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	hartrees
Energy at 0K	-552.735197
Energy at 298.15K	-552.734876
HF Energy	-552.735197
Nuclear repulsion energy	74.709041

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2361	2243	44.71
2	Σ	768	730	8.56
3	Π	401	382	4.08
3	Π	401	382	4.08

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.979
C2	0.000	0.000	-0.655
N3	0.000	0.000	-1.816

	Cl1	C2	N3
Cl1		1.6336	2.7950
C2	1.6336		1.1614
N3	2.7950	1.1614

Number	Element	Mulliken
1	Cl	0.204
2	C	0.194
3	N	-0.398

All results from a given calculation for ClCN (chlorocyanogen)

using model chemistry: PBE1PBE/6-31G*

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>	56.913
(<r²>)^1/2	7.544