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	hartrees
Energy at 0K	-552.765527
Energy at 298.15K	-552.765195
HF Energy	-552.765527
Nuclear repulsion energy	74.728245

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2348	2242	54.30
2	Σ	767	732	9.56
3	Π	393	375	2.29
3	Π	393	375	2.29

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.979
C2	0.000	0.000	-0.654
N3	0.000	0.000	-1.816

	Cl1	C2	N3
Cl1		1.6327	2.7943
C2	1.6327		1.1616
N3	2.7943	1.1616

Number	Element	Mulliken
1	Cl	0.299
2	C	0.046
3	N	-0.345

All results from a given calculation for ClCN (chlorocyanogen)

using model chemistry: HSEh1PBE/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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<r²>	57.167
(<r²>)^1/2	7.561