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	hartrees
Energy at 0K	-550.340501
Energy at 298.15K	-550.340304
HF Energy	-550.340501
Nuclear repulsion energy	74.571612

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2353	2228	18.67
2	Σ	763	723	4.09
3	Π	470	445	2.00
4	Π	470	445	2.00

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.981
C2	0.000	0.000	-0.657
N3	0.000	0.000	-1.819

	Cl1	C2	N3
Cl1		1.6381	2.7999
C2	1.6381		1.1618
N3	2.7999	1.1618

Number	Element	Mulliken
1	Cl	0.246
2	C	0.149
3	N	-0.395

All results from a given calculation for ClCN (chlorocyanogen)

using model chemistry: M06-2X/3-21G*

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>	57.279
(<r²>)^1/2	7.568