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	hartrees
Energy at 0K	-553.051331
Energy at 298.15K	-553.051023
Nuclear repulsion energy	74.625782

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2342	2251	44.22
2	Σ	763	733	8.25
3	Π	404	388	2.41
3	Π	404	388	2.41

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.980
C2	0.000	0.000	-0.656
N3	0.000	0.000	-1.818

	Cl1	C2	N3
Cl1		1.6357	2.7980
C2	1.6357		1.1624
N3	2.7980	1.1624

Number	Element	Mulliken
1	Cl	0.095
2	C	0.004
3	N	-0.100

All results from a given calculation for ClCN (chlorocyanogen)

using model chemistry: B1B95/cc-pVDZ

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>	56.916
(<r²>)^1/2	7.544