kappa 0.22120000
Br	1	2.34390000	0.76870000
C	1	2.52040000	0.31150000
C	2	2.49600000	0.28200000
C	3	2.50810000	0.21010000
Cl	1	2.49910000	1.00910000
F	1	3.11060000	1.67910000
H	1	2.37700000	0.71380000
I	1	2.27430000	0.74980000
N	1	2.61080000	0.34590000
N	2	2.58320000	0.38360000
N	3	2.55440000	0.93730000
O	1	2.63710000	0.40760000
O	2	2.63610000	0.46120000
P	1	2.42480000	0.16460000
P	2	2.14460000	0.40450000
S	1	2.41210000	0.31250000
S	2	2.46260000	0.20700000