kappa 0.19760000
Br	1	2.47030000	0.53870000
C	1	2.42460000	0.27570000
C	2	2.44350000	0.25400000
C	3	2.31210000	0.42930000
Cl	1	2.60370000	0.68220000
F	1	3.54390000	1.71380000
H	1	2.42640000	0.50540000
I	1	2.35920000	0.74760000
N	1	2.59980000	0.29790000
N	2	2.56820000	0.24540000
N	3	3.16550000	0.81880000
O	1	2.65750000	0.32740000
O	2	2.66330000	0.31630000
P	1	1.92710000	0.37950000
P	2	1.84280000	0.34420000
S	1	2.39530000	0.27310000
S	2	2.43130000	0.17920000