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	hartrees
Energy at 0K	-29.995222
Energy at 298.15K	-29.994667
HF Energy	-29.726300
Nuclear repulsion energy	23.467564

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1934	1888	0.06
2	Σ	639	624	6.40
3	Π	312	305	0.94
3	Π	312	305	0.94

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	1.358
C2	0.000	0.000	-0.379
N3	0.000	0.000	-1.599

	Cl1	C2	N3
Cl1		1.7369	2.9571
C2	1.7369		1.2202
N3	2.9571	1.2202

All results from a given calculation for ClCN (chlorocyanogen)

using model chemistry: MP2/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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