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	hartrees
Energy at 0K	-553.090905
Energy at 298.15K	-553.090621
Nuclear repulsion energy	75.216946

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2348	2247	45.72
2	Σ	765	732	7.82
3	Π	415	397	3.05
3	Π	415	397	3.05

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.973
C2	0.000	0.000	-0.653
N3	0.000	0.000	-1.803

	Cl1	C2	N3
Cl1		1.6254	2.7757
C2	1.6254		1.1503
N3	2.7757	1.1503

Number	Element	Mulliken
1	Cl	0.087
2	C	-0.053
3	N	-0.034

All results from a given calculation for ClCN (chlorocyanogen)

using model chemistry: B1B95/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>	56.395
(<r²>)^1/2	7.510