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	hartrees
Energy at 0K	-29.820361
Energy at 298.15K	-29.820127
Nuclear repulsion energy	24.925516

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2545	2299	58.88
2	Σ	794	717	3.50
3	Π	441	398	5.31
3	Π	441	398	5.31

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	1.284
C2	0.000	0.000	-0.368
N3	0.000	0.000	-1.504

	Cl1	C2	N3
Cl1		1.6518	2.7883
C2	1.6518		1.1364
N3	2.7883	1.1364

Number	Element	Mulliken
1	Cl	0.039
2	C	0.022
3	N	-0.061

All results from a given calculation for ClCN (chlorocyanogen)

using model chemistry: HF/CEP-121G*

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>	37.906
(<r²>)^1/2	6.157