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	hartrees
Energy at 0K	-553.023451
Energy at 298.15K	-553.023150
HF Energy	-553.023451
Nuclear repulsion energy	74.699836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2292	2212	41.31
2	Σ	749	722	8.82
3	Π	412	398	2.81
4	Π	412	398	2.81

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.979
C2	0.000	0.000	-0.655
N3	0.000	0.000	-1.816

	Cl1	C2	N3
Cl1		1.6343	2.7947
C2	1.6343		1.1604
N3	2.7947	1.1604

All results from a given calculation for ClCN (chlorocyanogen)

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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