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	hartrees
Energy at 0K	-552.202479
Energy at 298.15K	-552.202029
HF Energy	-551.758007
Nuclear repulsion energy	74.136988

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2149	2018	18.73
2	Σ	756	710	10.77
3	Π	339	318	1.92
3	Π	339	318	1.92

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.985
C2	0.000	0.000	-0.650
N3	0.000	0.000	-1.834

	Cl1	C2	N3
Cl1		1.6344	2.8185
C2	1.6344		1.1841
N3	2.8185	1.1841

All results from a given calculation for ClCN (chlorocyanogen)

using model chemistry: MP2=FULL/6-31+G**

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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