Table 1.

Shows the electronic charges present on “-Cl” in all the molecules.

Sl. No.	Natural atomic charges on “-Cl” determined using NBO calculations
	Third-Cl	Second-Cl	First-Cl
TCT	0.088	0.088	0.088
1	0.048	0.047	–
2	0.066	0.060	–
3	0.067	0.063	–
4	0.023	–	–
5	0.024	–	–
6	0.036	–	–