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	hartrees
Energy at 0K	-553.028081
Energy at 298.15K	-553.027787
HF Energy	-553.028081
Nuclear repulsion energy	75.043544

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2356	2253	45.21
2	Σ	754	721	7.18
3	Π	411	393	3.40
3	Π	411	393	3.40

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.976
C2	0.000	0.000	-0.658
N3	0.000	0.000	-1.806

	Cl1	C2	N3
Cl1		1.6344	2.7822
C2	1.6344		1.1478
N3	2.7822	1.1478

Number	Element	Mulliken
1	Cl	0.094
2	C	-0.062
3	N	-0.032

All results from a given calculation for ClCN (chlorocyanogen)

using model chemistry: wB97X-D/cc-pVTZ

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>	56.646
(<r²>)^1/2	7.526