B3LYP_NL       WTMAD-1        WTMAD-2        WTMAD-3        WTMAD-4        
AL2X6          1.5268         0.2941         0.5665         2.8907         
ALK8           1.7324         0.2550         0.4912         1.3040         
ALKBDE10       0.2205         0.2523         0.4860         1.3535         
BH76RC         1.1721         1.8934         1.8298         1.7305         
DC13           4.3953         1.1970         2.3059         1.9850         
DIPCS10        0.4236         0.0746         0.1437         4.0468         
FH51           1.2029         2.2787         1.2953         1.6646         
G21EA          1.2698         1.0875         1.2612         1.5807         
G21IP          0.2293         0.3690         0.2972         2.1638         
G2RC           1.6142         0.9068         1.0515         1.0468         
HEAVYSB11      1.3160         0.2874         0.5536         2.0802         
NBPRC          0.8791         0.4385         0.8446         1.1808         
PA26           0.0843         0.1335         0.1489         0.9665         
RC21           1.7119         1.1598         1.6012         1.4372         
SIE4x4         9.3047         5.0852         9.2143         2.5267         
TAUT15         5.9118         3.3488         6.4509         1.9853         
W4-11          0.1974         1.0372         0.2148         1.2230         
YBDE18         2.1180         0.8910         1.4351         3.1271         
BSR36          1.3880         3.5527         2.8610         1.6314         
C60ISO         0.1424         0.1502         0.2894         0.9811         
CDIE20         4.7294         2.6834         3.8898         1.5746         
DARC           2.4675         1.2254         2.3606         2.0573         
ISO34          0.7351         1.9759         1.6848         1.9111         
ISOL24         2.0666         2.6061         3.1482         2.3811         
MB16-43        1.2065         1.2758         0.8602         2.2983         
PArel          4.8837         2.4298         3.5222         1.5580         
RSE43          0.8688         5.6616         3.8172         2.6509         
BH76           3.0896         14.5326        5.5437         2.7370         
BHDIV10        1.9123         0.4859         0.9360         1.8380         
BHPERI         0.8122         1.1655         1.2996         1.0770         
BHROT27        2.2105         1.0964         1.1773         1.4079         
INV24          0.5089         0.4417         0.5336         1.2995         
PX13           3.0022         1.3475         2.5958         2.0512         
WCPT18         1.6656         0.9869         1.5895         1.7070         
ADIM6          0.8739         0.1797         0.3463         1.8621         
AHB21          0.3701         0.3981         0.5496         1.3373         
CARBHB12       4.2668         0.9764         1.8809         1.3588         
CHB6           0.5141         0.1326         0.2555         1.2323         
HAL59          3.2386         4.7949         2.3561         1.8058         
HEAVY28        1.3366         3.4762         3.5993         1.0834         
IL16           0.0159         0.0269         0.0488         1.0611         
PNICO23        1.9021         1.1801         1.4875         0.8656         
RG18           0.5655         2.0213         3.2556         0.9790         
S22            2.4675         0.8565         1.1287         1.9288         
S66            2.2105         3.0720         1.3494         2.3550         
WATER27        0.3773         1.4462         1.5529         3.1242         
ACONF          0.3084         0.2912         0.5610         1.0930         
Amino20x4      1.0795         4.0768         1.4774         1.4126         
BUT14DIOL      2.7246         7.1730         3.2493         4.7326         
ICONF          1.2852         0.7696         1.3124         1.4882         
IDISP          1.4959         0.7270         1.4005         2.1654         
MCONF          0.9767         1.1544         0.6562         1.1989         
PCONF21        1.8507         2.3684         3.8147         0.9279         
SCONF          2.9302         1.2473         2.1271         3.2405         
UPU23          2.2105         1.0238         1.2905         1.2927         