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	hartrees
Energy at 0K	-553.035941
Energy at 298.15K	-553.035635
Nuclear repulsion energy	74.998871

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2351	2249	47.48
2	Σ	764	731	8.96
3	Π	404	387	2.75
3	Π	404	387	2.75

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.976
C2	0.000	0.000	-0.655
N3	0.000	0.000	-1.808

	Cl1	C2	N3
Cl1		1.6306	2.7837
C2	1.6306		1.1531
N3	2.7837	1.1531

Number	Element	Mulliken
1	Cl	0.111
2	C	0.154
3	N	-0.265

All results from a given calculation for ClCN (chlorocyanogen)

using model chemistry: mPW1PW91/6-311G**

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>	56.794
(<r²>)^1/2	7.536