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	hartrees
Energy at 0K	-549.162520
Energy at 298.15K	-549.162404
Nuclear repulsion energy	75.287991

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2568	2318	22.11
2	Σ	791	714	0.85
3	Π	515	464	3.24
3	Π	515	464	3.24

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.973
C2	0.000	0.000	-0.660
N3	0.000	0.000	-1.798

	Cl1	C2	N3
Cl1		1.6333	2.7718
C2	1.6333		1.1385
N3	2.7718	1.1385

Number	Element	Mulliken	CHELPG
1	Cl	0.246	-0.007
2	C	0.192	0.430
3	N	-0.439	-0.423

All results from a given calculation for ClCN (chlorocyanogen)

using model chemistry: HF/3-21G*

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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<r²>	56.770
(<r²>)^1/2	7.535