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	hartrees
Energy at 0K	-553.079312
Energy at 298.15K	-553.079013
Nuclear repulsion energy	75.001836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2307	2231	44.78
2	Σ	749	725	7.26
3	Π	410	397	2.56
3	Π	410	397	2.56

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.976
C2	0.000	0.000	-0.655
N3	0.000	0.000	-1.808

	Cl1	C2	N3
Cl1		1.6307	2.7835
C2	1.6307		1.1528
N3	2.7835	1.1528

Number	Element	Mulliken
1	Cl	0.127
2	C	0.612
3	N	-0.739

All results from a given calculation for ClCN (chlorocyanogen)

using model chemistry: B3LYP/6-311+G(3df,2p)

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>	56.914
(<r²>)^1/2	7.544