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 2: Non-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
W4-11 14.96
G21EA 3.43
G21IP 3.85
DIPCS10 4.51
PA26 1.97
SIE4x4 23.44
ALKBDE10 6.21
YBDE18 5.91
AL2X6 4.26
HEAVYSB11 4.58
NBPRC 2.82
ALK8 2.78
RC21 5.48
G2RC 6.29
BH76RC 4.09
FH51 3.40
TAUT15 1.81
DC13 10.14
MB16-43 22.78
DARC 6.94
RSE43 3.10
BSR36 7.67
CDIE20 1.81
ISO34 1.80
ISOL24 6.83
C60ISO 11.06
PArel 1.81
BH76 9.15
BHPERI 3.95
BHDIV10 8.23
INV24 2.67
BHROT27 0.47
PX13 11.54
WCPT18 8.61
RG18 0.28
ADIM6 3.38
S22 2.55
S66 2.11
HEAVY28 0.47
WATER27 2.83
CARBHB12 1.09
PNICO23 0.82
HAL59 1.30
AHB21 0.83
CHB6 0.79
IL16 1.49
IDISP 10.78
ICONF 0.43
ACONF 0.61
AMINO20x4 0.51
PCONF21 3.48
MCONF 1.80
SCONF 0.35
UPU23 1.99
BUT14DIOL 0.26
Table PBEhPBE
W4-11 13.67
G21EA 3.22
G21IP 3.89
DIPCS10 4.39
PA26 1.88
SIE4x4 23.35
ALKBDE10 6.29
YBDE18 6.05
AL2X6 4.56
HEAVYSB11 4.26
NBPRC 2.92
ALK8 2.76
RC21 4.99
G2RC 5.95
BH76RC 3.95
FH51 3.49
TAUT15 1.89
DC13 11.28
MB16-43 23.37
DARC 8.16
RSE43 3.04
BSR36 7.68
CDIE20 1.78
ISO34 1.87
ISOL24 7.28
C60ISO 10.46
PArel 1.75
BH76 9.30
BHPERI 3.59
BHDIV10 7.95
INV24 2.96
BHROT27 0.49
PX13 10.95
WCPT18 8.31
RG18 0.29
ADIM6 3.37
S22 2.43
S66 2.04
HEAVY28 0.44
WATER27 4.22
CARBHB12 1.15
PNICO23 0.77
HAL59 1.31
AHB21 0.93
CHB6 0.76
IL16 1.27
IDISP 10.78
ICONF 0.43
ACONF 0.58
AMINO20x4 0.50
PCONF21 3.41
MCONF 1.74
SCONF 0.46
UPU23 1.95
BUT14DIOL 0.31
Table revPBE
W4-11 7.52
G21EA 2.76
G21IP 4.19
DIPCS10 4.84
PA26 3.66
SIE4x4 22.77
ALKBDE10 5.21
YBDE18 8.73
AL2X6 9.34
HEAVYSB11 6.85
NBPRC 5.24
ALK8 4.01
RC21 2.84
G2RC 5.12
BH76RC 2.78
FH51 4.96
TAUT15 1.44
DC13 14.71
MB16-43 48.58
DARC 14.24
RSE43 2.69
BSR36 10.96
CDIE20 1.93
ISO34 2.28
ISOL24 9.73
C60ISO 10.68
PArel 1.49
BH76 7.11
BHPERI 2.96
BHDIV10 6.11
INV24 3.24
BHROT27 0.34
PX13 7.36
WCPT18 5.34
RG18 0.79
ADIM6 6.25
S22 5.20
S66 4.44
HEAVY28 1.46
WATER27 16.87
CARBHB12 1.03
PNICO23 2.05
HAL59 2.26
AHB21 2.15
CHB6 1.82
IL16 5.17
IDISP 17.69
ICONF 0.67
ACONF 1.24
AMINO20x4 0.81
PCONF21 5.01
MCONF 3.09
SCONF 1.03
UPU23 3.05
BUT14DIOL 0.86
Table RPBE
W4-11 7.44
G21EA 2.96
G21IP 4.17
DIPCS10 5.20
PA26 3.68
SIE4x4 22.83
ALKBDE10 5.06
YBDE18 9.05
AL2X6 9.56
HEAVYSB11 7.28
NBPRC 5.44
ALK8 3.99
RC21 2.89
G2RC 5.27
BH76RC 2.76
FH51 5.09
TAUT15 1.33
DC13 15.36
MB16-43 51.78
DARC 14.99
RSE43 2.59
BSR36 11.38
CDIE20 1.90
ISO34 2.35
ISOL24 10.21
C60ISO 10.86
PArel 1.46
BH76 7.08
BHPERI 3.07
BHDIV10 5.75
INV24 3.21
BHROT27 0.33
PX13 6.37
WCPT18 4.92
RG18 0.42
ADIM6 5.42
S22 4.88
S66 4.03
HEAVY28 1.20
WATER27 15.84
CARBHB12 0.88
PNICO23 1.84
HAL59 2.03
AHB21 2.14
CHB6 1.40
IL16 5.15
IDISP 18.03
ICONF 0.70
ACONF 1.25
AMINO20x4 0.84
PCONF21 4.79
MCONF 3.02
SCONF 1.32
UPU23 2.89
BUT14DIOL 0.95
Table PW91
W4-11 15.22
G21EA 3.84
G21IP 3.90
DIPCS10 4.19
PA26 1.92
SIE4x4 23.57
ALKBDE10 7.08
YBDE18 5.86
AL2X6 3.87
HEAVYSB11 4.48
NBPRC 2.87
ALK8 2.50
RC21 5.49
G2RC 6.14
BH76RC 4.08
FH51 3.39
TAUT15 1.87
DC13 10.29
MB16-43 20.49
DARC 7.13
RSE43 3.08
BSR36 7.76
CDIE20 1.75
ISO34 1.71
ISOL24 6.89
C60ISO 10.31
PArel 1.83
BH76 9.60
BHPERI 4.23
BHDIV10 8.22
INV24 2.96
BHROT27 0.49
PX13 11.94
WCPT18 8.73
RG18 0.39
ADIM6 3.01
S22 2.22
S66 1.83
HEAVY28 0.36
WATER27 5.76
CARBHB12 1.40
PNICO23 0.74
HAL59 1.26
AHB21 1.17
CHB6 0.99
IL16 0.99
IDISP 10.62
ICONF 0.42
ACONF 0.58
AMINO20x4 0.50
PCONF21 3.41
MCONF 1.70
SCONF 0.42
UPU23 1.88
BUT14DIOL 0.30
Table BLYP
W4-11 7.50
G21EA 3.28
G21IP 4.67
DIPCS10 7.90
PA26 2.44
SIE4x4 24.73
ALKBDE10 5.73
YBDE18 11.13
AL2X6 12.02
HEAVYSB11 8.03
NBPRC 7.29
ALK8 8.58
RC21 4.19
G2RC 5.99
BH76RC 3.21
FH51 6.49
TAUT15 1.60
DC13 21.87
MB16-43 67.87
DARC 23.22
RSE43 3.12
BSR36 11.59
CDIE20 1.61
ISO34 3.29
ISOL24 13.44
C60ISO 10.18
PArel 1.75
BH76 8.32
BHPERI 4.56
BHDIV10 5.31
INV24 3.07
BHROT27 0.41
PX13 6.93
WCPT18 4.07
RG18 1.04
ADIM6 6.07
S22 4.75
S66 4.07
HEAVY28 1.55
WATER27 9.00
CARBHB12 0.90
PNICO23 2.13
HAL59 2.03
AHB21 1.81
CHB6 1.69
IL16 4.86
IDISP 19.19
ICONF 0.69
ACONF 1.08
AMINO20x4 0.77
PCONF21 4.56
MCONF 2.97
SCONF 0.61
UPU23 2.90
BUT14DIOL 0.44
Table BP86
W4-11 13.14
G21EA 5.08
G21IP 4.10
DIPCS10 4.02
PA26 2.32
SIE4x4 24.21
ALKBDE10 5.89
YBDE18 6.74
AL2X6 6.80
HEAVYSB11 5.35
NBPRC 3.33
ALK8 4.33
RC21 3.93
G2RC 5.06
BH76RC 3.50
FH51 4.07
TAUT15 1.82
DC13 12.56
MB16-43 31.78
DARC 10.95
RSE43 2.94
BSR36 8.45
CDIE20 1.78
ISO34 1.90
ISOL24 8.07
C60ISO 10.69
PArel 1.81
BH76 9.15
BHPERI 2.66
BHDIV10 7.64
INV24 2.87
BHROT27 0.42
PX13 11.64
WCPT18 7.67
RG18 1.45
ADIM6 5.73
S22 3.99
S66 3.59
HEAVY28 1.27
WATER27 5.97
CARBHB12 0.76
PNICO23 1.39
HAL59 1.79
AHB21 0.88
CHB6 2.03
IL16 2.90
IDISP 13.19
ICONF 0.48
ACONF 0.77
AMINO20x4 0.60
PCONF21 4.24
MCONF 2.35
SCONF 0.40
UPU23 2.60
BUT14DIOL 0.28
Table BPBE
W4-11 9.31
G21EA 2.71
G21IP 4.04
DIPCS10 4.32
PA26 3.33
SIE4x4 22.69
ALKBDE10 5.77
YBDE18 7.21
AL2X6 7.60
HEAVYSB11 5.50
NBPRC 3.96
ALK8 3.61
RC21 3.35
G2RC 5.17
BH76RC 3.22
FH51 4.31
TAUT15 1.77
DC13 12.55
MB16-43 34.57
DARC 11.27
RSE43 2.92
BSR36 9.46
CDIE20 1.95
ISO34 2.00
ISOL24 8.18
C60ISO 10.11
PArel 1.76
BH76 7.70
BHPERI 2.40
BHDIV10 7.32
INV24 3.25
BHROT27 0.42
PX13 10.51
WCPT18 6.87
RG18 1.62
ADIM6 7.13
S22 5.18
S66 4.68
HEAVY28 1.73
WATER27 14.12
CARBHB12 1.10
PNICO23 2.06
HAL59 2.34
AHB21 1.53
CHB6 2.24
IL16 4.25
IDISP 15.42
ICONF 0.56
ACONF 1.07
AMINO20x4 0.70
PCONF21 5.08
MCONF 2.90
SCONF 0.43
UPU23 3.11
BUT14DIOL 0.51
Table OPBE
W4-11 8.40
G21EA 3.10
G21IP 4.51
DIPCS10 4.99
PA26 6.21
SIE4x4 22.29
ALKBDE10 6.23
YBDE18 6.26
AL2X6 9.91
HEAVYSB11 8.27
NBPRC 5.12
ALK8 5.55
RC21 4.29
G2RC 7.39
BH76RC 3.17
FH51 4.01
TAUT15 1.44
DC13 18.10
MB16-43 42.42
DARC 6.56
RSE43 2.98
BSR36 11.54
CDIE20 2.62
ISO34 3.16
ISOL24 8.16
C60ISO 10.44
PArel 2.05
BH76 5.32
BHPERI 3.66
BHDIV10 6.84
INV24 3.07
BHROT27 0.49
PX13 8.18
WCPT18 5.87
RG18 1.33
ADIM6 9.35
S22 7.72
S66 6.80
HEAVY28 2.60
WATER27 34.99
CARBHB12 1.97
PNICO23 3.70
HAL59 4.14
AHB21 3.48
CHB6 2.65
IL16 7.45
IDISP 21.33
ICONF 0.97
ACONF 2.00
AMINO20x4 1.24
PCONF21 7.23
MCONF 4.31
SCONF 2.21
UPU23 4.02
BUT14DIOL 1.72
Table OLYP
W4-11 5.56
G21EA 2.44
G21IP 4.32
DIPCS10 7.06
PA26 4.58
SIE4x4 24.31
ALKBDE10 4.75
YBDE18 9.99
AL2X6 14.40
HEAVYSB11 10.19
NBPRC 8.12
ALK8 8.85
RC21 2.83
G2RC 5.37
BH76RC 3.01
FH51 5.79
TAUT15 1.30
DC13 15.92
MB16-43 65.88
DARC 17.86
RSE43 3.15
BSR36 13.43
CDIE20 2.25
ISO34 2.59
ISOL24 11.74
C60ISO 9.86
PArel 1.42
BH76 5.92
BHPERI 6.32
BHDIV10 4.60
INV24 3.22
BHROT27 0.40
PX13 4.58
WCPT18 3.77
RG18 0.86
ADIM6 8.52
S22 7.32
S66 6.26
HEAVY28 2.46
WATER27 30.19
CARBHB12 1.99
PNICO23 3.78
HAL59 3.91
AHB21 3.71
CHB6 1.83
IL16 8.02
IDISP 24.73
ICONF 1.00
ACONF 1.98
AMINO20x4 1.27
PCONF21 6.66
MCONF 4.34
SCONF 2.49
UPU23 3.86
BUT14DIOL 1.56
Table XLYP
W4-11 7.04
G21EA 3.62
G21IP 4.51
DIPCS10 7.15
PA26 2.60
SIE4x4 24.78
ALKBDE10 5.93
YBDE18 11.58
AL2X6 12.18
HEAVYSB11 8.51
NBPRC 7.65
ALK8 8.40
RC21 4.01
G2RC 6.37
BH76RC 3.25
FH51 6.74
TAUT15 1.53
DC13 23.38
MB16-43 72.17
DARC 24.45
RSE43 3.02
BSR36 12.14
CDIE20 1.56
ISO34 3.53
ISOL24 14.12
C60ISO 9.74
PArel 1.83
BH76 8.46
BHPERI 4.71
BHDIV10 5.08
INV24 3.38
BHROT27 0.41
PX13 5.93
WCPT18 3.55
RG18 0.57
ADIM6 5.31
S22 4.38
S66 3.62
HEAVY28 1.28
WATER27 7.54
CARBHB12 0.71
PNICO23 1.89
HAL59 1.77
AHB21 1.67
CHB6 1.58
IL16 4.71
IDISP 19.50
ICONF 0.70
ACONF 1.09
AMINO20x4 0.76
PCONF21 4.34
MCONF 2.90
SCONF 0.77
UPU23 2.79
BUT14DIOL 0.47
Table mPWLYP
W4-11 9.42
G21EA 3.60
G21IP 4.53
DIPCS10 7.41
PA26 2.25
SIE4x4 25.12
ALKBDE10 7.11
YBDE18 9.73
AL2X6 10.13
HEAVYSB11 6.40
NBPRC 6.05
ALK8 6.72
RC21 4.00
G2RC 5.36
BH76RC 3.19
FH51 5.81
TAUT15 1.65
DC13 20.65
MB16-43 57.30
DARC 20.99
RSE43 3.18
BSR36 10.92
CDIE20 1.54
ISO34 3.18
ISOL24 12.72
C60ISO 9.80
PArel 1.74
BH76 9.36
BHPERI 3.63
BHDIV10 5.69
INV24 3.28
BHROT27 0.42
PX13 7.72
WCPT18 5.03
RG18 0.46
ADIM6 4.13
S22 3.36
S66 2.68
HEAVY28 0.81
WATER27 2.31
CARBHB12 0.61
PNICO23 1.07
HAL59 1.30
AHB21 0.79
CHB6 1.27
IL16 3.34
IDISP 17.00
ICONF 0.61
ACONF 0.91
AMINO20x4 0.67
PCONF21 3.86
MCONF 2.45
SCONF 0.45
UPU23 2.41
BUT14DIOL 0.29
Table PW91P86
W4-11 20.72
G21EA 7.00
G21IP 4.67
DIPCS10 5.45
PA26 1.60
SIE4x4 24.94
ALKBDE10 8.63
YBDE18 5.82
AL2X6 3.03
HEAVYSB11 4.28
NBPRC 2.77
ALK8 1.98
RC21 6.42
G2RC 6.51
BH76RC 3.88
FH51 3.35
TAUT15 1.92
DC13 9.46
MB16-43 18.99
DARC 6.07
RSE43 3.12
BSR36 6.61
CDIE20 1.61
ISO34 1.61
ISOL24 6.53
C60ISO 10.35
PArel 1.92
BH76 11.22
BHPERI 5.61
BHDIV10 8.82
INV24 2.89
BHROT27 0.48
PX13 13.52
WCPT18 9.85
RG18 0.45
ADIM6 1.55
S22 1.54
S66 1.29
HEAVY28 0.34
WATER27 13.77
CARBHB12 2.01
PNICO23 1.20
HAL59 1.47
AHB21 1.72
CHB6 1.00
IL16 0.48
IDISP 8.13
ICONF 0.36
ACONF 0.36
AMINO20x4 0.48
PCONF21 2.66
MCONF 1.21
SCONF 0.83
UPU23 1.45
BUT14DIOL 0.65
Table mPWPW91
W4-11 11.50
G21EA 3.43
G21IP 3.92
DIPCS10 3.76
PA26 2.64
SIE4x4 23.21
ALKBDE10 6.20
YBDE18 6.39
AL2X6 5.92
HEAVYSB11 4.85
NBPRC 3.23
ALK8 2.87
RC21 4.14
G2RC 5.42
BH76RC 3.47
FH51 3.89
TAUT15 1.81
DC13 12.03
MB16-43 27.07
DARC 9.93
RSE43 2.97
BSR36 8.92
CDIE20 1.84
ISO34 1.90
ISOL24 7.80
C60ISO 10.04
PArel 1.75
BH76 8.58
BHPERI 2.68
BHDIV10 7.56
INV24 3.11
BHROT27 0.44
PX13 10.83
WCPT18 7.50
RG18 0.64
ADIM6 5.08
S22 3.67
S66 3.19
HEAVY28 0.95
WATER27 5.62
CARBHB12 0.74
PNICO23 1.16
HAL59 1.59
AHB21 0.80
CHB6 0.95
IL16 2.70
IDISP 13.35
ICONF 0.48
ACONF 0.85
AMINO20x4 0.60
PCONF21 4.27
MCONF 2.33
SCONF 0.38
UPU23 2.54
BUT14DIOL 0.32
Table rPW86PBE
W4-11 8.85
G21EA 5.40
G21IP 4.53
DIPCS10 4.59
PA26 2.74
SIE4x4 23.05
ALKBDE10 6.57
YBDE18 8.18
AL2X6 7.37
HEAVYSB11 4.89
NBPRC 4.54
ALK8 2.75
RC21 3.38
G2RC 4.70
BH76RC 3.05
FH51 4.98
TAUT15 1.71
DC13 18.82
MB16-43 43.06
DARC 16.88
RSE43 2.73
BSR36 9.93
CDIE20 1.68
ISO34 2.66
ISOL24 10.98
C60ISO 9.69
PArel 1.56
BH76 8.40
BHPERI 2.57
BHDIV10 5.93
INV24 3.02
BHROT27 0.42
PX13 7.01
WCPT18 5.20
RG18 0.50
ADIM6 3.53
S22 2.81
S66 2.28
HEAVY28 0.51
WATER27 1.67
CARBHB12 0.70
PNICO23 0.70
HAL59 1.22
AHB21 0.66
CHB6 1.13
IL16 2.27
IDISP 13.58
ICONF 0.51
ACONF 0.60
AMINO20x4 0.52
PCONF21 3.20
MCONF 1.90
SCONF 0.30
UPU23 2.13
BUT14DIOL 0.23
Table B97-D
W4-11 4.24
G21EA 2.35
G21IP 3.47
DIPCS10 5.04
PA26 4.90
SIE4x4 23.78
ALKBDE10 5.05
YBDE18 10.48
AL2X6 12.52
HEAVYSB11 9.06
NBPRC 7.82
ALK8 8.93
RC21 3.24
G2RC 5.57
BH76RC 3.05
FH51 6.03
TAUT15 1.47
DC13 20.74
MB16-43 73.22
DARC 22.18
RSE43 3.35
BSR36 12.32
CDIE20 1.96
ISO34 2.95
ISOL24 13.07
C60ISO 9.60
PArel 1.48
BH76 6.04
BHPERI 5.00
BHDIV10 4.87
INV24 2.94
BHROT27 0.34
PX13 6.17
WCPT18 3.29
RG18 0.87
ADIM6 6.35
S22 5.23
S66 4.51
HEAVY28 1.40
WATER27 17.23
CARBHB12 1.06
PNICO23 2.20
HAL59 2.31
AHB21 2.06
CHB6 2.79
IL16 5.45
IDISP 20.51
ICONF 0.75
ACONF 1.30
AMINO20x4 0.90
PCONF21 5.08
MCONF 3.18
SCONF 1.30
UPU23 3.06
BUT14DIOL 0.88
Table HCTH407
W4-11 5.52
G21EA 4.82
G21IP 4.81
DIPCS10 6.38
PA26 4.40
SIE4x4 23.51
ALKBDE10 4.85
YBDE18 8.28
AL2X6 11.97
HEAVYSB11 8.85
NBPRC 6.28
ALK8 5.14
RC21 2.64
G2RC 4.39
BH76RC 2.66
FH51 4.84
TAUT15 1.49
DC13 16.83
MB16-43 54.32
DARC 16.53
RSE43 3.32
BSR36 12.13
CDIE20 2.35
ISO34 2.80
ISOL24 11.81
C60ISO 9.06
PArel 1.42
BH76 5.45
BHPERI 5.16
BHDIV10 4.35
INV24 2.81
BHROT27 0.51
PX13 4.12
WCPT18 3.39
RG18 0.61
ADIM6 3.84
S22 4.21
S66 3.19
HEAVY28 0.77
WATER27 13.60
CARBHB12 0.69
PNICO23 1.70
HAL59 1.79
AHB21 1.49
CHB6 1.33
IL16 4.92
IDISP 20.93
ICONF 0.95
ACONF 1.53
AMINO20x4 1.05
PCONF21 4.94
MCONF 2.99
SCONF 2.45
UPU23 2.58
BUT14DIOL 1.19
Table N12
W4-11 7.42
G21EA 3.53
G21IP 4.87
DIPCS10 7.73
PA26 3.40
SIE4x4 21.10
ALKBDE10 6.85
YBDE18 5.59
AL2X6 5.72
HEAVYSB11 5.06
NBPRC 2.95
ALK8 3.89
RC21 5.19
G2RC 5.67
BH76RC 3.65
FH51 2.80
TAUT15 2.30
DC13 8.80
MB16-43 17.74
DARC 6.70
RSE43 3.06
BSR36 8.11
CDIE20 1.84
ISO34 1.74
ISOL24 6.92
C60ISO 8.74
PArel 1.79
BH76 7.23
BHPERI 2.29
BHDIV10 7.09
INV24 3.55
BHROT27 0.86
PX13 8.51
WCPT18 5.93
RG18 1.07
ADIM6 6.41
S22 3.94
S66 3.62
HEAVY28 1.66
WATER27 5.13
CARBHB12 0.89
PNICO23 1.74
HAL59 1.94
AHB21 1.40
CHB6 1.42
IL16 2.40
IDISP 13.65
ICONF 0.61
ACONF 0.88
AMINO20x4 0.69
PCONF21 4.64
MCONF 2.56
SCONF 0.38
UPU23 2.65
BUT14DIOL 0.33
Table PKZB
W4-11 5.60
G21EA 2.25
G21IP 4.39
DIPCS10 9.75
PA26 4.10
SIE4x4 22.25
ALKBDE10 7.37
YBDE18 7.93
AL2X6 6.57
HEAVYSB11 6.31
NBPRC 5.81
ALK8 3.40
RC21 3.28
G2RC 7.89
BH76RC 3.67
FH51 4.99
TAUT15 1.03
DC13 12.09
MB16-43 54.78
DARC 11.16
RSE43 2.56
BSR36 2.39
CDIE20 1.61
ISO34 2.29
ISOL24 7.77
C60ISO 12.28
PArel 1.70
BH76 5.63
BHPERI 2.86
BHDIV10 4.36
INV24 2.33
BHROT27 0.46
PX13 2.16
WCPT18 4.50
RG18 0.45
ADIM6 3.74
S22 4.95
S66 4.00
HEAVY28 1.75
WATER27 31.23
CARBHB12 2.40
PNICO23 2.57
HAL59 2.75
AHB21 4.43
CHB6 1.85
IL16 6.24
IDISP 10.30
ICONF 0.47
ACONF 0.75
AMINO20x4 0.86
PCONF21 1.88
MCONF 1.84
SCONF 1.81
UPU23 2.00
BUT14DIOL 1.81
Table TPSS
W4-11 5.11
G21EA 2.21
G21IP 3.95
DIPCS10 3.69
PA26 4.38
SIE4x4 21.56
ALKBDE10 4.26
YBDE18 7.29
AL2X6 3.96
HEAVYSB11 4.44
NBPRC 2.78
ALK8 1.61
RC21 3.14
G2RC 6.57
BH76RC 3.63
FH51 5.09
TAUT15 1.61
DC13 12.56
MB16-43 47.14
DARC 11.39
RSE43 2.17
BSR36 10.21
CDIE20 1.86
ISO34 2.64
ISOL24 8.87
C60ISO 8.80
PArel 1.54
BH76 8.63
BHPERI 2.26
BHDIV10 6.09
INV24 2.72
BHROT27 0.54
PX13 8.35
WCPT18 5.45
RG18 0.48
ADIM6 4.70
S22 3.44
S66 2.99
HEAVY28 0.86
WATER27 4.65
CARBHB12 0.63
PNICO23 0.94
HAL59 1.55
AHB21 0.71
CHB6 1.02
IL16 2.92
IDISP 12.85
ICONF 0.37
ACONF 0.75
AMINO20x4 0.53
PCONF21 3.99
MCONF 2.23
SCONF 0.42
UPU23 2.36
BUT14DIOL 0.30
Table revTPSS
W4-11 5.19
G21EA 2.32
G21IP 3.99
DIPCS10 4.47
PA26 4.20
SIE4x4 21.02
ALKBDE10 4.40
YBDE18 6.25
AL2X6 2.77
HEAVYSB11 3.79
NBPRC 2.43
ALK8 1.85
RC21 3.81
G2RC 9.98
BH76RC 4.76
FH51 5.77
TAUT15 1.29
DC13 10.39
MB16-43 54.64
DARC 7.72
RSE43 1.90
BSR36 7.49
CDIE20 1.67
ISO34 3.11
ISOL24 7.77
C60ISO 9.88
PArel 1.50
BH76 8.34
BHPERI 3.00
BHDIV10 5.49
INV24 2.32
BHROT27 0.51
PX13 5.73
WCPT18 4.69
RG18 0.50
ADIM6 4.20
S22 3.05
S66 2.66
HEAVY28 0.73
WATER27 4.15
CARBHB12 0.50
PNICO23 0.79
HAL59 1.42
AHB21 0.78
CHB6 0.90
IL16 2.75
IDISP 8.92
ICONF 0.33
ACONF 0.57
AMINO20x4 0.44
PCONF21 3.06
MCONF 1.78
SCONF 0.62
UPU23 2.05
BUT14DIOL 0.33
Table SCAN
W4-11 4.01
G21EA 3.64
G21IP 4.69
DIPCS10 4.92
PA26 3.09
SIE4x4 17.91
ALKBDE10 19.21
YBDE18 3.61
AL2X6 1.44
HEAVYSB11 7.17
NBPRC 2.04
ALK8 2.92
RC21 6.29
G2RC 6.24
BH76RC 3.38
FH51 2.58
TAUT15 1.74
DC13 7.19
MB16-43 15.68
DARC 2.53
RSE43 1.33
BSR36 2.81
CDIE20 1.49
ISO34 1.35
ISOL24 3.89
C60ISO 6.12
PArel 1.50
BH76 7.66
BHPERI 4.77
BHDIV10 6.50
INV24 1.20
BHROT27 0.84
PX13 8.25
WCPT18 6.04
RG18 0.22
ADIM6 1.70
S22 0.93
S66 0.88
HEAVY28 0.40
WATER27 7.99
CARBHB12 1.11
PNICO23 0.87
HAL59 1.06
AHB21 1.50
CHB6 0.43
IL16 0.52
IDISP 4.84
ICONF 0.32
ACONF 0.32
AMINO20x4 0.26
PCONF21 0.88
MCONF 0.51
SCONF 0.54
UPU23 0.81
BUT14DIOL 0.32
Table HCTH
W4-11 4.27
G21EA 3.08
G21IP 4.04
DIPCS10 4.24
PA26 5.02
SIE4x4 22.94
ALKBDE10 5.70
YBDE18 7.17
AL2X6 9.84
HEAVYSB11 6.86
NBPRC 5.20
ALK8 5.95
RC21 2.85
G2RC 4.36
BH76RC 2.64
FH51 4.46
TAUT15 1.66
DC13 15.67
MB16-43 56.18
DARC 15.00
RSE43 3.30
BSR36 13.45
CDIE20 2.18
ISO34 2.48
ISOL24 10.69
C60ISO 8.83
PArel 1.56
BH76 6.56
BHPERI 2.80
BHDIV10 5.58
INV24 3.16
BHROT27 0.46
PX13 8.95
WCPT18 5.22
RG18 0.32
ADIM6 5.19
S22 3.99
S66 3.37
HEAVY28 0.74
WATER27 7.18
CARBHB12 0.69
PNICO23 1.17
HAL59 1.62
AHB21 0.81
CHB6 1.38
IL16 3.20
IDISP 18.56
ICONF 0.73
ACONF 1.26
AMINO20x4 0.83
PCONF21 5.30
MCONF 2.97
SCONF 0.86
UPU23 2.73
BUT14DIOL 0.58
Table M06L
W4-11 4.46
G21EA 3.80
G21IP 4.46
DIPCS10 8.42
PA26 5.09
SIE4x4 17.94
ALKBDE10 5.59
YBDE18 4.90
AL2X6 0.80
HEAVYSB11 2.71
NBPRC 4.04
ALK8 3.76
RC21 3.04
G2RC 5.89
BH76RC 2.92
FH51 2.67
TAUT15 1.45
DC13 10.47
MB16-43 63.92
DARC 8.30
RSE43 2.68
BSR36 5.64
CDIE20 2.22
ISO34 2.31
ISOL24 6.71
C60ISO 7.20
PArel 1.63
BH76 3.92
BHPERI 1.91
BHDIV10 3.09
INV24 1.47
BHROT27 0.98
PX13 0.92
WCPT18 2.09
RG18 0.32
ADIM6 0.17
S22 0.81
S66 0.59
HEAVY28 0.56
WATER27 1.95
CARBHB12 0.46
PNICO23 0.40
HAL59 0.56
AHB21 0.49
CHB6 1.90
IL16 0.62
IDISP 6.37
ICONF 0.30
ACONF 0.46
AMINO20x4 0.35
PCONF21 1.02
MCONF 0.81
SCONF 0.41
UPU23 0.50
BUT14DIOL 0.21
Table M11L
W4-11 6.57
G21EA 5.66
G21IP 3.86
DIPCS10 7.37
PA26 4.06
SIE4x4 11.34
ALKBDE10 10.80
YBDE18 5.45
AL2X6 8.06
HEAVYSB11 3.33
NBPRC 4.84
ALK8 10.64
RC21 2.16
G2RC 5.63
BH76RC 3.24
FH51 2.59
TAUT15 1.49
DC13 9.12
MB16-43 51.73
DARC 4.81
RSE43 2.47
BSR36 2.73
CDIE20 1.75
ISO34 1.31
ISOL24 4.92
C60ISO 6.55
PArel 2.34
BH76 2.16
BHPERI 2.80
BHDIV10 3.33
INV24 2.20
BHROT27 0.63
PX13 1.91
WCPT18 2.25
RG18 1.64
ADIM6 0.75
S22 1.36
S66 1.14
HEAVY28 0.53
WATER27 10.66
CARBHB12 1.53
PNICO23 0.66
HAL59 1.43
AHB21 1.48
CHB6 1.20
IL16 0.78
IDISP 4.02
ICONF 0.36
ACONF 0.22
AMINO20x4 0.56
PCONF21 0.63
MCONF 0.54
SCONF 0.67
UPU23 0.85
BUT14DIOL 0.52
Table MN12L
W4-11 4.16
G21EA 3.41
G21IP 4.65
DIPCS10 14.64
PA26 3.11
SIE4x4 9.22
ALKBDE10 7.74
YBDE18 6.78
AL2X6 1.52
HEAVYSB11 8.61
NBPRC 2.64
ALK8 8.67
RC21 2.11
G2RC 6.55
BH76RC 2.34
FH51 2.38
TAUT15 2.14
DC13 8.09
MB16-43 16.54
DARC 5.83
RSE43 2.35
BSR36 1.14
CDIE20 1.84
ISO34 1.39
ISOL24 4.41
C60ISO 3.39
PArel 2.01
BH76 1.75
BHPERI 2.70
BHDIV10 2.10
INV24 2.07
BHROT27 1.16
PX13 4.57
WCPT18 1.51
RG18 1.08
ADIM6 0.57
S22 1.10
S66 0.87
HEAVY28 0.65
WATER27 11.15
CARBHB12 1.04
PNICO23 0.52
HAL59 0.95
AHB21 1.47
CHB6 0.59
IL16 1.87
IDISP 6.78
ICONF 0.49
ACONF 0.63
AMINO20x4 0.75
PCONF21 2.47
MCONF 1.05
SCONF 0.57
UPU23 0.83
BUT14DIOL 0.68
Table MN15L
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 3.54
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 12.01
CARBHB12 1.20
PNICO23 0.40
HAL59 0.59
AHB21 2.29
CHB6 0.64
IL16 2.40
IDISP 7.55
ICONF 0.53
ACONF 0.69
AMINO20x4 0.92
PCONF21 4.10
MCONF 1.61
SCONF 0.92
UPU23 1.68
BUT14DIOL 1.10
Table B3LYP
W4-11 4.22
G21EA 1.91
G21IP 3.55
DIPCS10 4.75
PA26 2.28
SIE4x4 17.63
ALKBDE10 4.57
YBDE18 8.47
AL2X6 9.05
HEAVYSB11 7.91
NBPRC 5.19
ALK8 6.07
RC21 2.30
G2RC 2.56
BH76RC 2.38
FH51 3.97
TAUT15 1.13
DC13 15.14
MB16-43 57.89
DARC 15.75
RSE43 1.96
BSR36 10.70
CDIE20 1.26
ISO34 2.31
ISOL24 9.53
C60ISO 2.01
PArel 1.17
BH76 4.94
BHPERI 4.42
BHDIV10 2.76
INV24 1.87
BHROT27 0.40
PX13 3.54
WCPT18 1.11
RG18 0.80
ADIM6 5.06
S22 3.78
S66 3.24
HEAVY28 1.30
WATER27 5.79
CARBHB12 0.62
PNICO23 1.78
HAL59 1.78
AHB21 0.86
CHB6 1.21
IL16 4.02
IDISP 16.42
ICONF 0.58
ACONF 0.96
AMINO20x4 0.66
PCONF21 3.81
MCONF 2.49
SCONF 0.73
UPU23 2.49
BUT14DIOL 0.38
Table B3PW91
W4-11 2.99
G21EA 2.14
G21IP 3.63
DIPCS10 3.14
PA26 3.49
SIE4x4 16.02
ALKBDE10 5.37
YBDE18 5.49
AL2X6 5.94
HEAVYSB11 5.34
NBPRC 2.96
ALK8 2.90
RC21 2.30
G2RC 4.07
BH76RC 1.97
FH51 2.60
TAUT15 1.23
DC13 8.90
MB16-43 29.94
DARC 7.04
RSE43 1.80
BSR36 9.56
CDIE20 1.53
ISO34 1.51
ISOL24 5.87
C60ISO 2.34
PArel 1.20
BH76 4.11
BHPERI 2.28
BHDIV10 3.91
INV24 1.87
BHROT27 0.52
PX13 6.03
WCPT18 2.95
RG18 1.23
ADIM6 5.91
S22 4.15
S66 3.74
HEAVY28 1.45
WATER27 10.09
CARBHB12 0.78
PNICO23 1.68
HAL59 2.04
AHB21 0.88
CHB6 1.13
IL16 3.65
IDISP 13.52
ICONF 0.48
ACONF 0.89
AMINO20x4 0.61
PCONF21 4.22
MCONF 2.45
SCONF 0.47
UPU23 2.70
BUT14DIOL 0.46
Table B3P86
W4-11 5.88
G21EA 3.37
G21IP 3.85
DIPCS10 3.89
PA26 2.41
SIE4x4 17.16
ALKBDE10 4.42
YBDE18 4.55
AL2X6 5.07
HEAVYSB11 4.85
NBPRC 2.75
ALK8 3.36
RC21 2.91
G2RC 4.41
BH76RC 2.59
FH51 2.46
TAUT15 1.27
DC13 8.80
MB16-43 27.83
DARC 6.24
RSE43 1.84
BSR36 8.58
CDIE20 1.40
ISO34 1.40
ISOL24 5.58
C60ISO 2.35
PArel 1.28
BH76 5.42
BHPERI 1.60
BHDIV10 4.39
INV24 1.77
BHROT27 0.52
PX13 7.37
WCPT18 3.90
RG18 1.13
ADIM6 4.83
S22 3.24
S66 2.91
HEAVY28 1.11
WATER27 4.25
CARBHB12 0.59
PNICO23 1.15
HAL59 1.53
AHB21 0.73
CHB6 0.92
IL16 2.58
IDISP 11.56
ICONF 0.42
ACONF 0.68
AMINO20x4 0.53
PCONF21 3.60
MCONF 2.02
SCONF 0.25
UPU23 2.34
BUT14DIOL 0.24
Table BHLYP
W4-11 21.50
G21EA 5.35
G21IP 4.53
DIPCS10 7.12
PA26 3.30
SIE4x4 7.14
ALKBDE10 13.74
YBDE18 8.80
AL2X6 6.53
HEAVYSB11 10.01
NBPRC 4.61
ALK8 5.77
RC21 2.47
G2RC 3.94
BH76RC 3.94
FH51 2.08
TAUT15 0.60
DC13 13.45
MB16-43 58.30
DARC 8.34
RSE43 0.58
BSR36 10.29
CDIE20 0.83
ISO34 1.62
ISOL24 6.33
C60ISO 12.59
PArel 1.23
BH76 3.50
BHPERI 7.69
BHDIV10 3.63
INV24 2.12
BHROT27 0.57
PX13 2.65
WCPT18 4.43
RG18 0.55
ADIM6 4.06
S22 2.87
S66 2.44
HEAVY28 1.12
WATER27 3.20
CARBHB12 0.59
PNICO23 1.54
HAL59 1.69
AHB21 0.94
CHB6 1.75
IL16 3.48
IDISP 14.05
ICONF 0.67
ACONF 0.88
AMINO20x4 0.61
PCONF21 2.88
MCONF 2.04
SCONF 1.06
UPU23 2.14
BUT14DIOL 0.37
Table B1P86
W4-11 4.79
G21EA 2.75
G21IP 3.77
DIPCS10 3.67
PA26 2.64
SIE4x4 15.09
ALKBDE10 5.48
YBDE18 4.55
AL2X6 4.41
HEAVYSB11 5.45
NBPRC 2.56
ALK8 3.27
RC21 3.06
G2RC 4.89
BH76RC 2.70
FH51 2.20
TAUT15 1.15
DC13 7.98
MB16-43 26.90
DARC 4.38
RSE43 1.46
BSR36 8.36
CDIE20 1.31
ISO34 1.45
ISOL24 4.65
C60ISO 2.45
PArel 1.17
BH76 4.53
BHPERI 1.40
BHDIV10 3.90
INV24 1.87
BHROT27 0.53
PX13 6.56
WCPT18 3.20
RG18 1.19
ADIM6 4.84
S22 3.17
S66 2.89
HEAVY28 1.13
WATER27 4.62
CARBHB12 0.58
PNICO23 1.13
HAL59 1.55
AHB21 0.81
CHB6 0.86
IL16 2.52
IDISP 10.73
ICONF 0.41
ACONF 0.64
AMINO20x4 0.51
PCONF21 3.45
MCONF 1.94
SCONF 0.23
UPU23 2.32
BUT14DIOL 0.23
Table B1LYP
W4-11 9.15
G21EA 2.61
G21IP 4.22
DIPCS10 6.28
PA26 2.46
SIE4x4 15.68
ALKBDE10 5.29
YBDE18 9.36
AL2X6 9.30
HEAVYSB11 9.13
NBPRC 5.50
ALK8 6.50
RC21 2.37
G2RC 2.39
BH76RC 2.39
FH51 3.87
TAUT15 0.95
DC13 15.23
MB16-43 64.03
DARC 15.91
RSE43 1.53
BSR36 11.44
CDIE20 1.12
ISO34 2.35
ISOL24 9.50
C60ISO 2.51
PArel 1.13
BH76 3.62
BHPERI 5.33
BHDIV10 2.30
INV24 1.80
BHROT27 0.37
PX13 1.85
WCPT18 0.84
RG18 0.77
ADIM6 5.05
S22 3.85
S66 3.27
HEAVY28 1.39
WATER27 6.71
CARBHB12 0.73
PNICO23 1.93
HAL59 1.93
AHB21 0.98
CHB6 1.30
IL16 4.28
IDISP 16.59
ICONF 0.58
ACONF 0.92
AMINO20x4 0.67
PCONF21 3.69
MCONF 2.52
SCONF 0.91
UPU23 2.55
BUT14DIOL 0.45
Table B1B95
W4-11 2.90
G21EA 2.01
G21IP 2.91
DIPCS10 5.38
PA26 2.33
SIE4x4 16.01
ALKBDE10 4.65
YBDE18 4.46
AL2X6 3.40
HEAVYSB11 3.72
NBPRC 2.13
ALK8 2.67
RC21 2.37
G2RC 3.29
BH76RC 1.58
FH51 2.36
TAUT15 0.98
DC13 8.65
MB16-43 15.74
DARC 5.90
RSE43 2.45
BSR36 6.28
CDIE20 1.42
ISO34 1.59
ISOL24 5.17
C60ISO 2.34
PArel 1.14
BH76 3.29
BHPERI 2.32
BHDIV10 3.15
INV24 1.70
BHROT27 0.58
PX13 2.87
WCPT18 1.99
RG18 1.00
ADIM6 4.03
S22 3.44
S66 3.02
HEAVY28 1.37
WATER27 12.74
CARBHB12 0.93
PNICO23 1.60
HAL59 1.88
AHB21 1.19
CHB6 0.98
IL16 3.72
IDISP 8.33
ICONF 0.27
ACONF 0.37
AMINO20x4 0.44
PCONF21 2.37
MCONF 1.54
SCONF 0.25
UPU23 2.09
BUT14DIOL 0.65
Table MPW1B95
W4-11 2.56
G21EA 2.10
G21IP 2.80
DIPCS10 3.91
PA26 1.95
SIE4x4 14.16
ALKBDE10 4.74
YBDE18 3.17
AL2X6 1.70
HEAVYSB11 2.94
NBPRC 2.00
ALK8 2.54
RC21 3.13
G2RC 3.98
BH76RC 1.72
FH51 1.64
TAUT15 0.95
DC13 8.70
MB16-43 10.30
DARC 3.26
RSE43 2.13
BSR36 5.69
CDIE20 1.26
ISO34 1.52
ISOL24 3.87
C60ISO 2.68
PArel 1.08
BH76 2.91
BHPERI 1.71
BHDIV10 2.66
INV24 1.51
BHROT27 0.64
PX13 2.30
WCPT18 1.67
RG18 0.41
ADIM6 2.42
S22 2.19
S66 1.83
HEAVY28 0.80
WATER27 6.13
CARBHB12 0.43
PNICO23 0.85
HAL59 1.16
AHB21 0.63
CHB6 1.38
IL16 2.48
IDISP 6.07
ICONF 0.27
ACONF 0.18
AMINO20x4 0.41
PCONF21 1.67
MCONF 1.06
SCONF 0.18
UPU23 1.63
BUT14DIOL 0.48
Table PW6B95
W4-11 2.43
G21EA 1.27
G21IP 2.77
DIPCS10 2.74
PA26 2.35
SIE4x4 15.23
ALKBDE10 4.06
YBDE18 4.12
AL2X6 2.39
HEAVYSB11 3.24
NBPRC 2.19
ALK8 2.08
RC21 2.36
G2RC 2.89
BH76RC 1.45
FH51 2.04
TAUT15 0.90
DC13 8.30
MB16-43 12.21
DARC 6.10
RSE43 2.23
BSR36 6.08
CDIE20 1.21
ISO34 1.43
ISOL24 5.13
C60ISO 1.58
PArel 0.98
BH76 3.81
BHPERI 1.92
BHDIV10 2.30
INV24 1.50
BHROT27 0.57
PX13 1.35
WCPT18 1.10
RG18 0.24
ADIM6 2.04
S22 1.96
S66 1.60
HEAVY28 0.61
WATER27 5.20
CARBHB12 0.35
PNICO23 0.73
HAL59 0.96
AHB21 0.51
CHB6 1.17
IL16 2.50
IDISP 7.13
ICONF 0.26
ACONF 0.21
AMINO20x4 0.38
PCONF21 1.38
MCONF 1.00
SCONF 0.25
UPU23 1.47
BUT14DIOL 0.50
Table MPWB1K
W4-11 7.26
G21EA 3.57
G21IP 3.10
DIPCS10 4.21
PA26 2.41
SIE4x4 9.58
ALKBDE10 8.09
YBDE18 2.26
AL2X6 0.80
HEAVYSB11 2.80
NBPRC 2.12
ALK8 2.88
RC21 3.43
G2RC 5.10
BH76RC 2.40
FH51 2.00
TAUT15 0.93
DC13 9.62
MB16-43 9.99
DARC 2.03
RSE43 1.43
BSR36 5.68
CDIE20 1.11
ISO34 1.70
ISOL24 3.04
C60ISO 7.48
PArel 1.23
BH76 1.31
BHPERI 2.79
BHDIV10 1.54
INV24 1.89
BHROT27 0.74
PX13 0.69
WCPT18 0.86
RG18 0.40
ADIM6 2.19
S22 1.89
S66 1.60
HEAVY28 0.79
WATER27 5.56
CARBHB12 0.42
PNICO23 0.76
HAL59 1.16
AHB21 0.85
CHB6 1.61
IL16 2.32
IDISP 4.93
ICONF 0.35
ACONF 0.12
AMINO20x4 0.43
PCONF21 1.39
MCONF 0.90
SCONF 0.26
UPU23 1.58
BUT14DIOL 0.52
Table mPW1LYP
W4-11 6.61
G21EA 2.23
G21IP 4.08
DIPCS10 5.97
PA26 1.96
SIE4x4 16.00
ALKBDE10 4.63
YBDE18 7.87
AL2X6 7.86
HEAVYSB11 7.90
NBPRC 4.76
ALK8 5.54
RC21 2.21
G2RC 2.50
BH76RC 2.21
FH51 3.38
TAUT15 1.01
DC13 14.45
MB16-43 56.02
DARC 14.23
RSE43 1.57
BSR36 10.90
CDIE20 1.06
ISO34 2.26
ISOL24 8.99
C60ISO 2.50
PArel 1.12
BH76 4.27
BHPERI 4.26
BHDIV10 2.24
INV24 1.66
BHROT27 0.40
PX13 2.46
WCPT18 1.14
RG18 0.38
ADIM6 3.59
S22 2.79
S66 2.25
HEAVY28 0.82
WATER27 1.77
CARBHB12 0.47
PNICO23 1.14
HAL59 1.19
AHB21 0.51
CHB6 1.61
IL16 3.12
IDISP 14.92
ICONF 0.54
ACONF 0.77
AMINO20x4 0.59
PCONF21 3.15
MCONF 2.12
SCONF 0.73
UPU23 2.15
BUT14DIOL 0.29
Table MPW1PW91
W4-11 4.71
G21EA 2.66
G21IP 3.72
DIPCS10 3.02
PA26 3.31
SIE4x4 13.98
ALKBDE10 6.12
YBDE18 4.29
AL2X6 4.02
HEAVYSB11 4.79
NBPRC 2.57
ALK8 1.92
RC21 3.03
G2RC 5.14
BH76RC 2.04
FH51 2.19
TAUT15 1.12
DC13 8.52
MB16-43 22.95
DARC 4.13
RSE43 1.44
BSR36 8.99
CDIE20 1.39
ISO34 1.56
ISOL24 4.53
C60ISO 2.53
PArel 1.13
BH76 3.61
BHPERI 1.53
BHDIV10 3.68
INV24 1.66
BHROT27 0.56
PX13 5.50
WCPT18 2.77
RG18 0.61
ADIM6 4.66
S22 3.18
S66 2.82
HEAVY28 0.99
WATER27 5.80
CARBHB12 0.55
PNICO23 1.07
HAL59 1.50
AHB21 0.87
CHB6 1.00
IL16 2.66
IDISP 11.40
ICONF 0.44
ACONF 0.73
AMINO20x4 0.54
PCONF21 3.65
MCONF 2.06
SCONF 0.39
UPU23 2.34
BUT14DIOL 0.36
Table PW1PW
W4-11 3.23
G21EA 2.45
G21IP 3.68
DIPCS10 3.14
PA26 2.59
SIE4x4 14.29
ALKBDE10 5.25
YBDE18 2.55
AL2X6 2.53
HEAVYSB11 3.33
NBPRC 2.58
ALK8 1.77
RC21 4.18
G2RC 6.07
BH76RC 2.32
FH51 2.50
TAUT15 1.17
DC13 8.18
MB16-43 17.33
DARC 3.11
RSE43 1.50
BSR36 8.17
CDIE20 1.33
ISO34 1.53
ISOL24 3.99
C60ISO 2.49
PArel 1.19
BH76 4.37
BHPERI 1.24
BHDIV10 4.20
INV24 1.50
BHROT27 0.60
PX13 6.37
WCPT18 3.69
RG18 0.29
ADIM6 3.07
S22 2.12
S66 1.78
HEAVY28 0.45
WATER27 2.67
CARBHB12 0.90
PNICO23 0.55
HAL59 0.98
AHB21 1.16
CHB6 1.38
IL16 1.35
IDISP 9.26
ICONF 0.38
ACONF 0.54
AMINO20x4 0.46
PCONF21 3.00
MCONF 1.57
SCONF 0.23
UPU23 1.88
BUT14DIOL 0.20
Table MPW1KCIS
W4-11 8.54
G21EA 1.77
G21IP 3.33
DIPCS10 4.23
PA26 2.11
SIE4x4 18.91
ALKBDE10 4.43
YBDE18 5.52
AL2X6 6.76
HEAVYSB11 4.78
NBPRC 3.66
ALK8 3.72
RC21 2.74
G2RC 4.36
BH76RC 2.53
FH51 2.75
TAUT15 1.30
DC13 10.29
MB16-43 24.74
DARC 8.53
RSE43 2.62
BSR36 8.92
CDIE20 1.67
ISO34 1.83
ISOL24 6.91
C60ISO 3.86
PArel 1.31
BH76 5.71
BHPERI 2.36
BHDIV10 4.97
INV24 2.17
BHROT27 0.44
PX13 6.46
WCPT18 4.29
RG18 0.52
ADIM6 4.84
S22 3.65
S66 3.12
HEAVY28 1.01
WATER27 7.44
CARBHB12 0.57
PNICO23 1.35
HAL59 1.61
AHB21 0.74
CHB6 0.96
IL16 3.23
IDISP 14.56
ICONF 0.57
ACONF 0.96
AMINO20x4 0.65
PCONF21 4.08
MCONF 2.38
SCONF 0.72
UPU23 2.44
BUT14DIOL 0.47
Table MPWKCIS1K
W4-11 8.17
G21EA 3.40
G21IP 3.44
DIPCS10 3.68
PA26 2.89
SIE4x4 9.58
ALKBDE10 8.57
YBDE18 3.89
AL2X6 4.68
HEAVYSB11 5.85
NBPRC 2.99
ALK8 2.68
RC21 3.16
G2RC 6.54
BH76RC 2.37
FH51 2.65
TAUT15 0.90
DC13 8.93
MB16-43 20.85
DARC 3.09
RSE43 1.27
BSR36 8.48
CDIE20 1.32
ISO34 1.93
ISOL24 4.16
C60ISO 7.88
PArel 1.11
BH76 1.87
BHPERI 4.23
BHDIV10 1.90
INV24 1.92
BHROT27 0.63
PX13 1.31
WCPT18 1.06
RG18 0.52
ADIM6 4.36
S22 3.07
S66 2.66
HEAVY28 0.98
WATER27 6.68
CARBHB12 0.50
PNICO23 1.23
HAL59 1.67
AHB21 0.99
CHB6 1.06
IL16 3.00
IDISP 12.45
ICONF 0.58
ACONF 0.91
AMINO20x4 0.62
PCONF21 3.42
MCONF 2.06
SCONF 1.06
UPU23 2.21
BUT14DIOL 0.51
Table PBE0
W4-11 3.62
G21EA 2.62
G21IP 3.68
DIPCS10 2.99
PA26 2.56
SIE4x4 14.15
ALKBDE10 5.83
YBDE18 2.55
AL2X6 2.76
HEAVYSB11 3.58
NBPRC 2.55
ALK8 1.87
RC21 4.22
G2RC 6.21
BH76RC 2.37
FH51 2.47
TAUT15 1.15
DC13 8.87
MB16-43 17.55
DARC 3.10
RSE43 1.59
BSR36 7.59
CDIE20 1.38
ISO34 1.64
ISOL24 3.96
C60ISO 2.16
PArel 1.22
BH76 4.62
BHPERI 1.30
BHDIV10 4.27
INV24 1.54
BHROT27 0.59
PX13 6.18
WCPT18 3.72
RG18 0.34
ADIM6 3.44
S22 2.37
S66 2.03
HEAVY28 0.58
WATER27 2.21
CARBHB12 0.72
PNICO23 0.65
HAL59 1.09
AHB21 0.94
CHB6 1.08
IL16 1.73
IDISP 9.51
ICONF 0.40
ACONF 0.63
AMINO20x4 0.48
PCONF21 3.06
MCONF 1.65
SCONF 0.28
UPU23 1.90
BUT14DIOL 0.23
Table PBEh1PBE
W4-11 3.77
G21EA 2.68
G21IP 3.71
DIPCS10 3.01
PA26 2.44
SIE4x4 14.07
ALKBDE10 5.83
YBDE18 2.91
AL2X6 2.91
HEAVYSB11 3.39
NBPRC 2.48
ALK8 1.84
RC21 3.82
G2RC 5.84
BH76RC 2.29
FH51 2.36
TAUT15 1.18
DC13 8.08
MB16-43 19.07
DARC 3.33
RSE43 1.56
BSR36 7.60
CDIE20 1.35
ISO34 1.54
ISOL24 4.14
C60ISO 2.43
PArel 1.16
BH76 4.14
BHPERI 1.20
BHDIV10 4.05
INV24 1.52
BHROT27 0.60
PX13 5.74
WCPT18 3.49
RG18 0.33
ADIM6 3.44
S22 2.30
S66 1.97
HEAVY28 0.55
WATER27 2.11
CARBHB12 0.76
PNICO23 0.61
HAL59 1.06
AHB21 1.00
CHB6 1.07
IL16 1.58
IDISP 9.52
ICONF 0.40
ACONF 0.61
AMINO20x4 0.47
PCONF21 3.02
MCONF 1.60
SCONF 0.22
UPU23 1.88
BUT14DIOL 0.20
Table PBE1KCIS
W4-11 7.74
G21EA 1.68
G21IP 3.33
DIPCS10 4.33
PA26 1.77
SIE4x4 16.66
ALKBDE10 4.40
YBDE18 4.15
AL2X6 5.06
HEAVYSB11 4.14
NBPRC 3.20
ALK8 3.17
RC21 3.53
G2RC 5.34
BH76RC 2.42
FH51 2.27
TAUT15 1.15
DC13 8.22
MB16-43 19.03
DARC 5.32
RSE43 2.29
BSR36 8.05
CDIE20 1.53
ISO34 1.70
ISOL24 5.45
C60ISO 2.22
PArel 1.13
BH76 4.91
BHPERI 1.90
BHDIV10 4.30
INV24 1.73
BHROT27 0.50
PX13 5.20
WCPT18 3.62
RG18 0.25
ADIM6 3.30
S22 2.58
S66 2.09
HEAVY28 0.57
WATER27 2.55
CARBHB12 0.61
PNICO23 0.80
HAL59 1.08
AHB21 0.64
CHB6 0.90
IL16 2.24
IDISP 12.21
ICONF 0.52
ACONF 0.78
AMINO20x4 0.56
PCONF21 3.25
MCONF 1.87
SCONF 0.73
UPU23 1.95
BUT14DIOL 0.34
Table X3LYP
W4-11 3.74
G21EA 1.88
G21IP 3.72
DIPCS10 5.17
PA26 1.90
SIE4x4 17.14
ALKBDE10 4.52
YBDE18 7.51
AL2X6 8.02
HEAVYSB11 7.23
NBPRC 4.56
ALK8 5.42
RC21 2.23
G2RC 2.49
BH76RC 2.21
FH51 3.50
TAUT15 1.12
DC13 14.16
MB16-43 52.45
DARC 14.10
RSE43 1.83
BSR36 10.59
CDIE20 1.17
ISO34 2.17
ISOL24 8.87
C60ISO 2.17
PArel 1.12
BH76 4.78
BHPERI 3.85
BHDIV10 2.72
INV24 1.74
BHROT27 0.41
PX13 3.76
WCPT18 1.38
RG18 0.44
ADIM6 4.18
S22 3.14
S66 2.61
HEAVY28 1.02
WATER27 2.54
CARBHB12 0.48
PNICO23 1.33
HAL59 1.40
AHB21 0.53
CHB6 1.28
IL16 3.30
IDISP 15.00
ICONF 0.53
ACONF 0.80
AMINO20x4 0.60
PCONF21 3.42
MCONF 2.21
SCONF 0.61
UPU23 2.28
BUT14DIOL 0.29
Table O3LYP
W4-11 17.96
G21EA 1.91
G21IP 3.12
DIPCS10 3.92
PA26 1.74
SIE4x4 21.07
ALKBDE10 5.86
YBDE18 5.01
AL2X6 5.37
HEAVYSB11 5.10
NBPRC 2.70
ALK8 3.47
RC21 5.99
G2RC 6.22
BH76RC 3.28
FH51 2.60
TAUT15 1.67
DC13 9.10
MB16-43 18.02
DARC 4.79
RSE43 3.02
BSR36 8.28
CDIE20 1.82
ISO34 1.90
ISOL24 5.78
C60ISO 4.22
PArel 1.75
BH76 7.05
BHPERI 1.71
BHDIV10 5.78
INV24 2.07
BHROT27 0.68
PX13 9.78
WCPT18 6.16
RG18 0.41
ADIM6 4.58
S22 3.22
S66 2.77
HEAVY28 1.04
WATER27 3.44
CARBHB12 0.74
PNICO23 1.20
HAL59 1.50
AHB21 1.03
CHB6 1.56
IL16 2.28
IDISP 13.03
ICONF 0.57
ACONF 1.01
AMINO20x4 0.66
PCONF21 4.35
MCONF 2.31
SCONF 0.47
UPU23 2.29
BUT14DIOL 0.33
Table B97-1
W4-11 3.46
G21EA 1.45
G21IP 2.86
DIPCS10 4.56
PA26 3.51
SIE4x4 16.59
ALKBDE10 3.57
YBDE18 4.95
AL2X6 4.93
HEAVYSB11 3.11
NBPRC 2.89
ALK8 1.87
RC21 3.04
G2RC 3.87
BH76RC 2.11
FH51 2.57
TAUT15 0.96
DC13 8.64
MB16-43 33.11
DARC 7.07
RSE43 2.29
BSR36 9.62
CDIE20 1.11
ISO34 1.37
ISOL24 6.01
C60ISO 2.19
PArel 0.97
BH76 4.21
BHPERI 1.74
BHDIV10 3.50
INV24 1.69
BHROT27 0.38
PX13 3.72
WCPT18 2.45
RG18 0.22
ADIM6 2.82
S22 2.35
S66 1.85
HEAVY28 0.40
WATER27 2.04
CARBHB12 0.57
PNICO23 0.58
HAL59 0.94
AHB21 0.52
CHB6 0.82
IL16 2.34
IDISP 11.82
ICONF 0.39
ACONF 0.62
AMINO20x4 0.48
PCONF21 2.76
MCONF 1.71
SCONF 0.63
UPU23 1.83
BUT14DIOL 0.34
Table B97-2
W4-11 3.18
G21EA 2.13
G21IP 2.62
DIPCS10 4.73
PA26 4.87
SIE4x4 16.07
ALKBDE10 4.32
YBDE18 4.80
AL2X6 7.20
HEAVYSB11 3.62
NBPRC 3.66
ALK8 3.43
RC21 2.48
G2RC 3.65
BH76RC 1.87
FH51 2.63
TAUT15 0.99
DC13 9.41
MB16-43 41.64
DARC 8.44
RSE43 2.61
BSR36 10.42
CDIE20 1.59
ISO34 1.67
ISOL24 6.75
C60ISO 2.18
PArel 0.97
BH76 2.93
BHPERI 3.40
BHDIV10 2.70
INV24 1.83
BHROT27 0.49
PX13 3.14
WCPT18 1.31
RG18 0.69
ADIM6 5.16
S22 3.97
S66 3.43
HEAVY28 1.14
WATER27 11.75
CARBHB12 0.68
PNICO23 1.57
HAL59 1.94
AHB21 0.96
CHB6 1.06
IL16 3.95
IDISP 15.13
ICONF 0.60
ACONF 1.04
AMINO20x4 0.69
PCONF21 4.04
MCONF 2.48
SCONF 1.11
UPU23 2.51
BUT14DIOL 0.71
Table B98
W4-11 2.68
G21EA 1.46
G21IP 2.97
DIPCS10 3.64
PA26 3.57
SIE4x4 16.35
ALKBDE10 3.52
YBDE18 5.59
AL2X6 5.73
HEAVYSB11 4.26
NBPRC 3.22
ALK8 3.17
RC21 2.42
G2RC 3.43
BH76RC 1.67
FH51 2.63
TAUT15 0.97
DC13 9.57
MB16-43 38.21
DARC 8.63
RSE43 2.14
BSR36 9.99
CDIE20 1.08
ISO34 1.54
ISOL24 6.66
C60ISO 2.06
PArel 0.98
BH76 4.04
BHPERI 2.28
BHDIV10 3.27
INV24 1.82
BHROT27 0.40
PX13 3.96
WCPT18 2.12
RG18 0.29
ADIM6 3.48
S22 2.76
S66 2.25
HEAVY28 0.62
WATER27 3.66
CARBHB12 0.50
PNICO23 0.84
HAL59 1.19
AHB21 0.57
CHB6 0.88
IL16 2.81
IDISP 13.03
ICONF 0.42
ACONF 0.73
AMINO20x4 0.54
PCONF21 3.13
MCONF 1.94
SCONF 0.70
UPU23 2.03
BUT14DIOL 0.39
Table HISS
W4-11 7.96
G21EA 3.65
G21IP 4.19
DIPCS10 4.42
PA26 3.26
SIE4x4 8.64
ALKBDE10 6.12
YBDE18 3.07
AL2X6 1.89
HEAVYSB11 4.22
NBPRC 2.80
ALK8 2.75
RC21 4.16
G2RC 7.54
BH76RC 2.40
FH51 3.53
TAUT15 1.17
DC13 10.22
MB16-43 20.40
DARC 3.90
RSE43 0.67
BSR36 7.67
CDIE20 1.34
ISO34 1.98
ISOL24 3.32
C60ISO 5.25
PArel 1.31
BH76 1.55
BHPERI 2.25
BHDIV10 1.75
INV24 2.08
BHROT27 0.89
PX13 2.87
WCPT18 2.15
RG18 0.32
ADIM6 3.20
S22 2.03
S66 1.76
HEAVY28 0.48
WATER27 2.39
CARBHB12 0.78
PNICO23 0.49
HAL59 0.97
AHB21 1.41
CHB6 1.36
IL16 1.56
IDISP 8.70
ICONF 0.51
ACONF 0.60
AMINO20x4 0.46
PCONF21 2.77
MCONF 1.41
SCONF 0.35
UPU23 1.81
BUT14DIOL 0.19
Table HSE03
W4-11 3.43
G21EA 4.46
G21IP 6.04
DIPCS10 10.22
PA26 2.88
SIE4x4 14.30
ALKBDE10 5.01
YBDE18 2.85
AL2X6 2.91
HEAVYSB11 3.17
NBPRC 2.51
ALK8 2.19
RC21 3.87
G2RC 5.71
BH76RC 2.27
FH51 2.41
TAUT15 1.22
DC13 8.33
MB16-43 18.62
DARC 3.56
RSE43 1.58
BSR36 8.09
CDIE20 1.44
ISO34 1.54
ISOL24 4.44
C60ISO 2.35
PArel 1.16
BH76 4.25
BHPERI 1.18
BHDIV10 4.02
INV24 1.52
BHROT27 0.64
PX13 5.63
WCPT18 3.36
RG18 0.27
ADIM6 3.32
S22 2.22
S66 1.90
HEAVY28 0.48
WATER27 2.73
CARBHB12 0.89
PNICO23 0.58
HAL59 1.03
AHB21 1.22
CHB6 1.10
IL16 1.27
IDISP 9.88
ICONF 0.41
ACONF 0.61
AMINO20x4 0.47
PCONF21 3.05
MCONF 1.60
SCONF 0.22
UPU23 1.86
BUT14DIOL 0.20
Table HSE06
W4-11 3.74
G21EA 2.68
G21IP 3.70
DIPCS10 3.05
PA26 2.43
SIE4x4 14.30
ALKBDE10 5.72
YBDE18 2.96
AL2X6 2.97
HEAVYSB11 3.25
NBPRC 2.48
ALK8 2.05
RC21 3.79
G2RC 5.80
BH76RC 2.29
FH51 2.35
TAUT15 1.20
DC13 8.04
MB16-43 19.02
DARC 3.55
RSE43 1.59
BSR36 7.68
CDIE20 1.42
ISO34 1.52
ISOL24 4.40
C60ISO 2.33
PArel 1.18
BH76 4.29
BHPERI 1.18
BHDIV10 4.18
INV24 1.52
BHROT27 0.62
PX13 5.80
WCPT18 3.58
RG18 0.30
ADIM6 3.38
S22 2.27
S66 1.94
HEAVY28 0.51
WATER27 2.24
CARBHB12 0.81
PNICO23 0.60
HAL59 1.04
AHB21 1.03
CHB6 1.06
IL16 1.50
IDISP 9.75
ICONF 0.40
ACONF 0.61
AMINO20x4 0.47
PCONF21 3.03
MCONF 1.61
SCONF 0.22
UPU23 1.87
BUT14DIOL 0.20
Table TPSSh
W4-11 4.41
G21EA 2.71
G21IP 3.91
DIPCS10 3.40
PA26 4.44
SIE4x4 18.07
ALKBDE10 4.88
YBDE18 6.94
AL2X6 3.46
HEAVYSB11 4.37
NBPRC 2.56
ALK8 1.32
RC21 2.69
G2RC 5.66
BH76RC 3.37
FH51 4.00
TAUT15 1.33
DC13 10.43
MB16-43 45.00
DARC 8.55
RSE43 1.66
BSR36 10.09
CDIE20 1.66
ISO34 2.30
ISOL24 7.19
C60ISO 4.40
PArel 1.32
BH76 6.68
BHPERI 1.48
BHDIV10 4.68
INV24 2.00
BHROT27 0.54
PX13 6.37
WCPT18 3.69
RG18 0.49
ADIM6 4.59
S22 3.30
S66 2.88
HEAVY28 0.90
WATER27 5.01
CARBHB12 0.56
PNICO23 0.92
HAL59 1.46
AHB21 0.62
CHB6 1.05
IL16 2.92
IDISP 12.21
ICONF 0.34
ACONF 0.72
AMINO20x4 0.52
PCONF21 3.78
MCONF 2.14
SCONF 0.27
UPU23 2.30
BUT14DIOL 0.33
Table revTPSSh
W4-11 5.18
G21EA 2.91
G21IP 3.94
DIPCS10 3.75
PA26 4.27
SIE4x4 17.68
ALKBDE10 6.07
YBDE18 6.02
AL2X6 2.41
HEAVYSB11 3.44
NBPRC 1.90
ALK8 1.42
RC21 3.40
G2RC 8.48
BH76RC 4.49
FH51 4.63
TAUT15 1.04
DC13 9.69
MB16-43 52.37
DARC 5.42
RSE43 1.45
BSR36 7.54
CDIE20 1.48
ISO34 2.85
ISOL24 6.23
C60ISO 5.29
PArel 1.33
BH76 6.46
BHPERI 1.69
BHDIV10 4.11
INV24 1.74
BHROT27 0.52
PX13 3.99
WCPT18 2.99
RG18 0.52
ADIM6 4.13
S22 2.93
S66 2.57
HEAVY28 0.76
WATER27 4.46
CARBHB12 0.47
PNICO23 0.74
HAL59 1.31
AHB21 0.60
CHB6 0.91
IL16 2.76
IDISP 8.73
ICONF 0.27
ACONF 0.59
AMINO20x4 0.43
PCONF21 2.94
MCONF 1.79
SCONF 0.36
UPU23 2.00
BUT14DIOL 0.36
Table TPSS0
W4-11 10.16
G21EA 3.67
G21IP 4.06
DIPCS10 3.94
PA26 4.58
SIE4x4 13.30
ALKBDE10 7.65
YBDE18 6.47
AL2X6 2.74
HEAVYSB11 5.12
NBPRC 2.36
ALK8 1.18
RC21 2.56
G2RC 4.91
BH76RC 3.46
FH51 2.75
TAUT15 0.98
DC13 9.67
MB16-43 41.10
DARC 4.61
RSE43 1.00
BSR36 9.87
CDIE20 1.39
ISO34 2.06
ISOL24 5.09
C60ISO 2.88
PArel 1.05
BH76 4.06
BHPERI 1.62
BHDIV10 2.66
INV24 1.94
BHROT27 0.61
PX13 3.58
WCPT18 1.54
RG18 0.51
ADIM6 4.41
S22 3.06
S66 2.71
HEAVY28 0.94
WATER27 5.29
CARBHB12 0.53
PNICO23 0.92
HAL59 1.46
AHB21 0.78
CHB6 1.12
IL16 2.85
IDISP 11.17
ICONF 0.34
ACONF 0.67
AMINO20x4 0.50
PCONF21 3.45
MCONF 2.00
SCONF 0.27
UPU23 2.22
BUT14DIOL 0.38
Table revTPSS0
W4-11 10.89
G21EA 3.75
G21IP 4.07
DIPCS10 4.24
PA26 4.43
SIE4x4 12.80
ALKBDE10 8.81
YBDE18 5.77
AL2X6 1.89
HEAVYSB11 3.98
NBPRC 1.60
ALK8 1.13
RC21 3.11
G2RC 6.89
BH76RC 4.29
FH51 3.22
TAUT15 0.79
DC13 10.14
MB16-43 47.97
DARC 2.98
RSE43 0.87
BSR36 7.55
CDIE20 1.22
ISO34 2.60
ISOL24 4.34
C60ISO 2.59
PArel 1.13
BH76 3.96
BHPERI 1.01
BHDIV10 2.15
INV24 1.78
BHROT27 0.60
PX13 1.65
WCPT18 1.10
RG18 0.54
ADIM6 4.02
S22 2.72
S66 2.42
HEAVY28 0.79
WATER27 4.62
CARBHB12 0.45
PNICO23 0.73
HAL59 1.29
AHB21 0.60
CHB6 1.01
IL16 2.71
IDISP 8.37
ICONF 0.26
ACONF 0.61
AMINO20x4 0.43
PCONF21 2.74
MCONF 1.69
SCONF 0.16
UPU23 1.95
BUT14DIOL 0.40
Table TPSS1KCIS
W4-11 3.24
G21EA 2.33
G21IP 3.59
DIPCS10 5.02
PA26 3.83
SIE4x4 17.15
ALKBDE10 4.74
YBDE18 6.21
AL2X6 4.75
HEAVYSB11 5.04
NBPRC 3.00
ALK8 2.26
RC21 2.15
G2RC 4.31
BH76RC 2.47
FH51 3.76
TAUT15 1.23
DC13 11.35
MB16-43 41.07
DARC 10.10
RSE43 1.83
BSR36 10.57
CDIE20 1.65
ISO34 2.13
ISOL24 7.83
C60ISO 3.61
PArel 1.12
BH76 5.40
BHPERI 1.92
BHDIV10 3.98
INV24 1.99
BHROT27 0.51
PX13 5.14
WCPT18 2.90
RG18 0.37
ADIM6 4.40
S22 3.28
S66 2.79
HEAVY28 0.83
WATER27 5.06
CARBHB12 0.55
PNICO23 0.98
HAL59 1.41
AHB21 0.60
CHB6 1.03
IL16 3.14
IDISP 13.67
ICONF 0.45
ACONF 0.81
AMINO20x4 0.56
PCONF21 3.80
MCONF 2.21
SCONF 0.36
UPU23 2.27
BUT14DIOL 0.40
Table BMK
W4-11 3.04
G21EA 1.92
G21IP 3.41
DIPCS10 5.20
PA26 2.01
SIE4x4 10.11
ALKBDE10 4.43
YBDE18 5.12
AL2X6 3.20
HEAVYSB11 3.66
NBPRC 1.59
ALK8 3.13
RC21 2.21
G2RC 3.58
BH76RC 1.63
FH51 1.65
TAUT15 1.09
DC13 8.85
MB16-43 11.40
DARC 1.95
RSE43 1.13
BSR36 5.93
CDIE20 0.58
ISO34 1.22
ISOL24 3.81
C60ISO 4.21
PArel 0.72
BH76 1.22
BHPERI 3.67
BHDIV10 1.19
INV24 1.81
BHROT27 0.58
PX13 1.00
WCPT18 0.92
RG18 2.04
ADIM6 3.86
S22 2.60
S66 2.39
HEAVY28 1.26
WATER27 5.93
CARBHB12 0.79
PNICO23 1.54
HAL59 1.58
AHB21 0.78
CHB6 1.50
IL16 3.53
IDISP 6.72
ICONF 0.36
ACONF 0.26
AMINO20x4 0.32
PCONF21 1.29
MCONF 0.95
SCONF 0.19
UPU23 1.77
BUT14DIOL 0.12
Table HCTHhyb
W4-11 3.43
G21EA 2.11
G21IP 3.45
DIPCS10 3.74
PA26 3.75
SIE4x4 18.28
ALKBDE10 4.05
YBDE18 5.00
AL2X6 5.51
HEAVYSB11 3.05
NBPRC 2.96
ALK8 2.95
RC21 3.04
G2RC 3.83
BH76RC 1.99
FH51 2.79
TAUT15 1.30
DC13 9.33
MB16-43 33.45
DARC 7.97
RSE43 2.60
BSR36 9.39
CDIE20 1.28
ISO34 1.52
ISOL24 6.43
C60ISO 3.62
PArel 1.20
BH76 5.11
BHPERI 1.67
BHDIV10 4.56
INV24 1.97
BHROT27 0.43
PX13 6.76
WCPT18 3.85
RG18 0.48
ADIM6 4.10
S22 2.85
S66 2.48
HEAVY28 0.71
WATER27 3.50
CARBHB12 0.60
PNICO23 0.77
HAL59 1.23
AHB21 0.76
CHB6 0.75
IL16 2.25
IDISP 12.13
ICONF 0.43
ACONF 0.74
AMINO20x4 0.52
PCONF21 3.41
MCONF 1.95
SCONF 0.32
UPU23 2.11
BUT14DIOL 0.27
Table M05
W4-11 2.99
G21EA 2.93
G21IP 3.26
DIPCS10 5.55
PA26 2.79
SIE4x4 14.71
ALKBDE10 3.93
YBDE18 4.96
AL2X6 7.79
HEAVYSB11 3.88
NBPRC 4.59
ALK8 2.68
RC21 2.55
G2RC 3.99
BH76RC 2.20
FH51 3.13
TAUT15 1.46
DC13 10.20
MB16-43 20.87
DARC 5.72
RSE43 1.99
BSR36 9.75
CDIE20 1.49
ISO34 2.27
ISOL24 7.29
C60ISO 2.29
PArel 1.37
BH76 1.89
BHPERI 4.88
BHDIV10 3.15
INV24 2.34
BHROT27 0.52
PX13 1.53
WCPT18 2.26
RG18 0.20
ADIM6 1.87
S22 2.06
S66 1.47
HEAVY28 0.42
WATER27 1.89
CARBHB12 0.49
PNICO23 0.86
HAL59 0.80
AHB21 0.54
CHB6 1.32
IL16 2.78
IDISP 11.97
ICONF 0.68
ACONF 0.71
AMINO20x4 0.56
PCONF21 2.23
MCONF 1.55
SCONF 1.32
UPU23 1.38
BUT14DIOL 0.35
Table M052X
W4-11 4.05
G21EA 1.80
G21IP 3.32
DIPCS10 4.14
PA26 1.13
SIE4x4 8.66
ALKBDE10 4.51
YBDE18 0.99
AL2X6 0.72
HEAVYSB11 3.48
NBPRC 1.63
ALK8 2.17
RC21 2.61
G2RC 4.00
BH76RC 1.37
FH51 1.70
TAUT15 1.18
DC13 8.49
MB16-43 24.96
DARC 1.30
RSE43 0.83
BSR36 2.04
CDIE20 0.34
ISO34 1.06
ISOL24 2.73
C60ISO 9.71
PArel 1.02
BH76 1.64
BHPERI 1.33
BHDIV10 1.53
INV24 1.60
BHROT27 0.47
PX13 7.47
WCPT18 2.46
RG18 0.14
ADIM6 0.92
S22 0.79
S66 0.57
HEAVY28 0.35
WATER27 3.54
CARBHB12 0.26
PNICO23 0.35
HAL59 0.62
AHB21 1.11
CHB6 1.96
IL16 1.45
IDISP 2.01
ICONF 0.27
ACONF 0.12
AMINO20x4 0.29
PCONF21 0.49
MCONF 0.17
SCONF 0.22
UPU23 0.90
BUT14DIOL 0.23
Table M06
W4-11 3.15
G21EA 2.18
G21IP 3.09
DIPCS10 6.50
PA26 2.85
SIE4x4 14.24
ALKBDE10 3.44
YBDE18 4.83
AL2X6 3.07
HEAVYSB11 1.83
NBPRC 3.11
ALK8 3.46
RC21 1.64
G2RC 3.81
BH76RC 1.65
FH51 1.84
TAUT15 0.80
DC13 6.65
MB16-43 34.42
DARC 4.65
RSE43 1.58
BSR36 2.52
CDIE20 1.04
ISO34 1.40
ISOL24 4.01
C60ISO 2.11
PArel 1.08
BH76 2.56
BHPERI 2.24
BHDIV10 1.94
INV24 1.62
BHROT27 0.69
PX13 1.47
WCPT18 1.95
RG18 0.36
ADIM6 0.23
S22 1.03
S66 0.68
HEAVY28 0.35
WATER27 2.59
CARBHB12 0.31
PNICO23 0.23
HAL59 0.57
AHB21 0.32
CHB6 1.26
IL16 0.73
IDISP 3.76
ICONF 0.35
ACONF 0.35
AMINO20x4 0.36
PCONF21 0.41
MCONF 0.33
SCONF 0.31
UPU23 0.53
BUT14DIOL 0.18
Table M062X
W4-11 3.16
G21EA 1.76
G21IP 2.64
DIPCS10 3.16
PA26 1.24
SIE4x4 8.65
ALKBDE10 4.79
YBDE18 2.48
AL2X6 0.88
HEAVYSB11 8.30
NBPRC 0.96
ALK8 2.27
RC21 1.60
G2RC 1.92
BH76RC 1.18
FH51 1.18
TAUT15 0.77
DC13 7.54
MB16-43 15.18
DARC 2.33
RSE43 0.63
BSR36 2.96
CDIE20 0.54
ISO34 1.23
ISOL24 2.92
C60ISO 6.75
PArel 0.97
BH76 2.33
BHPERI 1.36
BHDIV10 1.05
INV24 1.29
BHROT27 0.36
PX13 5.35
WCPT18 1.86
RG18 0.23
ADIM6 0.44
S22 0.39
S66 0.26
HEAVY28 0.35
WATER27 2.83
CARBHB12 0.23
PNICO23 0.28
HAL59 0.40
AHB21 0.94
CHB6 1.42
IL16 0.62
IDISP 1.92
ICONF 0.32
ACONF 0.25
AMINO20x4 0.30
PCONF21 0.88
MCONF 0.34
SCONF 0.25
UPU23 0.61
BUT14DIOL 0.13
Table M08HX
W4-11 3.12
G21EA 1.82
G21IP 3.37
DIPCS10 3.37
PA26 0.99
SIE4x4 8.62
ALKBDE10 3.86
YBDE18 2.18
AL2X6 2.21
HEAVYSB11 3.09
NBPRC 1.96
ALK8 2.22
RC21 1.50
G2RC 3.29
BH76RC 1.19
FH51 1.24
TAUT15 0.65
DC13 7.41
MB16-43 16.19
DARC 1.56
RSE43 0.56
BSR36 2.78
CDIE20 0.64
ISO34 0.94
ISOL24 2.33
C60ISO 7.46
PArel 0.92
BH76 0.99
BHPERI 1.61
BHDIV10 1.04
INV24 1.92
BHROT27 0.42
PX13 2.60
WCPT18 1.55
RG18 0.43
ADIM6 0.59
S22 0.43
S66 0.27
HEAVY28 0.31
WATER27 1.29
CARBHB12 0.45
PNICO23 0.53
HAL59 0.52
AHB21 0.53
CHB6 2.51
IL16 1.24
IDISP 2.98
ICONF 0.51
ACONF 0.37
AMINO20x4 0.39
PCONF21 0.86
MCONF 0.54
SCONF 0.32
UPU23 0.80
BUT14DIOL 0.20
Table M11
W4-11 3.44
G21EA 1.56
G21IP 3.60
DIPCS10 3.27
PA26 1.22
SIE4x4 9.56
ALKBDE10 4.32
YBDE18 1.76
AL2X6 1.31
HEAVYSB11 1.98
NBPRC 3.03
ALK8 3.41
RC21 2.07
G2RC 2.89
BH76RC 1.44
FH51 1.50
TAUT15 1.09
DC13 9.65
MB16-43 21.28
DARC 3.22
RSE43 1.42
BSR36 1.87
CDIE20 0.78
ISO34 1.31
ISOL24 3.36
C60ISO 14.60
PArel 0.78
BH76 1.26
BHPERI 2.16
BHDIV10 1.45
INV24 2.55
BHROT27 0.66
PX13 3.46
WCPT18 1.69
RG18 0.43
ADIM6 0.32
S22 0.65
S66 0.46
HEAVY28 0.61
WATER27 1.85
CARBHB12 0.36
PNICO23 0.58
HAL59 1.01
AHB21 0.48
CHB6 2.45
IL16 1.93
IDISP 3.34
ICONF 0.49
ACONF 0.66
AMINO20x4 0.49
PCONF21 0.98
MCONF 0.84
SCONF 0.78
UPU23 0.84
BUT14DIOL 0.25
Table SOGGA11X
W4-11 4.79
G21EA 1.92
G21IP 3.13
DIPCS10 4.93
PA26 3.45
SIE4x4 10.28
ALKBDE10 8.20
YBDE18 3.55
AL2X6 5.02
HEAVYSB11 3.62
NBPRC 2.57
ALK8 1.88
RC21 2.94
G2RC 4.41
BH76RC 2.14
FH51 1.97
TAUT15 0.46
DC13 7.70
MB16-43 36.82
DARC 2.91
RSE43 1.46
BSR36 8.88
CDIE20 1.03
ISO34 1.45
ISOL24 3.53
C60ISO 6.48
PArel 1.00
BH76 1.42
BHPERI 3.75
BHDIV10 1.31
INV24 1.45
BHROT27 0.39
PX13 1.02
WCPT18 1.34
RG18 1.32
ADIM6 4.16
S22 2.58
S66 2.34
HEAVY28 1.00
WATER27 4.64
CARBHB12 0.52
PNICO23 1.16
HAL59 1.46
AHB21 0.70
CHB6 1.15
IL16 2.63
IDISP 9.62
ICONF 0.41
ACONF 0.45
AMINO20x4 0.39
PCONF21 1.96
MCONF 1.47
SCONF 0.31
UPU23 2.07
BUT14DIOL 0.16
Table N12SX
W4-11 3.89
G21EA 2.87
G21IP 3.59
DIPCS10 5.77
PA26 3.58
SIE4x4 14.43
ALKBDE10 3.68
YBDE18 2.39
AL2X6 2.46
HEAVYSB11 2.96
NBPRC 2.62
ALK8 3.85
RC21 4.90
G2RC 6.63
BH76RC 2.94
FH51 2.89
TAUT15 1.60
DC13 9.84
MB16-43 17.15
DARC 2.92
RSE43 2.14
BSR36 8.39
CDIE20 1.46
ISO34 1.82
ISOL24 4.15
C60ISO 2.38
PArel 1.34
BH76 3.51
BHPERI 1.39
BHDIV10 4.02
INV24 2.59
BHROT27 0.86
PX13 5.78
WCPT18 3.19
RG18 0.79
ADIM6 3.58
S22 2.36
S66 2.03
HEAVY28 0.86
WATER27 3.15
CARBHB12 0.78
PNICO23 0.87
HAL59 1.17
AHB21 1.33
CHB6 1.36
IL16 1.74
IDISP 9.90
ICONF 0.54
ACONF 0.54
AMINO20x4 0.49
PCONF21 2.86
MCONF 1.58
SCONF 0.28
UPU23 1.88
BUT14DIOL 0.19
Table MN12SX
W4-11 4.56
G21EA 2.39
G21IP 3.66
DIPCS10 8.15
PA26 1.61
SIE4x4 8.96
ALKBDE10 3.86
YBDE18 3.90
AL2X6 3.15
HEAVYSB11 1.92
NBPRC 2.74
ALK8 7.10
RC21 1.44
G2RC 2.72
BH76RC 1.55
FH51 2.07
TAUT15 1.58
DC13 8.77
MB16-43 12.89
DARC 4.81
RSE43 1.62
BSR36 4.25
CDIE20 1.33
ISO34 1.19
ISOL24 4.11
C60ISO 2.26
PArel 1.51
BH76 1.14
BHPERI 2.80
BHDIV10 1.69
INV24 1.44
BHROT27 0.59
PX13 2.43
WCPT18 1.17
RG18 0.81
ADIM6 1.22
S22 1.16
S66 0.96
HEAVY28 0.49
WATER27 7.24
CARBHB12 0.99
PNICO23 0.61
HAL59 1.09
AHB21 0.97
CHB6 0.54
IL16 2.02
IDISP 3.49
ICONF 0.24
ACONF 0.06
AMINO20x4 0.50
PCONF21 0.85
MCONF 0.38
SCONF 0.56
UPU23 0.76
BUT14DIOL 0.61
Table MN15
W4-11 2.72
G21EA 1.37
G21IP 2.75
DIPCS10 4.35
PA26 1.64
SIE4x4 11.30
ALKBDE10 2.88
YBDE18 3.38
AL2X6 1.45
HEAVYSB11 5.09
NBPRC 1.78
ALK8 3.72
RC21 1.74
G2RC 2.63
BH76RC 1.57
FH51 1.61
TAUT15 1.19
DC13 5.10
MB16-43 20.19
DARC 1.71
RSE43 1.35
BSR36 0.57
CDIE20 0.64
ISO34 1.50
ISOL24 2.64
C60ISO 1.95
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 1.27
S22 0.56
S66 0.43
HEAVY28 0.33
WATER27 1.22
CARBHB12 0.24
PNICO23 0.30
HAL59 0.54
AHB21 0.33
CHB6 0.32
IL16 1.03
IDISP 3.58
ICONF 0.51
ACONF 0.50
AMINO20x4 0.52
PCONF21 1.09
MCONF 0.57
SCONF 0.50
UPU23 0.54
BUT14DIOL 0.36
Table LC-whPBE
W4-11 4.43
G21EA 2.84
G21IP 4.59
DIPCS10 3.15
PA26 2.61
SIE4x4 9.35
ALKBDE10 5.50
YBDE18 2.87
AL2X6 2.29
HEAVYSB11 6.64
NBPRC 2.31
ALK8 0.67
RC21 3.46
G2RC 5.45
BH76RC 2.29
FH51 2.98
TAUT15 0.90
DC13 10.47
MB16-43 29.26
DARC 5.98
RSE43 0.66
BSR36 5.84
CDIE20 0.95
ISO34 2.03
ISOL24 4.71
C60ISO 17.27
PArel 1.00
BH76 1.61
BHPERI 4.75
BHDIV10 1.46
INV24 2.33
BHROT27 0.60
PX13 4.51
WCPT18 1.89
RG18 0.63
ADIM6 3.87
S22 2.79
S66 2.44
HEAVY28 0.97
WATER27 6.14
CARBHB12 0.45
PNICO23 1.15
HAL59 1.63
AHB21 0.79
CHB6 1.30
IL16 3.04
IDISP 6.97
ICONF 0.46
ACONF 0.57
AMINO20x4 0.47
PCONF21 2.72
MCONF 1.46
SCONF 0.40
UPU23 2.14
BUT14DIOL 0.40
Table B2PLYP
W4-11 2.31
G21EA 1.30
G21IP 2.28
DIPCS10 3.97
PA26 1.14
SIE4x4 9.89
ALKBDE10 3.19
YBDE18 3.71
AL2X6 5.57
HEAVYSB11 3.94
NBPRC 2.96
ALK8 3.28
RC21 1.75
G2RC 1.45
BH76RC 1.18
FH51 2.17
TAUT15 0.71
DC13 9.14
MB16-43 34.39
DARC 8.69
RSE43 0.67
BSR36 6.11
CDIE20 0.86
ISO34 1.38
ISOL24 5.63
C60ISO 7.02
PArel 0.75
BH76 2.28
BHPERI 1.61
BHDIV10 1.97
INV24 0.96
BHROT27 0.25
PX13 2.42
WCPT18 1.18
RG18 0.45
ADIM6 2.87
S22 1.94
S66 1.71
HEAVY28 0.75
WATER27 2.76
CARBHB12 0.37
PNICO23 0.98
HAL59 0.89
AHB21 0.39
CHB6 0.85
IL16 2.22
IDISP 7.84
ICONF 0.35
ACONF 0.37
AMINO20x4 0.35
PCONF21 1.94
MCONF 1.12
SCONF 0.32
UPU23 1.44
BUT14DIOL 0.21
Table B2GPPLYP
W4-11 3.30
G21EA 1.72
G21IP 2.01
DIPCS10 3.40
PA26 1.03
SIE4x4 6.56
ALKBDE10 3.13
YBDE18 2.18
AL2X6 4.22
HEAVYSB11 3.11
NBPRC 2.09
ALK8 2.24
RC21 1.70
G2RC 1.16
BH76RC 1.00
FH51 1.41
TAUT15 0.55
DC13 5.95
MB16-43 26.08
DARC 5.23
RSE43 0.42
BSR36 4.86
CDIE20 0.71
ISO34 0.92
ISOL24 3.90
C60ISO 6.14
PArel 0.56
BH76 1.23
BHPERI 0.87
BHDIV10 1.40
INV24 0.76
BHROT27 0.31
PX13 1.48
WCPT18 0.80
RG18 0.33
ADIM6 2.20
S22 1.31
S66 1.20
HEAVY28 0.57
WATER27 1.54
CARBHB12 0.32
PNICO23 0.70
HAL59 0.64
AHB21 0.39
CHB6 0.99
IL16 1.65
IDISP 5.25
ICONF 0.30
ACONF 0.24
AMINO20x4 0.26
PCONF21 1.36
MCONF 0.71
SCONF 0.25
UPU23 1.14
BUT14DIOL 0.15
Table MPW2PLYP
W4-11 2.95
G21EA 1.48
G21IP 2.33
DIPCS10 3.49
PA26 1.12
SIE4x4 9.09
ALKBDE10 3.27
YBDE18 3.06
AL2X6 4.54
HEAVYSB11 3.81
NBPRC 2.56
ALK8 2.50
RC21 1.25
G2RC 1.43
BH76RC 1.28
FH51 1.56
TAUT15 0.66
DC13 7.81
MB16-43 31.02
DARC 6.95
RSE43 0.56
BSR36 6.19
CDIE20 0.77
ISO34 1.22
ISOL24 5.00
C60ISO 4.66
PArel 0.69
BH76 2.12
BHPERI 1.35
BHDIV10 1.62
INV24 0.78
BHROT27 0.31
PX13 1.96
WCPT18 1.12
RG18 0.24
ADIM6 1.99
S22 1.34
S66 1.15
HEAVY28 0.43
WATER27 1.90
CARBHB12 0.40
PNICO23 0.52
HAL59 0.57
AHB21 0.44
CHB6 1.39
IL16 1.55
IDISP 7.08
ICONF 0.34
ACONF 0.30
AMINO20x4 0.31
PCONF21 1.60
MCONF 0.91
SCONF 0.29
UPU23 1.24
BUT14DIOL 0.14
Table PWPB95
W4-11 1.83
G21EA 1.71
G21IP 1.94
DIPCS10 4.09
PA26 1.79
SIE4x4 9.93
ALKBDE10 3.26
YBDE18 2.53
AL2X6 1.85
HEAVYSB11 1.78
NBPRC 1.45
ALK8 1.75
RC21 1.06
G2RC 2.02
BH76RC 1.14
FH51 1.47
TAUT15 0.63
DC13 4.81
MB16-43 13.09
DARC 3.59
RSE43 1.01
BSR36 4.63
CDIE20 0.76
ISO34 0.90
ISOL24 3.19
C60ISO 3.50
PArel 0.69
BH76 1.62
BHPERI 1.40
BHDIV10 1.33
INV24 0.99
BHROT27 0.32
PX13 1.19
WCPT18 0.93
RG18 0.29
ADIM6 1.69
S22 1.65
S66 1.36
HEAVY28 0.61
WATER27 5.79
CARBHB12 0.40
PNICO23 0.71
HAL59 0.85
AHB21 0.51
CHB6 1.07
IL16 2.17
IDISP 3.84
ICONF 0.14
ACONF 0.06
AMINO20x4 0.27
PCONF21 0.90
MCONF 0.63
SCONF 0.19
UPU23 1.21
BUT14DIOL 0.47
Table DSD-BLYP
W4-11 3.06
G21EA 1.76
G21IP 2.02
DIPCS10 4.00
PA26 0.95
SIE4x4 5.75
ALKBDE10 2.92
YBDE18 1.94
AL2X6 4.23
HEAVYSB11 2.64
NBPRC 2.07
ALK8 2.20
RC21 2.50
G2RC 1.04
BH76RC 0.87
FH51 1.51
TAUT15 0.46
DC13 5.70
MB16-43 25.94
DARC 5.19
RSE43 0.58
BSR36 4.33
CDIE20 0.64
ISO34 0.89
ISOL24 3.63
C60ISO 7.93
PArel 0.52
BH76 1.14
BHPERI 0.73
BHDIV10 1.35
INV24 0.72
BHROT27 0.22
PX13 1.34
WCPT18 0.65
RG18 0.32
ADIM6 2.08
S22 1.26
S66 1.16
HEAVY28 0.54
WATER27 2.38
CARBHB12 0.29
PNICO23 0.74
HAL59 0.62
AHB21 0.32
CHB6 0.82
IL16 1.71
IDISP 4.42
ICONF 0.27
ACONF 0.21
AMINO20x4 0.25
PCONF21 1.19
MCONF 0.61
SCONF 0.27
UPU23 1.06
BUT14DIOL 0.18
Table DSD-PBEP86
W4-11 3.30
G21EA 1.51
G21IP 2.10
DIPCS10 3.91
PA26 0.98
SIE4x4 4.92
ALKBDE10 3.19
YBDE18 1.23
AL2X6 2.52
HEAVYSB11 2.09
NBPRC 1.08
ALK8 1.57
RC21 1.86
G2RC 1.51
BH76RC 0.84
FH51 0.85
TAUT15 0.45
DC13 2.94
MB16-43 17.40
DARC 1.25
RSE43 0.86
BSR36 3.55
CDIE20 0.56
ISO34 0.53
ISOL24 1.88
C60ISO 7.86
PArel 0.50
BH76 1.20
BHPERI 1.08
BHDIV10 1.30
INV24 0.64
BHROT27 0.19
PX13 2.27
WCPT18 1.41
RG18 0.23
ADIM6 1.40
S22 0.80
S66 0.74
HEAVY28 0.25
WATER27 1.04
CARBHB12 0.30
PNICO23 0.28
HAL59 0.38
AHB21 0.28
CHB6 0.59
IL16 1.05
IDISP 2.21
ICONF 0.18
ACONF 0.12
AMINO20x4 0.18
PCONF21 0.85
MCONF 0.32
SCONF 0.14
UPU23 0.85
BUT14DIOL 0.14
Table DSD-PBEB95
W4-11 2.68
G21EA 2.89
G21IP 2.58
DIPCS10 6.03
PA26 1.35
SIE4x4 5.84
ALKBDE10 3.26
YBDE18 1.11
AL2X6 1.78
HEAVYSB11 1.22
NBPRC 1.04
ALK8 1.68
RC21 1.20
G2RC 1.49
BH76RC 1.09
FH51 0.98
TAUT15 0.41
DC13 3.86
MB16-43 12.48
DARC 1.46
RSE43 0.47
BSR36 3.70
CDIE20 0.61
ISO34 0.69
ISOL24 2.05
C60ISO 4.87
PArel 0.55
BH76 1.04
BHPERI 1.13
BHDIV10 0.56
INV24 0.74
BHROT27 0.24
PX13 0.56
WCPT18 0.55
RG18 0.22
ADIM6 1.21
S22 1.15
S66 0.95
HEAVY28 0.45
WATER27 4.64
CARBHB12 0.31
PNICO23 0.59
HAL59 0.63
AHB21 0.42
CHB6 0.97
IL16 1.81
IDISP 2.17
ICONF 0.14
ACONF 0.09
AMINO20x4 0.23
PCONF21 0.58
MCONF 0.34
SCONF 0.25
UPU23 0.91
BUT14DIOL 0.43
 
