53.44
DARC 13.35
RSE43 2.36
BSR36 2.84
CDIE20 1.71
ISO34 2.61
ISOL24 5.32
C60ISO 8.55
PArel 2.31
BH76 7.59
BHPERI 10.34
BHDIV10 10.41
INV24 2.77
BHROT27 0.60
PX13 11.21
WCPT18 9.45
RG18 0.10
ADIM6 0.11
S22 0.71
S66 0.52
HEAVY28 0.29
WATER27 11.83
CARBHB12 1.24
PNICO23 1.23
HAL59 0.87
AHB21 1.48
CHB6 1.45
IL16 0.65
IDISP 5.24
ICONF 0.55
ACONF 0.07
AMINO20x4 0.56
PCONF21 1.15
MCONF 0.66
SCONF 0.62
UPU23 0.49
BUT14DIOL 0.60
Table OLYP-D3BJ
W4-11 9.88
G21EA 2.41
G21IP 4.33
DIPCS10 6.87
PA26 6.95
SIE4x4 25.55
ALKBDE10 4.50
YBDE18 3.66
AL2X6 2.69
HEAVYSB11 3.59
NBPRC 2.43
ALK8 4.34
RC21 6.96
G2RC 6.80
BH76RC 2.89
FH51 3.19
TAUT15 1.69
DC13 8.21
MB16-43 29.04
DARC 1.82
RSE43 2.57
BSR36 0.74
CDIE20 1.35
ISO34 1.39
ISOL24 3.45
C60ISO 7.55
PArel 1.62
BH76 8.44
BHPERI 6.98
BHDIV10 7.85
INV24 2.56
BHROT27 0.52
PX13 7.99
WCPT18 6.87
RG18 0.32
ADIM6 0.06
S22 0.44
S66 0.30
HEAVY28 0.23
WATER27 6.79
CARBHB12 0.93
PNICO23 0.74
HAL59 0.59
AHB21 1.30
CHB6 1.84
IL16 0.94
IDISP 2.45
ICONF 0.38
ACONF 0.04
AMINO20x4 0.39
PCONF21 1.04
MCONF 0.49
SCONF 0.44
UPU23 0.46
BUT14DIOL 0.43
Table XLYP-D3BJ
W4-11 7.98
G21EA 3.58
G21IP 4.53
DIPCS10 7.12
PA26 2.86
SIE4x4 25.29
ALKBDE10 7.27
YBDE18 5.93
AL2X6 4.52
HEAVYSB11 7.30
NBPRC 3.53
ALK8 14.31
RC21 4.29
G2RC 6.21
BH76RC 3.10
FH51 4.85
TAUT15 1.62
DC13 16.65
MB16-43 28.77
DARC 12.96
RSE43 2.79
BSR36 1.27
CDIE20 1.20
ISO34 2.77
ISOL24 9.03
C60ISO 8.22
PArel 1.82
BH76 9.62
BHPERI 4.64
BHDIV10 6.76
INV24 2.26
BHROT27 0.45
PX13 7.02
WCPT18 5.22
RG18 0.28
ADIM6 0.12
S22 0.26
S66 0.26
HEAVY28 1.50
WATER27 3.83
CARBHB12 1.28
PNICO23 1.83
HAL59 2.16
AHB21 0.78
CHB6 4.14
IL16 0.59
IDISP 4.58
ICONF 0.38
ACONF 0.13
AMINO20x4 0.30
PCONF21 0.66
MCONF 0.33
SCONF 0.48
UPU23 0.55
BUT14DIOL 0.37
Table mPWLYP-D3BJ
W4-11 10.01
G21EA 3.60
G21IP 4.53
DIPCS10 7.40
PA26 2.34
SIE4x4 25.42
ALKBDE10 7.23
YBDE18 7.95
AL2X6 6.05
HEAVYSB11 3.58
NBPRC 3.92
ALK8 3.42
RC21 4.42
G2RC 5.07
BH76RC 3.11
FH51 4.85
TAUT15 1.66
DC13 17.62
MB16-43 37.52
DARC 15.78
RSE43 3.01
BSR36 5.65
CDIE20 1.37
ISO34 2.84
ISOL24 10.11
C60ISO 9.47
PArel 1.77
BH76 9.86
BHPERI 2.72
BHDIV10 5.98
INV24 2.50
BHROT27 0.42
PX13 8.20
WCPT18 5.80
RG18 0.49
ADIM6 0.19
S22 0.43
S66 0.36
HEAVY28 0.29
WATER27 6.97
CARBHB12 1.27
PNICO23 0.50
HAL59 0.85
AHB21 0.65
CHB6 1.38
IL16 0.95
IDISP 7.17
ICONF 0.44
ACONF 0.19
AMINO20x4 0.32
PCONF21 1.18
MCONF 0.48
SCONF 0.36
UPU23 0.68
BUT14DIOL 0.42
Table PW91P86-D30
W4-11 20.87
G21EA 7.00
G21IP 4.67
DIPCS10 5.45
PA26 1.58
SIE4x4 25.11
ALKBDE10 8.64
YBDE18 5.46
AL2X6 1.64
HEAVYSB11 3.64
NBPRC 2.89
ALK8 1.80
RC21 7.15
G2RC 6.75
BH76RC 3.89
FH51 3.22
TAUT15 1.92
DC13 8.31
MB16-43 18.79
DARC 4.14
RSE43 2.94
BSR36 4.64
CDIE20 1.49
ISO34 1.46
ISOL24 5.40
C60ISO 10.56
PArel 1.85
BH76 11.47
BHPERI 6.96
BHDIV10 8.95
INV24 2.54
BHROT27 0.46
PX13 13.59
WCPT18 10.19
RG18 0.69
ADIM6 0.26
S22 1.07
S66 0.86
HEAVY28 0.86
WATER27 17.43
CARBHB12 2.47
PNICO23 1.64
HAL59 1.84
AHB21 2.07
CHB6 1.08
IL16 1.73
IDISP 4.17
ICONF 0.34
ACONF 0.09
AMINO20x4 0.42
PCONF21 1.31
MCONF 0.54
SCONF 1.20
UPU23 0.69
BUT14DIOL 0.78
Table mPWPW91-D3BJ
W4-11 12.72
G21EA 3.43
G21IP 3.93
DIPCS10 3.76
PA26 3.16
SIE4x4 23.61
ALKBDE10 6.59
YBDE18 4.29
AL2X6 2.69
HEAVYSB11 3.55
NBPRC 2.25
ALK8 6.54
RC21 6.12
G2RC 6.42
BH76RC 3.61
FH51 3.12
TAUT15 1.85
DC13 8.71
MB16-43 27.10
DARC 3.18
RSE43 2.75
BSR36 1.55
CDIE20 1.59
ISO34 1.38
ISOL24 4.20
C60ISO 9.43
PArel 1.74
BH76 9.33
BHPERI 7.05
BHDIV10 8.77
INV24 2.25
BHROT27 0.45
PX13 11.56
WCPT18 8.63
RG18 0.09
ADIM6 0.17
S22 0.33
S66 0.27
HEAVY28 0.84
WATER27 4.59
CARBHB12 1.72
PNICO23 1.55
HAL59 1.42
AHB21 0.92
CHB6 0.93
IL16 0.61
IDISP 2.61
ICONF 0.27
ACONF 0.11
AMINO20x4 0.39
PCONF21 1.02
MCONF 0.47
SCONF 0.97
UPU23 0.52
BUT14DIOL 0.43
Table rPW86PBE-D3BJ
W4-11 9.17
G21EA 5.40
G21IP 4.54
DIPCS10 4.59
PA26 3.08
SIE4x4 23.33
ALKBDE10 6.66
YBDE18 6.50
AL2X6 3.61
HEAVYSB11 2.99
NBPRC 2.96
ALK8 1.77
RC21 4.13
G2RC 4.70
BH76RC 2.98
FH51 4.17
TAUT15 1.73
DC13 15.92
MB16-43 26.56
DARC 12.02
RSE43 2.57
BSR36 5.09
CDIE20 1.52
ISO34 2.35
ISOL24 8.62
C60ISO 9.36
PArel 1.59
BH76 8.88
BHPERI 3.67
BHDIV10 6.52
INV24 2.37
BHROT27 0.41
PX13 7.47
WCPT18 5.93
RG18 0.11
ADIM6 0.35
S22 0.33
S66 0.33
HEAVY28 0.43
WATER27 6.92
CARBHB12 1.54
PNICO23 0.96
HAL59 1.11
AHB21 0.82
CHB6 0.86
IL16 0.31
IDISP 5.07
ICONF 0.39
ACONF 0.12
AMINO20x4 0.29
PCONF21 0.84
MCONF 0.37
SCONF 0.57
UPU23 0.63
BUT14DIOL 0.42
Table B97-D3BJ
W4-11 4.73
G21EA 2.34
G21IP 3.47
DIPCS10 5.00
PA26 6.12
SIE4x4 24.50
ALKBDE10 5.10
YBDE18 5.30
AL2X6 4.99
HEAVYSB11 4.05
NBPRC 3.03
ALK8 2.61
RC21 3.75
G2RC 4.90
BH76RC 2.84
FH51 3.71
TAUT15 1.61
DC13 14.13
MB16-43 36.10
DARC 10.73
RSE43 2.95
BSR36 2.90
CDIE20 1.48
ISO34 2.17
ISOL24 7.90
C60ISO 8.63
PArel 1.49
BH76 7.29
BHPERI 3.95
BHDIV10 5.83
INV24 1.80
BHROT27 0.40
PX13 7.80
WCPT18 5.39
RG18 0.10
ADIM6 0.37
S22 0.38
S66 0.29
HEAVY28 0.31
WATER27 2.71
CARBHB12 1.01
PNICO23 0.68
HAL59 0.67
AHB21 0.74
CHB6 1.81
IL16 0.79
IDISP 4.58
ICONF 0.40
ACONF 0.07
AMINO20x4 0.36
PCONF21 0.83
MCONF 0.38
SCONF 0.45
UPU23 0.53
BUT14DIOL 0.30
Table HCTH407-D3BJ
W4-11 8.93
G21EA 4.68
G21IP 4.83
DIPCS10 6.47
PA26 5.78
SIE4x4 24.20
ALKBDE10 9.06
YBDE18 4.69
AL2X6 11.75
HEAVYSB11 13.91
NBPRC 3.78
ALK8 21.56
RC21 6.19
G2RC 8.47
BH76RC 3.00
FH51 3.73
TAUT15 1.67
DC13 13.70
MB16-43 76.52
DARC 3.76
RSE43 3.15
BSR36 1.13
CDIE20 1.84
ISO34 1.84
ISOL24 5.40
C60ISO 6.06
PArel 1.69
BH76 7.14
BHPERI 4.61
BHDIV10 6.93
INV24 2.87
BHROT27 0.70
PX13 6.09
WCPT18 5.80
RG18 1.26
ADIM6 1.38
S22 0.61
S66 0.63
HEAVY28 1.33
WATER27 1.47
CARBHB12 1.68
PNICO23 1.97
HAL59 1.70
AHB21 1.01
CHB6 3.85
IL16 0.57
IDISP 5.12
ICONF 0.65
ACONF 0.41
AMINO20x4 0.42
PCONF21 1.43
MCONF 0.47
SCONF 0.93
UPU23 0.55
BUT14DIOL 0.52
Table N12-D30
W4-11 7.33
G21EA 3.53
G21IP 4.87
DIPCS10 7.78
PA26 3.85
SIE4x4 21.63
ALKBDE10 6.83
YBDE18 4.00
AL2X6 1.42
HEAVYSB11 5.78
NBPRC 2.11
ALK8 4.89
RC21 7.33
G2RC 6.36
BH76RC 3.72
FH51 2.67
TAUT15 2.34
DC13 7.77
MB16-43 30.46
DARC 1.89
RSE43 2.54
BSR36 1.65
CDIE20 1.49
ISO34 1.29
ISOL24 3.55
C60ISO 9.30
PArel 1.61
BH76 7.96
BHPERI 5.47
BHDIV10 7.47
INV24 2.63
BHROT27 0.80
PX13 8.69
WCPT18 6.93
RG18 0.30
ADIM6 0.28
S22 0.87
S66 0.66
HEAVY28 0.26
WATER27 9.02
CARBHB12 1.75
PNICO23 0.78
HAL59 0.88
AHB21 1.79
CHB6 1.64
IL16 1.81
IDISP 2.86
ICONF 0.55
ACONF 0.13
AMINO20x4 0.49
PCONF21 0.89
MCONF 0.57
SCONF 1.39
UPU23 0.56
BUT14DIOL 0.74
Table VV10
W4-11 10.50
G21EA 3.88
G21IP 4.04
DIPCS10 4.00
PA26 2.37
SIE4x4 23.37
ALKBDE10 6.93
YBDE18 6.12
AL2X6 2.74
HEAVYSB11 3.02
NBPRC 2.41
ALK8 1.98
RC21 4.62
G2RC 5.11
BH76RC 3.13
FH51 3.79
TAUT15 1.73
DC13 12.94
MB16-43 21.22
DARC 8.72
RSE43 2.55
BSR36 3.46
CDIE20 1.45
ISO34 2.03
ISOL24 6.82
C60ISO 10.87
PArel 1.42
BH76 9.35
BHPERI 4.71
BHDIV10 7.10
INV24 2.35
BHROT27 0.43
PX13 8.56
WCPT18 6.81
RG18 0.14
ADIM6 0.39
S22 0.38
S66 0.43
HEAVY28 0.39
WATER27 10.21
CARBHB12 1.64
PNICO23 1.05
HAL59 1.41
AHB21 1.17
CHB6 0.55
IL16 0.73
IDISP 3.94
ICONF 0.32
ACONF 0.13
AMINO20x4 0.31
PCONF21 0.74
MCONF 0.42
SCONF 0.99
UPU23 0.42
BUT14DIOL 0.67
Table PKZB-D30
W4-11 7.47
G21EA 2.15
G21IP 4.32
DIPCS10 8.69
PA26 6.90
SIE4x4 23.94
ALKBDE10 5.78
YBDE18 4.07
AL2X6 4.78
HEAVYSB11 3.86
NBPRC 3.61
ALK8 11.32
RC21 7.46
G2RC 8.78
BH76RC 4.04
FH51 4.07
TAUT15 1.35
DC13 10.17
MB16-43 32.60
DARC 4.86
RSE43 2.87
BSR36 8.14
CDIE20 1.24
ISO34 2.03
ISOL24 3.64
C60ISO 10.03
PArel 2.16
BH76 9.03
BHPERI 8.98
BHDIV10 8.96
INV24 2.08
BHROT27 0.65
PX13 5.57
WCPT18 9.33
RG18 0.29
ADIM6 1.45
S22 0.45
S66 0.44
HEAVY28 0.46
WATER27 1.55
CARBHB12 0.75
PNICO23 0.78
HAL59 0.90
AHB21 1.24
CHB6 2.99
IL16 0.99
IDISP 6.15
ICONF 0.81
ACONF 0.52
AMINO20x4 0.53
PCONF21 1.26
MCONF 0.81
SCONF 1.36
UPU23 0.61
BUT14DIOL 0.34
Table TPSS-D3BJ
W4-11 5.91
G21EA 2.20
G21IP 3.95
DIPCS10 3.69
PA26 4.87
SIE4x4 21.91
ALKBDE10 4.16
YBDE18 4.67
AL2X6 2.24
HEAVYSB11 2.57
NBPRC 1.46
ALK8 3.73
RC21 4.44
G2RC 7.11
BH76RC 3.57
FH51 4.30
TAUT15 1.63
DC13 8.91
MB16-43 25.88
DARC 5.42
RSE43 1.97
BSR36 4.32
CDIE20 1.67
ISO34 2.31
ISOL24 5.84
C60ISO 8.40
PArel 1.54
BH76 9.22
BHPERI 5.51
BHDIV10 6.90
INV24 1.79
BHROT27 0.53
PX13 8.92
WCPT18 6.34
RG18 0.13
ADIM6 0.16
S22 0.32
S66 0.29
HEAVY28 0.35
WATER27 4.43
CARBHB12 1.42
PNICO23 1.11
HAL59 0.99
AHB21 0.67
CHB6 0.94
IL16 0.34
IDISP 3.22
ICONF 0.19
ACONF 0.09
AMINO20x4 0.34
PCONF21 1.08
MCONF 0.42
SCONF 1.05
UPU23 0.49
BUT14DIOL 0.28
Table revTPSS-D3BJ
W4-11 5.70
G21EA 2.32
G21IP 3.99
DIPCS10 4.45
PA26 4.65
SIE4x4 21.33
ALKBDE10 4.23
YBDE18 3.86
AL2X6 2.42
HEAVYSB11 2.75
NBPRC 1.62
ALK8 2.87
RC21 5.07
G2RC 10.36
BH76RC 4.72
FH51 5.19
TAUT15 1.31
DC13 8.25
MB16-43 36.75
DARC 3.09
RSE43 1.73
BSR36 2.25
CDIE20 1.49
ISO34 2.84
ISOL24 4.93
C60ISO 9.51
PArel 1.53
BH76 8.88
BHPERI 6.14
BHDIV10 6.21
INV24 1.49
BHROT27 0.51
PX13 6.25
WCPT18 5.50
RG18 0.06
ADIM6 0.12
S22 0.27
S66 0.20
HEAVY28 0.34
WATER27 3.48
CARBHB12 0.99
PNICO23 1.15
HAL59 1.00
AHB21 0.47
CHB6 0.80
IL16 0.55
IDISP 3.34
ICONF 0.23
ACONF 0.14
AMINO20x4 0.27
PCONF21 0.71
MCONF 0.55
SCONF 1.24
UPU23 0.33
BUT14DIOL 0.18
Table SCAN-D3BJ
W4-11 4.08
G21EA 3.64
G21IP 4.69
DIPCS10 4.92
PA26 3.18
SIE4x4 17.99
ALKBDE10 19.27
YBDE18 3.12
AL2X6 2.13
HEAVYSB11 6.64
NBPRC 2.51
ALK8 3.45
RC21 6.69
G2RC 6.39
BH76RC 3.38
FH51 2.75
TAUT15 1.74
DC13 6.87
MB16-43 17.77
DARC 2.01
RSE43 1.29
BSR36 1.28
CDIE20 1.45
ISO34 1.30
ISOL24 3.23
C60ISO 6.01
PArel 1.50
BH76 7.77
BHPERI 5.50
BHDIV10 6.62
INV24 1.16
BHROT27 0.84
PX13 8.34
WCPT18 6.22
RG18 0.18
ADIM6 0.12
S22 0.47
S66 0.43
HEAVY28 0.27
WATER27 10.15
CARBHB12 1.38
PNICO23 1.08
HAL59 1.03
AHB21 1.67
CHB6 0.45
IL16 0.98
IDISP 2.05
ICONF 0.31
ACONF 0.13
AMINO20x4 0.22
PCONF21 0.47
MCONF 0.46
SCONF 0.66
UPU23 0.39
BUT14DIOL 0.40
Table HCTH-D3BJ
W4-11 5.91
G21EA 3.03
G21IP 4.06
DIPCS10 4.23
PA26 5.58
SIE4x4 23.42
ALKBDE10 7.85
YBDE18 2.76
AL2X6 9.81
HEAVYSB11 13.37
NBPRC 2.85
ALK8 18.55
RC21 5.11
G2RC 6.86
BH76RC 2.66
FH51 3.37
TAUT15 1.73
DC13 10.97
MB16-43 49.41
DARC 4.43
RSE43 3.12
BSR36 2.80
CDIE20 1.83
ISO34 1.67
ISOL24 5.73
C60ISO 7.23
PArel 1.68
BH76 7.64
BHPERI 6.17
BHDIV10 7.83
INV24 2.37
BHROT27 0.55
PX13 9.97
WCPT18 6.82
RG18 0.57
ADIM6 0.24
S22 0.55
S66 0.40
HEAVY28 1.87
WATER27 4.37
CARBHB12 2.00
PNICO23 2.59
HAL59 2.36
AHB21 1.38
CHB6 4.39
IL16 0.94
IDISP 4.52
ICONF 0.46
ACONF 0.14
AMINO20x4 0.39
PCONF21 1.53
MCONF 0.44
SCONF 0.48
UPU23 0.57
BUT14DIOL 0.32
Table M06L-D30
W4-11 4.46
G21EA 3.80
G21IP 4.46
DIPCS10 8.42
PA26 5.11
SIE4x4 17.96
ALKBDE10 5.59
YBDE18 4.82
AL2X6 0.62
HEAVYSB11 2.56
NBPRC 3.97
ALK8 3.70
RC21 3.11
G2RC 5.90
BH76RC 2.92
FH51 2.64
TAUT15 1.44
DC13 10.41
MB16-43a 63.27
DARC 8.07
RSE43 2.67
BSR36 5.09
CDIE20 2.22
ISO34 2.32
ISOL24 6.52
C60ISO 7.07
PArel 1.62
BH76 3.93
BHPERI 1.86
BHDIV10 3.08
INV24 1.46
BHROT27 0.98
PX13 0.94
WCPT18 2.10
RG18 0.32
ADIM6 0.94
S22 0.44
S66 0.35
HEAVY28 0.53
WATER27 1.11
CARBHB12 0.44
PNICO23 0.33
HAL59 0.49
AHB21 0.49
CHB6 1.90
IL16 0.75
IDISP 6.33
ICONF 0.30
ACONF 0.50
AMINO20x4 0.35
PCONF21 1.28
MCONF 0.90
SCONF 0.42
UPU23 0.73
BUT14DIOL 0.22
Table M11L-D30
W4-11 6.46
G21EA 5.66
G21IP 3.87
DIPCS10 7.37
PA26 4.22
SIE4x4 11.54
ALKBDE10 10.78
YBDE18 4.80
AL2X6 6.09
HEAVYSB11 2.62
NBPRC 3.84
ALK8 9.52
RC21 2.16
G2RC 5.83
BH76RC 3.27
FH51 2.10
TAUT15 1.29
DC13 8.18
MB16-43 41.68
DARC 2.30
RSE43 2.25
BSR36 0.54
CDIE20 1.58
ISO34 1.20
ISOL24 3.51
C60ISO 6.85
PArel 2.41
BH76 2.26
BHPERI 2.01
BHDIV10 3.32
INV24 2.04
BHROT27 0.64
PX13 1.88
WCPT18 2.28
RG18 1.29
ADIM6 1.44
S22 0.73
S66 0.73
HEAVY28 0.41
WATER27 6.14
CARBHB12 0.95
PNICO23 0.46
HAL59 0.81
AHB21 1.17
CHB6 0.71
IL16 1.17
IDISP 4.51
ICONF 0.46
ACONF 0.17
AMINO20x4 0.55
PCONF21 1.88
MCONF 0.86
SCONF 0.35
UPU23 1.39
BUT14DIOL 0.36
Table MN12L-D3BJ
W4-11 4.17
G21EA 3.41
G21IP 4.65
DIPCS10 14.64
PA26 3.14
SIE4x4 9.26
ALKBDE10 7.60
YBDE18 6.53
AL2X6 3.44
HEAVYSB11 6.79
NBPRC 2.35
ALK8 8.90
RC21 2.23
G2RC 6.61
BH76RC 2.35
FH51 2.32
TAUT15 2.13
DC13 7.91
MB16-43 20.89
DARC 4.74
RSE43 2.33
BSR36 1.27
CDIE20 1.83
ISO34 1.40
ISOL24 4.08
C60ISO 3.40
PArel 2.01
BH76 1.75
BHPERI 2.30
BHDIV10 2.03
INV24 2.10
BHROT27 1.16
PX13 4.55
WCPT18 1.52
RG18 0.88
ADIM6 1.08
S22 1.01
S66 0.79
HEAVY28 0.52
WATER27 9.82
CARBHB12 0.76
PNICO23 0.25
HAL59 0.61
AHB21 1.35
CHB6 0.64
IL16 1.25
IDISP 7.08
ICONF 0.58
ACONF 0.75
AMINO20x4 0.79
PCONF21 3.18
MCONF 1.65
SCONF 0.62
UPU23 0.98
BUT14DIOL 0.64
Table MN15L-D30
W4-11 3.41
G21EA 2.40
G21IP 3.46
DIPCS10 10.46
PA26 2.25
SIE4x4 10.99
ALKBDE10 4.48
YBDE18 4.20
AL2X6 1.35
HEAVYSB11 6.47
NBPRC 1.93
ALK8 3.23
RC21 2.00
G2RC 6.73
BH76RC 2.43
FH51 2.55
TAUT15 0.70
DC13 7.83
MB16-43 20.42
DARC 2.78
RSE43 1.23
BSR36 3.55
CDIE20 1.78
ISO34 1.88
ISOL24 3.55
C60ISO 5.94
PArel 2.19
BH76 1.81
BHPERI 1.78
BHDIV10 2.08
INV24 2.02
BHROT27 0.87
PX13 6.38
WCPT18 1.81
RG18 0.17
ADIM6 3.88
S22 1.82
S66 1.66
HEAVY28 0.58
WATER27 12.00
CARBHB12 1.20
PNICO23 0.40
HAL59 0.59
AHB21 2.29
CHB6 0.64
IL16 2.40
IDISP 7.54
ICONF 0.53
ACONF 0.69
AMINO20x4 0.92
PCONF21 4.10
MCONF 1.60
SCONF 0.92
UPU23 1.67
BUT14DIOL 1.10
Table B3LYP-D3BJ
W4-11 3.40
G21EA 1.91
G21IP 3.55
DIPCS10 4.73
PA26 2.87
SIE4x4 18.06
ALKBDE10 4.39
YBDE18 4.72
AL2X6 2.71
HEAVYSB11 3.30
NBPRC 2.00
ALK8 2.48
RC21 2.44
G2RC 2.73
BH76RC 2.25
FH51 2.61
TAUT15 1.16
DC13 10.57
MB16-43 24.84
DARC 8.03
RSE43 1.72
BSR36 3.35
CDIE20 1.00
ISO34 1.78
ISOL24 5.80
C60ISO 2.22
PArel 1.18
BH76 5.70
BHPERI 1.18
BHDIV10 3.22
INV24 1.05
BHROT27 0.41
PX13 4.33
WCPT18 2.27
RG18 0.13
ADIM6 0.11
S22 0.31
S66 0.26
HEAVY28 0.34
WATER27 4.07
CARBHB12 0.88
PNICO23 0.48
HAL59 0.57
AHB21 0.33
CHB6 1.41
IL16 0.76
IDISP 3.57
ICONF 0.29
ACONF 0.05
AMINO20x4 0.21
PCONF21 0.53
MCONF 0.22
SCONF 0.30
UPU23 0.61
BUT14DIOL 0.31
Table B3LYP-NL
W4-11 3.84
G21EA 2.47
G21IP 4.46
DIPCS10 8.24
PA26 1.64
SIE4x4 18.10
ALKBDE10 4.29
YBDE18 4.12
AL2X6 2.97
HEAVYSB11 2.56
NBPRC 1.71
ALK8 3.37
RC21 3.33
G2RC 3.14
BH76RC 2.28
FH51 2.34
TAUT15 1.15
DC13 8.55
MB16-43 23.47
DARC 4.80
RSE43 1.69
BSR36 2.70
CDIE20 0.92
ISO34 1.43
ISOL24 4.02
C60ISO 2.77
PArel 0.95
BH76 6.01
BHPERI 1.58
BHDIV10 3.72
INV24 0.99
BHROT27 0.43
PX13 5.84
WCPT18 3.24
RG18 0.11
ADIM6 0.17
S22 0.48
S66 0.43
HEAVY28 0.26
WATER27 7.34
CARBHB12 0.83
PNICO23 0.37
HAL59 0.63
AHB21 0.72
CHB6 1.00
IL16 0.31
IDISP 2.91
ICONF 0.25
ACONF 0.06
AMINO20x4 0.21
PCONF21 0.36
MCONF 0.19
SCONF 0.57
UPU23 0.43
BUT14DIOL 0.53
Table B3PW91-D3BJ
W4-11 3.32
G21EA 2.14
G21IP 3.64
DIPCS10 3.13
PA26 4.14
SIE4x4 16.47
ALKBDE10 5.13
YBDE18 1.67
AL2X6 1.85
HEAVYSB11 1.18
NBPRC 2.12
ALK8 4.43
RC21 4.45
G2RC 5.11
BH76RC 2.04
FH51 2.08
TAUT15 1.27
DC13 5.45
MB16-43 15.80
DARC 1.76
RSE43 1.54
BSR36 1.70
CDIE20 1.23
ISO34 1.10
ISOL24 2.19
C60ISO 2.47
PArel 1.19
BH76 4.88
BHPERI 3.53
BHDIV10 5.06
INV24 1.14
BHROT27 0.52
PX13 6.80
WCPT18 4.15
RG18 0.43
ADIM6 0.24
S22 0.44
S66 0.29
HEAVY28 0.34
WATER27 1.40
CARBHB12 1.04
PNICO23 0.89
HAL59 0.70
AHB21 0.63
CHB6 0.76
IL16 0.39
IDISP 1.69
ICONF 0.25
ACONF 0.17
AMINO20x4 0.33
PCONF21 0.72
MCONF 0.49
SCONF 0.51
UPU23 0.59
BUT14DIOL 0.22
Table B3P86-D3BJ
W4-11 6.52
G21EA 3.37
G21IP 3.86
DIPCS10 3.88
PA26 2.83
SIE4x4 17.47
ALKBDE10 4.27
YBDE18 2.17
AL2X6 0.66
HEAVYSB11 1.48
NBPRC 1.72
ALK8 1.79
RC21 4.49
G2RC 5.08
BH76RC 2.60
FH51 2.12
TAUT15 1.28
DC13 5.75
MB16-43 13.91
DARC 2.04
RSE43 1.67
BSR36 2.70
CDIE20 1.22
ISO34 1.10
ISOL24 2.77
C60ISO 2.46
PArel 1.23
BH76 5.91
BHPERI 3.04
BHDIV10 5.06
INV24 1.11
BHROT27 0.50
PX13 7.81
WCPT18 4.66
RG18 0.48
ADIM6 0.15
S22 0.43
S66 0.28
HEAVY28 0.25
WATER27 4.19
CARBHB12 1.16
PNICO23 0.78
HAL59 0.68
AHB21 0.79
CHB6 0.49
IL16 0.34
IDISP 1.83
ICONF 0.27
ACONF 0.09
AMINO20x4 0.32
PCONF21 0.83
MCONF 0.39
SCONF 0.55
UPU23 0.58
BUT14DIOL 0.36
Table BHLYP-D3BJ
W4-11 20.20
G21EA 5.34
G21IP 4.53
DIPCS10 7.12
PA26 3.75
SIE4x4 7.45
ALKBDE10 13.11
YBDE18 5.64
AL2X6 1.56
HEAVYSB11 5.88
NBPRC 2.39
ALK8 4.23
RC21 2.55
G2RC 4.29
BH76RC 3.90
FH51 1.96
TAUT15 0.57
DC13 9.55
MB16-43 31.73
DARC 2.80
RSE43 0.48
BSR36 4.47
CDIE20 0.63
ISO34 1.24
ISOL24 3.56
C60ISO 13.09
PArel 1.14
BH76 3.37
BHPERI 4.18
BHDIV10 2.68
INV24 2.17
BHROT27 0.59
PX13 2.08
WCPT18 3.55
RG18 0.06
ADIM6 0.05
S22 0.53
S66 0.40
HEAVY28 0.26
WATER27 4.12
CARBHB12 0.60
PNICO23 0.33
HAL59 0.29
AHB21 0.91
CHB6 2.44
IL16 1.06
IDISP 3.88
ICONF 0.43
ACONF 0.13
AMINO20x4 0.24
PCONF21 0.31
MCONF 0.14
SCONF 0.41
UPU23 0.73
BUT14DIOL 0.12
Table B1P86-D3BJ
W4-11 4.81
G21EA 2.75
G21IP 3.78
DIPCS10 3.67
PA26 3.03
SIE4x4 15.38
ALKBDE10 5.28
YBDE18 2.03
AL2X6 0.90
HEAVYSB11 2.10
NBPRC 2.13
ALK8 1.81
RC21 4.54
G2RC 5.51
BH76RC 2.73
FH51 2.23
TAUT15 1.12
DC13 5.45
MB16-43 13.99
DARC 1.88
RSE43 1.30
BSR36 2.68
CDIE20 1.14
ISO34 1.17
ISOL24 2.06
C60ISO 2.67
PArel 1.14
BH76 4.98
BHPERI 2.69
BHDIV10 4.52
INV24 1.17
BHROT27 0.52
PX13 6.96
WCPT18 3.92
RG18 0.57
ADIM6 0.19
S22 0.44
S66 0.28
HEAVY28 0.22
WATER27 3.44
CARBHB12 1.08
PNICO23 0.75
HAL59 0.61
AHB21 0.83
CHB6 0.50
IL16 0.36
IDISP 1.30
ICONF 0.28
ACONF 0.10
AMINO20x4 0.31
PCONF21 0.76
MCONF 0.41
SCONF 0.50
UPU23 0.59
BUT14DIOL 0.31
Table B1LYP-D3BJ
W4-11 7.32
G21EA 2.60
G21IP 4.23
DIPCS10 6.27
PA26 2.96
SIE4x4 16.07
ALKBDE10 4.64
YBDE18 4.78
AL2X6 0.90
HEAVYSB11 2.67
NBPRC 2.17
ALK8 5.98
RC21 2.18
G2RC 2.60
BH76RC 2.26
FH51 2.49
TAUT15 0.97
DC13 9.91
MB16-43 15.52
DARC 7.80
RSE43 1.34
BSR36 3.22
CDIE20 0.91
ISO34 1.80
ISOL24 5.62
C60ISO 2.94
PArel 1.11
BH76 4.33
BHPERI 0.94
BHDIV10 2.32
INV24 1.04
BHROT27 0.40
PX13 2.52
WCPT18 1.60
RG18 0.15
ADIM6 0.06
S22 0.31
S66 0.24
HEAVY28 1.02
WATER27 2.11
CARBHB12 0.75
PNICO23 0.84
HAL59 0.99
AHB21 0.30
CHB6 2.61
IL16 0.89
IDISP 3.22
ICONF 0.34
ACONF 0.10
AMINO20x4 0.22
PCONF21 0.37
MCONF 0.23
SCONF 0.28
UPU23 0.66
BUT14DIOL 0.21
Table B1B95-D3BJ
W4-11 3.33
G21EA 2.01
G21IP 2.91
DIPCS10 5.37
PA26 2.70
SIE4x4 16.29
ALKBDE10 4.35
YBDE18 2.69
AL2X6 3.04
HEAVYSB11 2.16
NBPRC 1.33
ALK8 7.76
RC21 3.67
G2RC 3.94
BH76RC 1.65
FH51 1.65
TAUT15 0.96
DC13 7.16
MB16-43 24.87
DARC 1.55
RSE43 2.30
BSR36 1.28
CDIE20 1.24
ISO34 1.27
ISOL24 2.16
C60ISO 2.43
PArel 1.14
BH76 3.80
BHPERI 2.31
BHDIV10 4.04
INV24 1.15
BHROT27 0.58
PX13 3.32
WCPT18 2.73
RG18 0.42
ADIM6 0.40
S22 0.59
S66 0.44
HEAVY28 0.35
WATER27 6.46
CARBHB12 0.38
PNICO23 0.52
HAL59 0.58
AHB21 0.59
CHB6 1.42
IL16 1.22
IDISP 2.36
ICONF 0.34
ACONF 0.37
AMINO20x4 0.40
PCONF21 0.74
MCONF 0.62
SCONF 0.48
UPU23 0.62
BUT14DIOL 0.30
Table MPW1B95-D3BJ
W4-11 2.78
G21EA 2.10
G21IP 2.80
DIPCS10 3.91
PA26 2.10
SIE4x4 14.30
ALKBDE10 4.58
YBDE18 2.40
AL2X6 1.77
HEAVYSB11 1.32
NBPRC 1.60
ALK8 5.54
RC21 3.82
G2RC 4.28
BH76RC 1.77
FH51 1.51
TAUT15 0.93
DC13 7.46
MB16-43 15.60
DARC 1.74
RSE43 2.06
BSR36 2.46
CDIE20 1.17
ISO34 1.36
ISOL24 2.36
C60ISO 2.82
PArel 1.07
BH76 3.13
BHPERI 1.56
BHDIV10 3.02
INV24 1.23
BHROT27 0.64
PX13 2.47
WCPT18 2.02
RG18 0.20
ADIM6 0.30
S22 0.32
S66 0.22
HEAVY28 0.17
WATER27 2.83
CARBHB12 0.38
PNICO23 0.34
HAL59 0.41
AHB21 0.50
CHB6 1.71
IL16 1.10
IDISP 1.64
ICONF 0.28
ACONF 0.21
AMINO20x4 0.36
PCONF21 0.58
MCONF 0.44
SCONF 0.26
UPU23 0.62
BUT14DIOL 0.30
Table PW6B95-D3BJ
W4-11 2.50
G21EA 1.27
G21IP 2.77
DIPCS10 2.74
PA26 2.52
SIE4x4 15.36
ALKBDE10 3.96
YBDE18 3.26
AL2X6 0.61
HEAVYSB11 1.38
NBPRC 1.46
ALK8 4.48
RC21 2.83
G2RC 3.08
BH76RC 1.48
FH51 1.67
TAUT15 0.88
DC13 6.90
MB16-43 8.97
DARC 3.66
RSE43 2.16
BSR36 3.20
CDIE20 1.14
ISO34 1.28
ISOL24 3.67
C60ISO 1.65
PArel 0.95
BH76 4.02
BHPERI 1.06
BHDIV10 2.62
INV24 1.15
BHROT27 0.56
PX13 1.45
WCPT18 1.39
RG18 0.22
ADIM6 0.32
S22 0.32
S66 0.19
HEAVY28 0.17
WATER27 2.19
CARBHB12 0.38
PNICO23 0.25
HAL59 0.34
AHB21 0.37
CHB6 1.51
IL16 1.28
IDISP 2.90
ICONF 0.23
ACONF 0.13
AMINO20x4 0.32
PCONF21 0.51
MCONF 0.37
SCONF 0.19
UPU23 0.58
BUT14DIOL 0.34
Table MPWB1K-D3BJ
W4-11 6.89
G21EA 3.57
G21IP 3.10
DIPCS10 4.20
PA26 2.56
SIE4x4 9.72
ALKBDE10 7.79
YBDE18 1.23
AL2X6 2.84
HEAVYSB11 0.45
NBPRC 2.45
ALK8 6.34
RC21 4.10
G2RC 5.38
BH76RC 2.45
FH51 2.19
TAUT15 0.89
DC13 8.77
MB16-43 18.01
DARC 3.93
RSE43 1.37
BSR36 2.47
CDIE20 1.02
ISO34 1.55
ISOL24 2.44
C60ISO 7.69
PArel 1.20
BH76 1.44
BHPERI 1.65
BHDIV10 1.72
INV24 1.93
BHROT27 0.73
PX13 0.57
WCPT18 0.91
RG18 0.19
ADIM6 0.39
S22 0.30
S66 0.20
HEAVY28 0.24
WATER27 2.41
CARBHB12 0.35
PNICO23 0.35
HAL59 0.39
AHB21 0.75
CHB6 2.29
IL16 0.96
IDISP 1.66
ICONF 0.40
ACONF 0.27
AMINO20x4 0.41
PCONF21 0.66
MCONF 0.48
SCONF 0.20
UPU23 0.67
BUT14DIOL 0.35
Table mPW1LYP-D30
W4-11 6.28
G21EA 2.24
G21IP 4.08
DIPCS10 5.98
PA26 2.27
SIE4x4 16.37
ALKBDE10 4.61
YBDE18 5.66
AL2X6 4.40
HEAVYSB11 5.63
NBPRC 3.40
ALK8 3.61
RC21 2.36
G2RC 2.63
BH76RC 2.16
FH51 2.34
TAUT15 1.05
DC13 11.91
MB16-43 37.86
DARC 9.57
RSE43 1.17
BSR36 6.56
CDIE20 0.82
ISO34 1.87
ISOL24 6.47
C60ISO 2.30
PArel 1.16
BH76 4.82
BHPERI 1.43
BHDIV10 2.29
INV24 0.95
BHROT27 0.41
PX13 2.63
WCPT18 1.98
RG18 0.59
ADIM6 0.33
S22 0.74
S66 0.65
HEAVY28 0.53
WATER27 8.20
CARBHB12 1.08
PNICO23 0.40
HAL59 0.61
AHB21 0.68
CHB6 1.80
IL16 0.74
IDISP 6.18
ICONF 0.53
ACONF 0.10
AMINO20x4 0.21
PCONF21 0.24
MCONF 0.31
SCONF 0.29
UPU23 0.59
BUT14DIOL 0.20
Table MPW1PW91-D3BJ
W4-11 3.95
G21EA 2.66
G21IP 3.73
DIPCS10 3.01
PA26 3.78
SIE4x4 14.31
ALKBDE10 5.79
YBDE18 1.25
AL2X6 2.28
HEAVYSB11 0.96
NBPRC 2.78
ALK8 5.92
RC21 4.78
G2RC 5.97
BH76RC 2.15
FH51 2.38
TAUT15 1.12
DC13 6.90
MB16-43 16.40
DARC 3.10
RSE43 1.26
BSR36 2.72
CDIE20 1.18
ISO34 1.24
ISOL24 1.88
C60ISO 2.82
PArel 1.12
BH76 4.18
BHPERI 3.21
BHDIV10 4.59
INV24 1.21
BHROT27 0.56
PX13 6.04
WCPT18 3.65
RG18 0.07
ADIM6 0.20
S22 0.37
S66 0.28
HEAVY28 0.56
WATER27 2.64
CARBHB12 1.27
PNICO23 1.06
HAL59 0.74
AHB21 0.99
CHB6 1.36
IL16 0.34
IDISP 1.24
ICONF 0.25
ACONF 0.09
AMINO20x4 0.29
PCONF21 0.77
MCONF 0.30
SCONF 0.34
UPU23 0.61
BUT14DIOL 0.18
Table PW1PW-D30
W4-11 3.28
G21EA 2.46
G21IP 3.68
DIPCS10 3.09
PA26 2.82
SIE4x4 14.55
ALKBDE10 5.24
YBDE18 1.21
AL2X6 1.04
HEAVYSB11 1.77
NBPRC 3.16
ALK8 3.31
RC21 5.27
G2RC 6.42
BH76RC 2.35
FH51 2.83
TAUT15 1.15
DC13 7.33
MB16-43 14.25
DARC 2.33
RSE43 1.25
BSR36 4.83
CDIE20 1.12
ISO34 1.30
ISOL24 2.30
C60ISO 2.41
PArel 1.09
BH76 4.70
BHPERI 2.82
BHDIV10 4.38
INV24 1.09
BHROT27 0.58
PX13 6.43
WCPT18 4.18
RG18 0.45
ADIM6 0.21
S22 0.79
S66 0.59
HEAVY28 0.44
WATER27 8.64
CARBHB12 1.62
PNICO23 0.79
HAL59 0.69
AHB21 1.57
CHB6 1.50
IL16 0.77
IDISP 2.91
ICONF 0.35
ACONF 0.07
AMINO20x4 0.23
PCONF21 0.83
MCONF 0.27
SCONF 0.39
UPU23 0.54
BUT14DIOL 0.20
Table MPW1KCIS-D3BJ
W4-11 10.57
G21EA 1.75
G21IP 3.34
DIPCS10 4.21
PA26 2.72
SIE4x4 19.32
ALKBDE10 4.32
YBDE18 3.04
AL2X6 6.14
HEAVYSB11 7.80
NBPRC 3.37
ALK8 16.24
RC21 5.33
G2RC 6.12
BH76RC 2.73
FH51 2.36
TAUT15 1.35
DC13 7.74
MB16-43 50.67
DARC 1.88
RSE43 2.44
BSR36 0.41
CDIE20 1.37
ISO34 1.31
ISOL24 3.14
C60ISO 3.62
PArel 1.29
BH76 6.58
BHPERI 4.56
BHDIV10 6.81
INV24 1.55
BHROT27 0.50
PX13 7.27
WCPT18 5.57
RG18 0.17
ADIM6 0.25
S22 0.26
S66 0.23
HEAVY28 1.18
WATER27 2.04
CARBHB12 1.45
PNICO23 1.74
HAL59 1.49
AHB21 0.81
CHB6 3.22
IL16 0.50
IDISP 1.56
ICONF 0.35
ACONF 0.04
AMINO20x4 0.27
PCONF21 0.80
MCONF 0.32
SCONF 0.30
UPU23 0.53
BUT14DIOL 0.21
Table MPWKCIS1K-D3BJ
W4-11 7.54
G21EA 3.40
G21IP 3.45
DIPCS10 3.67
PA26 3.31
SIE4x4 9.88
ALKBDE10 7.42
YBDE18 2.17
AL2X6 4.27
HEAVYSB11 2.86
NBPRC 3.47
ALK8 13.10
RC21 4.79
G2RC 7.49
BH76RC 2.43
FH51 3.23
TAUT15 0.85
DC13 9.06
MB16-43 32.75
DARC 5.45
RSE43 1.12
BSR36 1.63
CDIE20 1.08
ISO34 1.68
ISOL24 2.70
C60ISO 8.48
PArel 1.08
BH76 2.16
BHPERI 1.80
BHDIV10 2.67
INV24 2.10
BHROT27 0.65
PX13 1.78
WCPT18 1.78
RG18 0.12
ADIM6 0.26
S22 0.34
S66 0.28
HEAVY28 1.05
WATER27 1.20
CARBHB12 1.08
PNICO23 1.18
HAL59 0.84
AHB21 1.05
CHB6 3.10
IL16 0.47
IDISP 2.46
ICONF 0.35
ACONF 0.10
AMINO20x4 0.30
PCONF21 0.56
MCONF 0.17
SCONF 0.39
UPU23 0.64
BUT14DIOL 0.13
Table PBE0-D3BJ
W4-11 3.70
G21EA 2.62
G21IP 3.68
DIPCS10 2.99
PA26 2.88
SIE4x4 14.39
ALKBDE10 5.66
YBDE18 0.98
AL2X6 1.48
HEAVYSB11 1.37
NBPRC 3.18
ALK8 4.61
RC21 5.50
G2RC 6.75
BH76RC 2.46
FH51 2.77
TAUT15 1.13
DC13 8.01
MB16-43 15.86
DARC 3.76
RSE43 1.45
BSR36 3.25
CDIE20 1.24
ISO34 1.42
ISOL24 2.11
C60ISO 2.35
PArel 1.21
BH76 5.00
BHPERI 3.27
BHDIV10 4.81
INV24 1.17
BHROT27 0.58
PX13 6.55
WCPT18 4.33
RG18 0.11
ADIM6 0.06
S22 0.48
S66 0.36
HEAVY28 0.31
WATER27 5.92
CARBHB12 1.44
PNICO23 0.94
HAL59 0.61
AHB21 1.24
CHB6 1.37
IL16 0.34
IDISP 1.54
ICONF 0.28
ACONF 0.06
AMINO20x4 0.28
PCONF21 0.90
MCONF 0.27
SCONF 0.27
UPU23 0.54
BUT14DIOL 0.22
Table PBEh1PBE-D3BJ
W4-11 3.61
G21EA 2.68
G21IP 3.71
DIPCS10 3.00
PA26 2.67
SIE4x4 14.25
ALKBDE10 5.39
YBDE18 0.99
AL2X6 4.01
HEAVYSB11 3.83
NBPRC 3.02
ALK8 11.89
RC21 4.93
G2RC 6.57
BH76RC 2.35
FH51 2.50
TAUT15 1.17
DC13 7.58
MB16-43 23.68
DARC 2.65
RSE43 1.48
BSR36 2.92
CDIE20 1.26
ISO34 1.32
ISOL24 2.23
C60ISO 2.64
PArel 1.14
BH76 4.46
BHPERI 2.89
BHDIV10 4.72
INV24 1.17
BHROT27 0.60
PX13 5.97
WCPT18 3.97
RG18 0.19
ADIM6 0.28
S22 0.46
S66 0.37
HEAVY28 1.34
WATER27 5.66
CARBHB12 1.52
PNICO23 1.50
HAL59 1.31
AHB21 1.34
CHB6 2.81
IL16 0.42
IDISP 1.50
ICONF 0.25
ACONF 0.07
AMINO20x4 0.27
PCONF21 0.90
MCONF 0.27
SCONF 0.31
UPU23 0.56
BUT14DIOL 0.28
Table PBE1KCIS-D3BJ
W4-11 8.76
G21EA 1.67
G21IP 3.34
DIPCS10 4.32
PA26 2.04
SIE4x4 16.91
ALKBDE10 3.95
YBDE18 2.64
AL2X6 3.56
HEAVYSB11 4.53
NBPRC 3.06
ALK8 12.68
RC21 5.09
G2RC 6.34
BH76RC 2.52
FH51 2.35
TAUT15 1.16
DC13 7.10
MB16-43 33.49
DARC 1.96
RSE43 2.17
BSR36 2.17
CDIE20 1.36
ISO34 1.42
ISOL24 2.91
C60ISO 2.30
PArel 1.09
BH76 5.40
BHPERI 2.63
BHDIV10 5.31
INV24 1.38
BHROT27 0.52
PX13 5.62
WCPT18 4.36
RG18 0.35
ADIM6 0.22
S22 0.39
S66 0.36
HEAVY28 1.09
WATER27 4.40
CARBHB12 1.48
PNICO23 1.42
HAL59 1.21
AHB21 0.97
CHB6 2.79
IL16 0.39
IDISP 2.67
ICONF 0.25
ACONF 0.10
AMINO20x4 0.25
PCONF21 0.79
MCONF 0.24
SCONF 0.28
UPU23 0.54
BUT14DIOL 0.18
Table X3LYP-D3BJ
W4-11 3.02
G21EA 1.87
G21IP 3.73
DIPCS10 5.16
PA26 2.28
SIE4x4 17.47
ALKBDE10 4.23
YBDE18 4.05
AL2X6 0.98
HEAVYSB11 2.15
NBPRC 1.85
ALK8 4.52
RC21 2.59
G2RC 2.89
BH76RC 2.11
FH51 2.45
TAUT15 1.14
DC13 9.92
MB16-43 15.91
DARC 7.39
RSE43 1.67
BSR36 3.77
CDIE20 0.98
ISO34 1.72
ISOL24 5.60
C60ISO 2.37
PArel 1.11
BH76 5.41
BHPERI 1.09
BHDIV10 3.15
INV24 1.00
BHROT27 0.43
PX13 4.31
WCPT18 2.31
RG18 0.22
ADIM6 0.20
S22 0.41
S66 0.40
HEAVY28 0.88
WATER27 5.86
CARBHB12 1.08
PNICO23 0.92
HAL59 1.04
AHB21 0.55
CHB6 2.39
IL16 0.59
IDISP 3.71
ICONF 0.28
ACONF 0.08
AMINO20x4 0.21
PCONF21 0.53
MCONF 0.19
SCONF 0.26
UPU23 0.63
BUT14DIOL 0.33
Table O3LYP-D3BJ
W4-11 19.66
G21EA 1.90
G21IP 3.12
DIPCS10 3.92
PA26 2.06
SIE4x4 21.38
ALKBDE10 6.50
YBDE18 4.39
AL2X6 4.38
HEAVYSB11 6.62
NBPRC 3.75
ALK8 12.03
RC21 7.93
G2RC 7.42
BH76RC 3.39
FH51 2.86
TAUT15 1.68
DC13 10.12
MB16-43 45.35
DARC 3.53
RSE43 2.87
BSR36 0.96
CDIE20 1.62
ISO34 1.55
ISOL24 2.58
C60ISO 4.31
PArel 1.74
BH76 7.65
BHPERI 4.84
BHDIV10 7.00
INV24 1.77
BHROT27 0.69
PX13 10.28
WCPT18 7.06
RG18 0.47
ADIM6 0.20
S22 0.47
S66 0.38
HEAVY28 1.33
WATER27 6.07
CARBHB12 1.71
PNICO23 1.64
HAL59 1.54
AHB21 1.39
CHB6 3.93
IL16 0.68
IDISP 1.79
ICONF 0.29
ACONF 0.14
AMINO20x4 0.33
PCONF21 1.20
MCONF 0.35
SCONF 0.34
UPU23 0.46
BUT14DIOL 0.38
Table B97-1-D3BJ
W4-11 3.67
G21EA 1.44
G21IP 2.86
DIPCS10 4.55
PA26 3.81
SIE4x4 16.83
ALKBDE10 3.25
YBDE18 3.27
AL2X6 2.52
HEAVYSB11 3.94
NBPRC 1.75
ALK8 8.40
RC21 4.12
G2RC 4.83
BH76RC 2.18
FH51 2.20
TAUT15 0.97
DC13 6.78
MB16-43 13.57
DARC 2.66
RSE43 2.18
BSR36 4.31
CDIE20 0.96
ISO34 1.06
ISOL24 3.68
C60ISO 2.25
PArel 0.92
BH76 4.65
BHPERI 2.67
BHDIV10 4.34
INV24 1.01
BHROT27 0.39
PX13 4.12
WCPT18 3.14
RG18 0.34
ADIM6 0.46
S22 0.38
S66 0.41
HEAVY28 0.98
WATER27 4.34
CARBHB12 1.36
PNICO23 1.30
HAL59 1.10
AHB21 0.81
CHB6 2.17
IL16 0.37
IDISP 3.12
ICONF 0.19
ACONF 0.05
AMINO20x4 0.22
PCONF21 0.55
MCONF 0.19
SCONF 0.29
UPU23 0.54
BUT14DIOL 0.15
Table B97-2-D3BJ
W4-11 4.85
G21EA 2.07
G21IP 2.63
DIPCS10 4.70
PA26 5.61
SIE4x4 16.55
ALKBDE10 4.79
YBDE18 4.31
AL2X6 11.21
HEAVYSB11 15.00
NBPRC 3.48
ALK8 19.44
RC21 5.21
G2RC 6.39
BH76RC 2.10
FH51 2.32
TAUT15 1.06
DC13 8.35
MB16-43 56.32
DARC 2.53
RSE43 2.42
BSR36 0.57
CDIE20 1.21
ISO34 1.07
ISOL24 2.32
C60ISO 2.97
PArel 1.04
BH76 3.88
BHPERI 3.86
BHDIV10 4.96
INV24 1.52
BHROT27 0.59
PX13 4.23
WCPT18 2.85
RG18 0.09
ADIM6 0.32
S22 0.23
S66 0.21
HEAVY28 1.13
WATER27 2.21
CARBHB12 1.18
PNICO23 1.86
HAL59 1.44
AHB21 0.80
CHB6 4.11
IL16 0.48
IDISP 1.34
ICONF 0.46
ACONF 0.03
AMINO20x4 0.27
PCONF21 0.57
MCONF 0.27
SCONF 0.24
UPU23 0.52
BUT14DIOL 0.20
Table B98-D3BJ
W4-11 2.57
G21EA 1.44
G21IP 2.97
DIPCS10 3.62
PA26 3.93
SIE4x4 16.64
ALKBDE10 3.21
YBDE18 2.71
AL2X6 3.89
HEAVYSB11 5.23
NBPRC 1.71
ALK8 10.10
RC21 3.67
G2RC 4.57
BH76RC 1.76
FH51 2.10
TAUT15 0.99
DC13 7.18
MB16-43 17.40
DARC 2.79
RSE43 2.01
BSR36 3.50
CDIE20 0.90
ISO34 1.16
ISOL24 3.84
C60ISO 2.27
PArel 0.93
BH76 4.61
BHPERI 2.71
BHDIV10 4.23
INV24 1.02
BHROT27 0.42
PX13 4.47
WCPT18 2.98
RG18 0.27
ADIM6 0.23
S22 0.35
S66 0.33
HEAVY28 1.08
WATER27 3.52
CARBHB12 1.28
PNICO23 1.40
HAL59 1.20
AHB21 0.78
CHB6 2.75
IL16 0.41
IDISP 2.69
ICONF 0.20
ACONF 0.05
AMINO20x4 0.23
PCONF21 0.56
MCONF 0.19
SCONF 0.28
UPU23 0.56
BUT14DIOL 0.15
Table HISS-D3BJ
W4-11 7.32
G21EA 3.65
G21IP 4.19
DIPCS10 4.42
PA26 3.44
SIE4x4 8.78
ALKBDE10 5.72
YBDE18 3.19
AL2X6 4.01
HEAVYSB11 3.13
NBPRC 3.78
ALK8 11.55
RC21 4.97
G2RC 7.99
BH76RC 2.44
FH51 3.88
TAUT15 1.16
DC13 10.31
MB16-43 28.22
DARC 7.26
RSE43 0.62
BSR36 3.72
CDIE20 1.26
ISO34 1.82
ISOL24 2.91
C60ISO 5.51
PArel 1.27
BH76 1.73
BHPERI 1.86
BHDIV10 2.23
INV24 2.07
BHROT27 0.88
PX13 3.03
WCPT18 2.54
RG18 0.15
ADIM6 0.37
S22 0.55
S66 0.43
HEAVY28 1.29
WATER27 5.77
CARBHB12 1.44
PNICO23 1.36
HAL59 1.13
AHB21 1.75
CHB6 2.89
IL16 0.39
IDISP 2.53
ICONF 0.38
ACONF 0.16
AMINO20x4 0.31
PCONF21 0.89
MCONF 0.24
SCONF 0.13
UPU23 0.68
BUT14DIOL 0.13
Table HSE03-D3BJ
W4-11 3.44
G21EA 4.45
G21IP 6.04
DIPCS10 10.23
PA26 3.12
SIE4x4 14.49
ALKBDE10 4.66
YBDE18 1.03
AL2X6 3.71
HEAVYSB11 3.65
NBPRC 2.96
ALK8 11.63
RC21 5.01
G2RC 6.43
BH76RC 2.33
FH51 2.54
TAUT15 1.21
DC13 7.63
MB16-43 22.92
DARC 2.44
RSE43 1.50
BSR36 3.48
CDIE20 1.34
ISO34 1.32
ISOL24 2.50
C60ISO 2.48
PArel 1.15
BH76 4.58
BHPERI 2.88
BHDIV10 4.70
INV24 1.20
BHROT27 0.63
PX13 5.87
WCPT18 3.86
RG18 0.22
ADIM6 0.25
S22 0.54
S66 0.42
HEAVY28 1.21
WATER27 6.89
CARBHB12 1.65
PNICO23 1.51
HAL59 1.32
AHB21 1.63
CHB6 2.71
IL16 0.62
IDISP 2.04
ICONF 0.23
ACONF 0.07
AMINO20x4 0.28
PCONF21 0.96
MCONF 0.27
SCONF 0.34
UPU23 0.58
BUT14DIOL 0.31
Table HSE06-D3BJ
W4-11 3.56
G21EA 2.68
G21IP 3.70
DIPCS10 3.05
PA26 2.65
SIE4x4 14.49
ALKBDE10 5.57
YBDE18 1.41
AL2X6 0.93
HEAVYSB11 1.14
NBPRC 2.57
ALK8 4.67
RC21 4.75
G2RC 6.21
BH76RC 2.35
FH51 2.47
TAUT15 1.19
DC13 6.67
MB16-43 14.27
DARC 2.11
RSE43 1.49
BSR36 3.83
CDIE20 1.32
ISO34 1.34
ISOL24 2.64
C60ISO 2.43
PArel 1.16
BH76 4.58
BHPERI 2.52
BHDIV10 4.56
INV24 1.16
BHROT27 0.61
PX13 6.02
WCPT18 4.01
RG18 0.13
ADIM6 0.14
S22 0.52
S66 0.39
HEAVY28 0.44
WATER27 6.29
CARBHB12 1.47
PNICO23 0.97
HAL59 0.73
AHB21 1.32
CHB6 1.29
IL16 0.31
IDISP 2.55
ICONF 0.30
ACONF 0.14
AMINO20x4 0.27
PCONF21 1.05
MCONF 0.27
SCONF 0.26
UPU23 0.55
BUT14DIOL 0.26
Table TPSSh-D3BJ
W4-11 4.44
G21EA 2.71
G21IP 3.91
DIPCS10 3.39
PA26 4.89
SIE4x4 18.39
ALKBDE10 4.66
YBDE18 4.21
AL2X6 2.21
HEAVYSB11 1.85
NBPRC 1.61
ALK8 3.98
RC21 3.92
G2RC 6.18
BH76RC 3.38
FH51 3.33
TAUT15 1.34
DC13 7.25
MB16-43 23.62
DARC 3.41
RSE43 1.48
BSR36 4.39
CDIE20 1.48
ISO34 2.01
ISOL24 4.32
C60ISO 4.42
PArel 1.31
BH76 7.22
BHPERI 4.02
BHDIV10 5.40
INV24 1.17
BHROT27 0.53
PX13 6.87
WCPT18 4.51
RG18 0.11
ADIM6 0.12
S22 0.33
S66 0.27
HEAVY28 0.31
WATER27 3.40
CARBHB12 1.26
PNICO23 0.97
HAL59 0.78
AHB21 0.60
CHB6 1.10
IL16 0.41
IDISP 2.46
ICONF 0.18
ACONF 0.07
AMINO20x4 0.29
PCONF21 0.95
MCONF 0.35
SCONF 0.74
UPU23 0.47
BUT14DIOL 0.18
Table revTPSSh-D3BJ
W4-11 5.14
G21EA 2.90
G21IP 3.94
DIPCS10 3.74
PA26 4.64
SIE4x4 17.95
ALKBDE10 5.71
YBDE18 3.44
AL2X6 3.13
HEAVYSB11 1.96
NBPRC 1.70
ALK8 5.02
RC21 4.47
G2RC 8.98
BH76RC 4.51
FH51 4.16
TAUT15 1.05
DC13 8.19
MB16-43 28.52
DARC 1.77
RSE43 1.30
BSR36 2.14
CDIE20 1.33
ISO34 2.63
ISOL24 3.46
C60ISO 5.03
PArel 1.28
BH76 6.94
BHPERI 4.67
BHDIV10 4.87
INV24 1.02
BHROT27 0.52
PX13 4.41
WCPT18 3.71
RG18 0.06
ADIM6 0.30
S22 0.25
S66 0.21
HEAVY28 0.65
WATER27 2.20
CARBHB12 0.89
PNICO23 1.22
HAL59 1.00
AHB21 0.37
CHB6 1.18
IL16 0.55
IDISP 2.32
ICONF 0.24
ACONF 0.10
AMINO20x4 0.24
PCONF21 0.56
MCONF 0.36
SCONF 0.91
UPU23 0.35
BUT14DIOL 0.14
Table TPSS0-D3BJ
W4-11 9.54
G21EA 3.66
G21IP 4.07
DIPCS10 3.93
PA26 5.07
SIE4x4a 13.64
ALKBDE10 7.30
YBDE18 3.44
AL2X6 2.56
HEAVYSB11 1.57
NBPRC 2.70
ALK8 5.22
RC21 4.00
G2RC 5.58
BH76RC 3.53
FH51 2.53
TAUT15 0.99
DC13 7.50
MB16-43 19.53
DARC 1.89
RSE43 0.82
BSR36 4.13
CDIE20 1.18
ISO34 1.83
ISOL24 2.27
C60ISO 3.16
PArel 1.01
BH76 4.64
BHPERI 2.66
BHDIV10 3.53
INV24 1.34
BHROT27 0.61
PX13 4.17
WCPT18 2.44
RG18 0.07
ADIM6 0.21
S22 0.38
S66 0.30
HEAVY28 0.31
WATER27 3.05
CARBHB12 1.14
PNICO23 0.92
HAL59 0.62
AHB21 0.84
CHB6 1.48
IL16 0.45
IDISP 1.20
ICONF 0.22
ACONF 0.10
AMINO20x4 0.27
PCONF21 0.75
MCONF 0.27
SCONF 0.50
UPU23 0.55
BUT14DIOL 0.12
Table revTPSS0-D3BJ
W4-11 10.40
G21EA 3.75
G21IP 4.08
DIPCS10 4.23
PA26 4.74
SIE4x4 13.04
ALKBDE10 8.28
YBDE18 3.60
AL2X6 3.41
HEAVYSB11 1.23
NBPRC 2.20
ALK8 5.99
RC21 4.18
G2RC 7.33
BH76RC 4.34
FH51 3.10
TAUT15 0.77
DC13 8.83
MB16-43 24.05
DARC 3.01
RSE43 0.77
BSR36 2.44
CDIE20 1.09
ISO34 2.40
ISOL24 2.04
C60ISO 2.82
PArel 1.10
BH76 4.30
BHPERI 2.69
BHDIV10 2.84
INV24 1.34
BHROT27 0.59
PX13 1.89
WCPT18 1.68
RG18 0.07
ADIM6 0.36
S22 0.27
S66 0.23
HEAVY28 0.71
WATER27 1.28
CARBHB12 0.78
PNICO23 1.08
HAL59 0.78
AHB21 0.50
CHB6 1.73
IL16 0.57
IDISP 1.12
ICONF 0.25
ACONF 0.03
AMINO20x4 0.24
PCONF21 0.48
MCONF 0.29
SCONF 0.49
UPU23 0.41
BUT14DIOL 0.12
Table TPSS1KCIS-D3BJ
W4-11 4.34
G21EA 2.31
G21IP 3.60
DIPCS10 5.00
PA26 4.23
SIE4x4 17.48
ALKBDE10 4.55
YBDE18 1.73
AL2X6 7.77
HEAVYSB11 7.65
NBPRC 2.23
ALK8 16.47
RC21 3.67
G2RC 5.94
BH76RC 2.41
FH51 2.97
TAUT15 1.26
DC13 8.45
MB16-43 28.92
DARC 3.13
RSE43 1.68
BSR36 2.83
CDIE20 1.44
ISO34 1.65
ISOL24 4.15
C60ISO 3.52
PArel 1.17
BH76 6.10
BHPERI 3.81
BHDIV10 5.51
INV24 1.09
BHROT27 0.54
PX13 5.75
WCPT18 3.93
RG18 0.28
ADIM6 0.22
S22 0.33
S66 0.27
HEAVY28 1.29
WATER27 3.17
CARBHB12 1.46
PNICO23 1.85
HAL59 1.62
AHB21 0.74
CHB6 3.61
IL16 0.33
IDISP 2.45
ICONF 0.30
ACONF 0.07
AMINO20x4 0.24
PCONF21 0.80
MCONF 0.30
SCONF 0.48
UPU23 0.48
BUT14DIOL 0.17
Table BMK-D3BJ
W4-11 3.21
G21EA 1.92
G21IP 3.42
DIPCS10 5.19
PA26 2.24
SIE4x4 10.36
ALKBDE10 3.97
YBDE18 2.34
AL2X6 3.15
HEAVYSB11 2.32
NBPRC 1.79
ALK8 6.45
RC21 3.28
G2RC 3.96
BH76RC 1.71
FH51 1.93
TAUT15 1.17
DC13 10.35
MB16-43 32.21
DARC 4.07
RSE43 1.03
BSR36 0.39
CDIE20 0.41
ISO34 1.06
ISOL24 3.23
C60ISO 4.60
PArel 0.71
BH76 1.48
BHPERI 1.33
BHDIV10 1.79
INV24 1.54
BHROT27 0.60
PX13 0.73
WCPT18 1.16
RG18 1.42
ADIM6 0.62
S22 0.80
S66 0.50
HEAVY28 0.71
WATER27 1.02
CARBHB12 0.41
PNICO23 0.52
HAL59 0.76
AHB21 0.40
CHB6 0.43
IL16 1.06
IDISP 3.49
ICONF 0.36
ACONF 0.46
AMINO20x4 0.38
PCONF21 1.70
MCONF 1.23
SCONF 0.41
UPU23 0.77
BUT14DIOL 0.27
Table HCTHhyb-D3BJ
W4-11 3.81
G21EA 2.10
G21IP 3.45
DIPCS10 3.73
PA26 4.09
SIE4x4 18.56
ALKBDE10 4.21
YBDE18 2.76
AL2X6 4.48
HEAVYSB11 7.31
NBPRC 1.87
ALK8 11.18
RC21 4.50
G2RC 5.07
BH76RC 2.08
FH51 2.36
TAUT15 1.32
DC13 6.90
MB16-43 22.53
DARC 2.60
RSE43 2.48
BSR36 2.83
CDIE20 1.12
ISO34 1.10
ISOL24 3.64
C60ISO 3.53
PArel 1.13
BH76 5.65
BHPERI 4.28
BHDIV10 5.76
INV24 1.16
BHROT27 0.45
PX13 7.23
WCPT18 4.67
RG18 0.11
ADIM6 0.32
S22 0.35
S66 0.31
HEAVY28 1.20
WATER27 4.23
CARBHB12 1.42
PNICO23 1.68
HAL59 1.52
AHB21 1.09
CHB6 2.48
IL16 0.54
IDISP 2.37
ICONF 0.25
ACONF 0.05
AMINO20x4 0.29
PCONF21 0.79
MCONF 0.27
SCONF 0.46
UPU23 0.55
BUT14DIOL 0.34
Table M05-D30
W4-11 2.99
G21EA 2.93
G21IP 3.27
DIPCS10 5.56
PA26 2.92
SIE4x4 14.88
ALKBDE10 3.93
YBDE18 4.05
AL2X6 6.25
HEAVYSB11 3.39
NBPRC 3.71
ALK8 3.02
RC21 2.84
G2RC 4.05
BH76RC 2.22
FH51 3.03
TAUT15 1.59
DC13 9.17
MB16-43 15.76
DARC 3.67
RSE43 1.84
BSR36 7.30
CDIE20 1.36
ISO34 2.14
ISOL24 6.26
C60ISO 2.41
PArel 1.43
BH76 2.00
BHPERI 3.67
BHDIV10 3.09
INV24 2.18
BHROT27 0.51
PX13 1.48
WCPT18 2.36
RG18 0.30
ADIM6 0.75
S22 0.52
S66 0.35
HEAVY28 0.25
WATER27 3.35
CARBHB12 0.54
PNICO23 0.41
HAL59 0.36
AHB21 0.52
CHB6 1.37
IL16 1.37
IDISP 7.09
ICONF 0.64
ACONF 0.36
AMINO20x4 0.41
PCONF21 0.69
MCONF 0.47
SCONF 1.03
UPU23 0.52
BUT14DIOL 0.18
Table M052X-D30
W4-11 4.04
G21EA 1.80
G21IP 3.32
DIPCS10 4.14
PA26 1.13
SIE4x4 8.71
ALKBDE10 4.51
YBDE18 0.93
AL2X6 0.77
HEAVYSB11 3.20
NBPRC 1.53
ALK8 2.18
RC21 2.71
G2RC 4.02
BH76RC 1.37
FH51 1.76
TAUT15 1.17
DC13 8.40
MB16-43 26.32
DARC 0.96
RSE43 0.81
BSR36 1.04
CDIE20 0.34
ISO34 1.05
ISOL24 2.54
C60ISO 9.78
PArel 1.02
BH76 1.66
BHPERI 1.47
BHDIV10 1.51
INV24 1.60
BHROT27 0.46
PX13 7.43
WCPT18 2.52
RG18 0.16
ADIM6 0.36
S22 0.35
S66 0.31
HEAVY28 0.30
WATER27 5.42
CARBHB12 0.24
PNICO23 0.40
HAL59 0.46
AHB21 1.14
CHB6 1.95
IL16 1.04
IDISP 1.37
ICONF 0.27
ACONF 0.07
AMINO20x4 0.28
PCONF21 0.36
MCONF 0.51
SCONF 0.27
UPU23 0.48
BUT14DIOL 0.19
Table M06-D30
W4-11 3.15
G21EA 2.18
G21IP 3.09
DIPCS10 6.51
PA26 2.90
SIE4x4 14.32
ALKBDE10 3.44
YBDE18 4.54
AL2X6 2.46
HEAVYSB11 1.78
NBPRC 2.82
ALK8 3.37
RC21 1.69
G2RC 3.79
BH76RC 1.65
FH51 1.85
TAUT15 0.78
DC13 6.51
MB16-43 32.43
DARC 3.83
RSE43 1.54
BSR36 1.29
CDIE20 1.03
ISO34 1.43
ISOL24 3.52
C60ISO 2.10
PArel 1.08
BH76 2.61
BHPERI 1.90
BHDIV10 1.94
INV24 1.54
BHROT27 0.67
PX13 1.45
WCPT18 2.01
RG18 0.32
ADIM6 1.82
S22 0.27
S66 0.44
HEAVY28 0.31
WATER27 1.52
CARBHB12 0.31
PNICO23 0.25
HAL59 0.47
AHB21 0.31
CHB6 1.28
IL16 0.41
IDISP 4.08
ICONF 0.36
ACONF 0.52
AMINO20x4 0.41
PCONF21 1.19
MCONF 0.71
SCONF 0.32
UPU23 0.83
BUT14DIOL 0.25
Table M062X-D30
W4-11 3.16
G21EA 1.76
G21IP 2.64
DIPCS10 3.16
PA26 1.23
SIE4x4 8.67
ALKBDE10 4.79
YBDE18 2.40
AL2X6 0.90
HEAVYSB11 8.16
NBPRC 0.95
ALK8 2.31
RC21 1.63
G2RC 1.92
BH76RC 1.18
FH51 1.20
TAUT15 0.78
DC13 7.51
MB16-43 15.68
DARC 2.16
RSE43 0.63
BSR36 2.48
CDIE20 0.54
ISO34 1.23
ISOL24 2.74
C60ISO 6.88
PArel 0.97
BH76 2.34
BHPERI 1.35
BHDIV10 1.05
INV24 1.28
BHROT27 0.36
PX13 5.32
WCPT18 1.88
RG18 0.23
ADIM6 0.27
S22 0.34
S66 0.22
HEAVY28 0.33
WATER27 3.70
CARBHB12 0.25
PNICO23 0.29
HAL59 0.35
AHB21 0.95
CHB6 1.42
IL16 0.47
IDISP 2.07
ICONF 0.32
ACONF 0.27
AMINO20x4 0.30
PCONF21 1.09
MCONF 0.55
SCONF 0.26
UPU23 0.50
BUT14DIOL 0.13
Table M08HX-D30
W4-11 3.11
G21EA 1.82
G21IP 3.37
DIPCS10 3.37
PA26 1.00
SIE4x4 8.64
ALKBDE10 3.86
YBDE18 2.11
AL2X6 2.38
HEAVYSB11 2.95
NBPRC 1.90
ALK8 2.26
RC21 1.52
G2RC 3.30
BH76RC 1.20
FH51 1.27
TAUT15 0.65
DC13 7.36
MB16-43 15.87
DARC 1.43
RSE43 0.56
BSR36 2.31
CDIE20 0.64
ISO34 0.95
ISOL24 2.29
C60ISO 7.60
PArel 0.91
BH76 0.99
BHPERI 1.64
BHDIV10 1.02
INV24 1.91
BHROT27 0.42
PX13 2.62
WCPT18 1.55
RG18 0.41
ADIM6 0.18
S22 0.38
S66 0.27
HEAVY28 0.31
WATER27 1.57
CARBHB12 0.49
PNICO23 0.59
HAL59 0.45
AHB21 0.54
CHB6 2.50
IL16 1.04
IDISP 3.12
ICONF 0.50
ACONF 0.40
AMINO20x4 0.39
PCONF21 1.04
MCONF 0.73
SCONF 0.32
UPU23 0.60
BUT14DIOL 0.20
Table M11-D3BJ
W4-11 3.42
G21EA 1.56
G21IP 3.61
DIPCS10 3.26
PA26 1.23
SIE4x4 9.59
ALKBDE10 4.30
YBDE18 1.56
AL2X6 2.39
HEAVYSB11 1.96
NBPRC 2.76
ALK8 3.74
RC21 2.06
G2RC 2.81
BH76RC 1.44
FH51 1.47
TAUT15 1.09
DC13 9.11
MB16-43 18.01
DARC 2.60
RSE43 1.41
BSR36 1.05
CDIE20 0.78
ISO34 1.32
ISOL24 3.40
C60ISO 14.75
PArel 0.77
BH76 1.28
BHPERI 1.89
BHDIV10 1.42
INV24 2.49
BHROT27 0.66
PX13 3.47
WCPT18 1.76
RG18 0.31
ADIM6 0.58
S22 0.41
S66 0.28
HEAVY28 0.27
WATER27 1.34
CARBHB12 0.22
PNICO23 0.32
HAL59 0.65
AHB21 0.46
CHB6 2.75
IL16 1.53
IDISP 3.65
ICONF 0.53
ACONF 0.72
AMINO20x4 0.51
PCONF21 1.34
MCONF 1.24
SCONF 0.80
UPU23 0.69
BUT14DIOL 0.26
Table SOGGA11X-D3BJ
W4-11 4.04
G21EA 1.92
G21IP 3.12
DIPCS10 4.92
PA26 3.83
SIE4x4 10.56
ALKBDE10 7.32
YBDE18 2.61
AL2X6 2.08
HEAVYSB11 2.55
NBPRC 2.39
ALK8 8.79
RC21 4.44
G2RC 5.21
BH76RC 2.24
FH51 2.18
TAUT15 0.44
DC13 7.34
MB16-43 12.15
DARC 4.17
RSE43 1.32
BSR36 2.76
CDIE20 0.84
ISO34 1.14
ISOL24 1.60
C60ISO 6.99
PArel 0.98
BH76 1.80
BHPERI 1.25
BHDIV10 1.80
INV24 1.43
BHROT27 0.41
PX13 0.64
WCPT18 1.37
RG18 0.75
ADIM6 0.37
S22 0.62
S66 0.37
HEAVY28 0.78
WATER27 1.82
CARBHB12 0.77
PNICO23 0.90
HAL59 0.76
AHB21 0.69
CHB6 2.14
IL16 0.34
IDISP 1.53
ICONF 0.25
ACONF 0.29
AMINO20x4 0.26
PCONF21 0.76
MCONF 0.56
SCONF 0.35
UPU23 0.74
BUT14DIOL 0.36
Table N12SX-D3BJ
W4-11 3.93
G21EA 2.87
G21IP 3.59
DIPCS10 5.76
PA26 3.83
SIE4x4 14.64
ALKBDE10 3.69
YBDE18 1.95
AL2X6 2.22
HEAVYSB11 2.31
NBPRC 3.38
ALK8 7.69
RC21 6.05
G2RC 7.11
BH76RC 3.00
FH51 3.31
TAUT15 1.60
DC13 10.34
MB16-43 27.87
DARC 4.37
RSE43 2.03
BSR36 3.92
CDIE20 1.35
ISO34 1.62
ISOL24 2.44
C60ISO 2.49
PArel 1.31
BH76 3.81
BHPERI 2.63
BHDIV10 4.51
INV24 2.10
BHROT27 0.84
PX13 6.03
WCPT18 3.70
RG18 0.33
ADIM6 0.16
S22 0.58
S66 0.45
HEAVY28 0.36
WATER27 7.99
CARBHB12 1.45
PNICO23 0.83
HAL59 0.65
AHB21 1.71
CHB6 1.85
IL16 0.39
IDISP 2.33
ICONF 0.44
ACONF 0.05
AMINO20x4 0.34
PCONF21 0.88
MCONF 0.33
SCONF 0.27
UPU23 0.65
BUT14DIOL 0.42
Table MN12SX-D3BJ
W4-11 4.45
G21EA 2.39
G21IP 3.66
DIPCS10 8.15
PA26 1.62
SIE4x4 9.03
ALKBDE10 3.84
YBDE18 3.35
AL2X6 1.35
HEAVYSB11 2.08
NBPRC 2.29
ALK8 5.30
RC21 1.54
G2RC 2.78
BH76RC 1.56
FH51 1.92
TAUT15 1.57
DC13 7.87
MB16-43 11.66
DARC 3.48
RSE43 1.59
BSR36 2.55
CDIE20 1.30
ISO34 1.12
ISOL24 3.29
C60ISO 2.31
PArel 1.50
BH76 1.14
BHPERI 2.10
BHDIV10 1.57
INV24 1.44
BHROT27 0.59
PX13 2.41
WCPT18 1.11
RG18 0.60
ADIM6 0.41
S22 0.66
S66 0.47
HEAVY28 0.32
WATER27 5.53
CARBHB12 0.67
PNICO23 0.28
HAL59 0.59
AHB21 0.81
CHB6 0.55
IL16 1.28
IDISP 3.07
ICONF 0.29
ACONF 0.21
AMINO20x4 0.51
PCONF21 1.59
MCONF 0.70
SCONF 0.49
UPU23 0.67
BUT14DIOL 0.54
Table MN15-D3BJ
W4-11 2.72
G21EA 1.37
G21IP 2.75
DIPCS10 4.35
PA26 1.64
SIE4x4 11.30
ALKBDE10 2.88
YBDE18 3.37
AL2X6 1.47
HEAVYSB11 5.07
NBPRC 1.78
ALK8 3.72
RC21 1.74
G2RC 2.63
BH76RC 1.57
FH51 1.61
TAUT15 1.19
DC13 5.09
MB16-43 20.23
DARC 1.70
RSE43 1.35
BSR36 0.57
CDIE20 0.64
ISO34 1.50
ISOL24 2.63
C60ISO 1.96
PArel 1.34
BH76 1.50
BHPERI 1.26
BHDIV10 1.70
INV24 2.68
BHROT27 0.48
PX13 2.03
WCPT18 1.50
RG18 0.10
ADIM6 1.32
S22 0.56
S66 0.44
HEAVY28 0.34
WATER27 1.23
CARBHB12 0.24
PNICO23 0.30
HAL59 0.54
AHB21 0.33
CHB6 0.32
IL16 1.02
IDISP 3.60
ICONF 0.51
ACONF 0.50
AMINO20x4 0.52
PCONF21 1.10
MCONF 0.57
SCONF 0.50
UPU23 0.53
BUT14DIOL 0.36
Table LC-whPBE-D3BJ
W4-11 3.98
G21EA 2.83
G21IP 4.60
DIPCS10 3.16
PA26 2.96
SIE4x4 9.61
ALKBDE10 5.42
YBDE18 2.75
AL2X6 2.92
HEAVYSB11 3.11
NBPRC 3.73
ALK8 5.83
RC21 4.81
G2RC 6.10
BH76RC 2.37
FH51 3.52
TAUT15 0.94
DC13 11.08
MB16-43 18.09
DARC 10.90
RSE43 0.59
BSR36 0.84
CDIE20 0.87
ISO34 1.83
ISOL24 5.78
C60ISO 17.64
PArel 0.96
BH76 1.62
BHPERI 2.18
BHDIV10 1.74
INV24 2.27
BHROT27 0.58
PX13 4.92
WCPT18 2.57
RG18 0.12
ADIM6 0.20
S22 0.28
S66 0.18
HEAVY28 0.33
WATER27 1.37
CARBHB12 0.65
PNICO23 0.50
HAL59 0.47
AHB21 0.66
CHB6 1.87
IL16 0.84
IDISP 3.70
ICONF 0.38
ACONF 0.08
AMINO20x4 0.33
PCONF21 0.52
MCONF 0.41
SCONF 0.18
UPU23 0.86
BUT14DIOL 0.12
Table wB97X-D30
W4-11 2.86
G21EA 1.53
G21IP 2.87
DIPCS10 5.45
PA26 3.66
SIE4x4 12.35
ALKBDE10 4.43
YBDE18 2.41
AL2X6 3.02
HEAVYSB11 2.37
NBPRC 1.89
ALK8 3.58
RC21 2.98
G2RC 3.88
BH76RC 1.59
FH51 1.88
TAUT15 0.74
DC13 6.40
MB16-43 36.50
DARC 1.32
RSE43 1.39
BSR36 4.13
CDIE20 0.63
ISO34 1.03
ISOL24 2.64
C60ISO 13.56
PArel 0.58
BH76 1.88
BHPERI 3.06
BHDIV10 1.00
INV24 1.48
BHROT27 0.39
PX13 1.81
WCPT18 1.41
RG18 0.21
ADIM6 0.34
S22 0.21
S66 0.24
HEAVY28 0.19
WATER27 2.33
CARBHB12 0.57
PNICO23 0.24
HAL59 0.42
AHB21 0.30
CHB6 1.26
IL16 1.06
IDISP 2.68
ICONF 0.42
ACONF 0.07
AMINO20x4 0.24
PCONF21 0.31
MCONF 0.30
SCONF 0.27
UPU23 0.77
BUT14DIOL 0.11
Table wB97X-V
W4-11 2.78
G21EA 1.84
G21IP 2.96
DIPCS10 4.10
PA26 2.65
SIE4x4 11.49
ALKBDE10 4.07
YBDE18 2.03
AL2X6 1.21
HEAVYSB11 1.39
NBPRC 1.43
ALK8 0.95
RC21 3.53
G2RC 3.92
BH76RC 1.81
FH51 2.30
TAUT15 0.72
DC13 6.52
MB16-43 32.51
DARC 4.31
RSE43 0.98
BSR36 2.11
CDIE20 0.63
ISO34 1.17
ISOL24 2.98
C60ISO 13.74
PArel 0.63
BH76 1.83
BHPERI 2.07
BHDIV10 0.85
INV24 1.22
BHROT27 0.31
PX13 2.56
WCPT18 1.71
RG18 0.10
ADIM6 0.16
S22 0.22
S66 0.12
HEAVY28 0.18
WATER27 1.30
CARBHB12 0.33
PNICO23 0.19
HAL59 0.30
AHB21 0.34
CHB6 0.87
IL16 1.02
IDISP 2.59
ICONF 0.26
ACONF 0.03
AMINO20x4 0.19
PCONF21 0.30
MCONF 0.24
SCONF 0.15
UPU23 0.59
BUT14DIOL 0.04
Table APFD
W4-11 3.17
G21EA 2.43
G21IP 3.65
DIPCS10 3.01
PA26 3.15
SIE4x4 15.24
ALKBDE10 4.45
YBDE18 2.11
AL2X6 1.34
HEAVYSB11 2.13
NBPRC 2.17
ALK8 1.51
RC21 4.76
G2RC 5.53
BH76RC 2.22
FH51 2.36
TAUT15 1.21
DC13 8.65
MB16-43 14.82
DARC 1.97
RSE43 1.41
BSR36 3.91
CDIE20 1.18
ISO34 1.29
ISOL24 1.97
C60ISO 2.37
PArel 1.15
BH76 4.45
BHPERI 2.53
BHDIV10 4.47
INV24 1.12
BHROT27 0.54
PX13 6.59
WCPT18 4.30
RG18 0.07
ADIM6 0.66
S22 0.93
S66 0.75
HEAVY28 0.20
WATER27 6.84
CARBHB12 1.21
PNICO23 0.49
HAL59 0.49
AHB21 1.12
CHB6 3.08
IL16 0.69
IDISP 1.92
ICONF 0.35
ACONF 0.06
AMINO20x4 0.30
PCONF21 0.65
MCONF 0.84
SCONF 1.28
UPU23 0.67
BUT14DIOL 0.58
Table B2PLYP-D3BJ
W4-11 1.98
G21EA 1.29
G21IP 2.28
DIPCS10 3.96
PA26 1.30
SIE4x4 10.08
ALKBDE10 3.17
YBDE18 2.12
AL2X6 2.21
HEAVYSB11 1.70
NBPRC 1.36
ALK8 1.07
RC21 1.16
G2RC 1.44
BH76RC 1.13
FH51 1.50
TAUT15 0.72
DC13 6.77
MB16-43 16.62
DARC 5.03
RSE43 0.57
BSR36 2.42
CDIE20 0.75
ISO34 1.13
ISOL24 3.83
C60ISO 6.76
PArel 0.74
BH76 2.59
BHPERI 1.67
BHDIV10 2.13
INV24 0.69
BHROT27 0.26
PX13 2.74
WCPT18 1.71
RG18 0.15
ADIM6 0.25
S22 0.15
S66 0.18
HEAVY28 0.17
WATER27 2.03
CARBHB12 0.56
PNICO23 0.19
HAL59 0.41
AHB21 0.25
CHB6 1.18
IL16 0.61
IDISP 1.96
ICONF 0.20
ACONF 0.13
AMINO20x4 0.15
PCONF21 0.34
MCONF 0.23
SCONF 0.12
UPU23 0.48
BUT14DIOL 0.13
Table B2GPPLYP-D3BJ
W4-11 2.77
G21EA 1.71
G21IP 2.01
DIPCS10 3.40
PA26 1.13
SIE4x4 6.69
ALKBDE10 2.91
YBDE18 0.93
AL2X6 0.63
HEAVYSB11 1.91
NBPRC 0.93
ALK8 2.60
RC21 1.39
G2RC 1.36
BH76RC 0.96
FH51 1.05
TAUT15 0.54
DC13 4.13
MB16-43 9.44
DARC 2.58
RSE43 0.41
BSR36 2.08
CDIE20 0.64
ISO34 0.74
ISOL24 2.66
C60ISO 6.04
PArel 0.55
BH76 1.38
BHPERI 1.47
BHDIV10 1.45
INV24 0.79
BHROT27 0.33
PX13 1.68
WCPT18 1.15
RG18 0.16
ADIM6 0.44
S22 0.14
S66 0.23
HEAVY28 0.20
WATER27 1.87
CARBHB12 0.51
PNICO23 0.23
HAL59 0.44
AHB21 0.42
CHB6 1.81
IL16 0.53
IDISP 1.16
ICONF 0.20
ACONF 0.14
AMINO20x4 0.13
PCONF21 0.28
MCONF 0.21
SCONF 0.07
UPU23 0.47
BUT14DIOL 0.09
Table MPW2PLYP-D3BJ
W4-11 2.66
G21EA 1.48
G21IP 2.34
DIPCS10 3.49
PA26 1.19
SIE4x4 9.22
ALKBDE10 3.23
YBDE18 2.10
AL2X6 2.66
HEAVYSB11 2.44
NBPRC 1.71
ALK8 1.40
RC21 1.05
G2RC 1.59
BH76RC 1.26
FH51 1.18
TAUT15 0.65
DC13 6.42
MB16-43 22.08
DARC 4.64
RSE43 0.49
BSR36 3.76
CDIE20 0.70
ISO34 1.08
ISOL24 3.78
C60ISO 4.65
PArel 0.68
BH76 2.32
BHPERI 0.85
BHDIV10 1.73
INV24 0.71
BHROT27 0.32
PX13 2.15
WCPT18 1.45
RG18 0.27
ADIM6 0.10
S22 0.31
S66 0.29
HEAVY28 0.12
WATER27 4.99
CARBHB12 0.75
PNICO23 0.22
HAL59 0.34
AHB21 0.63
CHB6 1.55
IL16 0.50
IDISP 2.78
ICONF 0.25
ACONF 0.08
AMINO20x4 0.14
PCONF21 0.39
MCONF 0.10
SCONF 0.12
UPU23 0.50
BUT14DIOL 0.15
Table PWPB95-D3BJ
W4-11 1.86
G21EA 1.71
G21IP 1.94
DIPCS10 4.09
PA26 1.90
SIE4x4 10.02
ALKBDE10 3.13
YBDE18 1.91
AL2X6 0.91
HEAVYSB11 0.73
NBPRC 0.85
ALK8 4.23
RC21 1.32
G2RC 2.17
BH76RC 1.14
FH51 1.16
TAUT15 0.62
DC13 3.71
MB16-43 6.71
DARC 1.72
RSE43 0.97
BSR36 2.42
CDIE20 0.70
ISO34 0.79
ISOL24 2.09
C60ISO 3.48
PArel 0.68
BH76 1.76
BHPERI 0.80
BHDIV10 1.59
INV24 0.78
BHROT27 0.32
PX13 1.25
WCPT18 1.10
RG18 0.19
ADIM6 0.18
S22 0.41
S66 0.26
HEAVY28 0.17
WATER27 3.59
CARBHB12 0.22
PNICO23 0.14
HAL59 0.30
AHB21 0.31
CHB6 1.53
IL16 1.25
IDISP 1.38
ICONF 0.18
ACONF 0.25
AMINO20x4 0.23
PCONF21 0.45
MCONF 0.34
SCONF 0.18
UPU23 0.53
BUT14DIOL 0.36
Table DSD-BLYP-D3BJ
W4-11 2.51
G21EA 1.76
G21IP 2.02
DIPCS10 3.99
PA26 1.02
SIE4x4 5.88
ALKBDE10 2.78
YBDE18 0.95
AL2X6 0.54
HEAVYSB11 2.10
NBPRC 0.88
ALK8 2.71
RC21 1.84
G2RC 1.03
BH76RC 0.81
FH51 1.11
TAUT15 0.46
DC13 3.94
MB16-43 7.92
DARC 2.38
RSE43 0.59
BSR36 1.49
CDIE20 0.56
ISO34 0.69
ISOL24 2.38
C60ISO 7.63
PArel 0.53
BH76 1.22
BHPERI 1.88
BHDIV10 1.35
INV24 0.80
BHROT27 0.23
PX13 1.58
WCPT18 1.04
RG18 0.16
ADIM6 0.37
S22 0.17
S66 0.17
HEAVY28 0.19
WATER27 0.94
CARBHB12 0.42
PNICO23 0.21
HAL59 0.43
AHB21 0.26
CHB6 1.70
IL16 0.56
IDISP 1.02
ICONF 0.18
ACONF 0.19
AMINO20x4 0.13
PCONF21 0.23
MCONF 0.30
SCONF 0.06
UPU23 0.43
BUT14DIOL 0.06
Table DSD-PBEP86-D3BJ
W4-11 2.72
G21EA 1.51
G21IP 2.10
DIPCS10 3.90
PA26 1.10
SIE4x4 5.04
ALKBDE10 3.01
YBDE18 1.53
AL2X6 0.31
HEAVYSB11 0.92
NBPRC 0.88
ALK8 2.28
RC21 1.77
G2RC 1.83
BH76RC 0.86
FH51 0.87
TAUT15 0.46
DC13 2.55
MB16-43 6.46
DARC 1.32
RSE43 0.90
BSR36 1.36
CDIE20 0.47
ISO34 0.41
ISOL24 1.12
C60ISO 7.56
PArel 0.50
BH76 1.28
BHPERI 2.45
BHDIV10 1.71
INV24 0.75
BHROT27 0.21
PX13 2.51
WCPT18 1.77
RG18 0.15
ADIM6 0.06
S22 0.31
S66 0.21
HEAVY28 0.18
WATER27 2.26
CARBHB12 0.61
PNICO23 0.40
HAL59 0.44
AHB21 0.43
CHB6 1.12
IL16 0.23
IDISP 1.43
ICONF 0.14
ACONF 0.25
AMINO20x4 0.13
PCONF21 0.27
MCONF 0.38
SCONF 0.13
UPU23 0.38
BUT14DIOL 0.05
Table DSD-PBEB95-D3BJ
W4-11 2.38
G21EA 2.89
G21IP 2.58
DIPCS10 6.03
PA26 1.51
SIE4x4 5.97
ALKBDE10 2.97
YBDE18 1.23
AL2X6 0.97
HEAVYSB11 1.07
NBPRC 0.73
ALK8 3.92
RC21 1.17
G2RC 1.70
BH76RC 1.13
FH51 0.69
TAUT15 0.41
DC13 3.41
MB16-43 6.52
DARC 1.09
RSE43 0.45
BSR36 1.20
CDIE20 0.51
ISO34 0.56
ISOL24 0.96
C60ISO 4.76
PArel 0.55
BH76 1.03
BHPERI 0.95
BHDIV10 0.83
INV24 0.79
BHROT27 0.25
PX13 0.43
WCPT18 0.58
RG18 0.17
ADIM6 0.49
S22 0.51
S66 0.29
HEAVY28 0.14
WATER27 1.88
CARBHB12 0.22
PNICO23 0.17
HAL59 0.30
AHB21 0.20
CHB6 1.58
IL16 0.77
IDISP 2.12
ICONF 0.19
ACONF 0.37
AMINO20x4 0.22
PCONF21 0.68
MCONF 0.57
SCONF 0.15
UPU23 0.45
BUT14DIOL 0.28
 
