Table 1: T 1 diagnosticsa.

Species T 1 Species T 1

C6H5OH0.011OH0.008
o-C6H4CH30.013TS-abs-o0.023
m-C6H4CH30.014TS-abs-m0.023
p-C6H4CH30.013TS-abs-p0.023
C6H5CH20.020TS-abs-CH30.022
o-C6H5OHCH30.016TS-add-o0.028
m-C6H5OHCH30.017TS-add-m0.028
p-C6H5OHCH30.016TS-add-p0.028
ipso-C6H5OHCH30.016TS-add-ipso0.029
H2O0.009

TS denotes transition structure.