kappa 0.20020000
Br	1	2.34280000	0.78160000
C	1	2.50140000	0.27230000
C	2	2.48850000	0.24660000
C	3	2.51540000	0.23820000
Cl	1	2.52590000	0.87310000
F	1	3.01860000	1.11320000
H	1	2.37510000	0.66210000
I	1	2.28840000	0.64130000
N	1	2.61000000	0.30600000
N	2	2.56570000	0.29110000
N	3	2.60770000	0.75790000
O	1	2.63700000	0.34440000
O	2	2.64810000	0.39920000
P	1	2.40710000	0.15080000
P	2	2.16540000	0.32590000
S	1	2.42020000	0.25020000
S	2	2.46420000	0.18340000