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	hartrees
Energy at 0K	-552.291202
Energy at 298.15K	-552.290886
HF Energy	-551.772574
Nuclear repulsion energy	74.495953

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2319	2197	21.34
2	Σ	751	711	6.61
3	Π	404	382	4.09
3	Π	404	382	4.09

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.981
C2	0.000	0.000	-0.659
N3	0.000	0.000	-1.818

	Cl1	C2	N3
Cl1		1.6406	2.7998
C2	1.6406		1.1593
N3	2.7998	1.1593

All results from a given calculation for ClCN (chlorocyanogen)

using model chemistry: QCISD/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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