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	hartrees
Energy at 0K	-553.031075
Energy at 298.15K	-553.030800
Nuclear repulsion energy	75.069901

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2346	2246	42.68
2	Σ	766	734	7.97
3	Π	422	404	3.59
3	Π	422	404	3.59

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.974
C2	0.000	0.000	-0.651
N3	0.000	0.000	-1.808

	Cl1	C2	N3
Cl1		1.6245	2.7817
C2	1.6245		1.1572
N3	2.7817	1.1572

Number	Element	Mulliken
1	Cl	0.054
2	C	0.223
3	N	-0.276

All results from a given calculation for ClCN (chlorocyanogen)

using model chemistry: B1B95/6-31G(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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<r²>	56.352
(<r²>)^1/2	7.507