B1LYP_D3BJ     WTMAD-1        WTMAD-2        WTMAD-3        WTMAD-4        
AL2X6          0.4510         0.0851         0.1582         0.6916         
ALK8           2.9966         0.4323         0.8034         2.2375         
ALKBDE10       0.2325         0.2607         0.4844         1.6693         
BH76RC         1.1325         1.7931         1.6716         1.8538         
DC13           4.9660         1.3256         2.4632         2.5128         
DIPCS10        0.3142         0.0542         0.1007         2.4723         
FH51           1.2478         2.3166         1.2703         2.0210         
G21EA          1.3029         1.0937         1.2235         1.7735         
G21IP          0.2120         0.3344         0.2598         2.3497         
G2RC           1.3029         0.7173         0.8025         1.0626         
HEAVYSB11      1.3380         0.2864         0.5321         1.5139         
NBPRC          1.0874         0.5316         0.9879         1.9299         
PA26           0.1483         0.2303         0.2477         1.9765         
RC21           1.0924         0.7254         0.9661         1.1419         
SIE4x4         8.0528         4.3136         7.5397         2.2478         
TAUT15         4.8607         2.6987         5.0148         1.6779         
W4-11          0.3668         1.8889         0.3773         2.3596         
YBDE18         2.3953         0.9877         1.5346         3.1092         
BSR36          1.6136         4.0479         3.1446         2.6598         
C60ISO         0.1473         0.1524         0.2831         0.9139         
CDIE20         4.5601         2.5359         3.5460         1.7286         
DARC           3.9086         1.9025         3.5353         3.9735         
ISO34          0.9020         2.3762         1.9545         2.6110         
ISOL24         2.8162         3.4809         4.0562         3.2674         
MB16-43        0.7777         0.8060         0.5242         1.3356         
PArel          5.5623         2.7124         3.7929         1.8849         
RSE43          0.6715         4.2889         2.7894         1.7162         
BH76           2.1698         10.0033        3.6810         1.9441         
BHDIV10        1.1626         0.2895         0.5380         1.2019         
BHPERI         0.4710         0.6625         0.7126         0.6358         
BHROT27        2.0044         0.9744         1.0093         1.6463         
INV24          0.5212         0.4433         0.5166         1.3380         
PX13           1.2628         0.5555         1.0323         1.0009         
WCPT18         0.8018         0.4656         0.7234         0.8888         
ADIM6          0.3007         0.0606         0.1126         0.3005         
AHB21          0.1503         0.1585         0.2110         0.7037         
CARBHB12       3.7583         0.8429         1.5664         1.5715         
CHB6           1.3079         0.3307         0.6145         3.1400         
HAL59          4.9610         7.1988         3.4123         2.5901         
HEAVY28        5.1113         13.0294        13.0138        4.2861         
IL16           0.0446         0.0739         0.1291         2.5487         
PNICO23        4.2093         2.5596         3.1123         2.2291         
RG18           0.7517         2.6334         4.0916         1.1225         
S22            1.5534         0.5285         0.6718         1.4632         
S66            1.2027         1.6382         0.6941         1.3677         
WATER27        0.1057         0.3972         0.4114         1.0202         
ACONF          0.5011         0.4637         0.8616         1.2664         
Amino20x4      1.1024         4.0805         1.4265         1.4690         
BUT14DIOL      1.0523         2.7154         1.1866         1.5594         
ICONF          1.7038         0.9999         1.6450         2.1724         
IDISP          1.6136         0.7686         1.4282         2.3632         
MCONF          1.1525         1.3351         0.7321         1.0459         
PCONF21        1.8541         2.3257         3.6134         0.9563         
SCONF          1.4031         0.5854         0.9630         1.2733         
UPU23          3.3073         1.5013         1.8255         2.2035         