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	hartrees
Energy at 0K	-551.834686
Energy at 298.15K	-551.834491
Nuclear repulsion energy	75.653859

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2568	2337	57.86
2	Σ	797	725	3.32
3	Π	458	417	6.15
3	Π	458	417	6.15

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.970
C2	0.000	0.000	-0.661
N3	0.000	0.000	-1.788

	Cl1	C2	N3
Cl1		1.6309	2.7578
C2	1.6309		1.1268
N3	2.7578	1.1268

Number	Element	Mulliken
1	Cl	0.050
2	C	-0.010
3	N	-0.040

All results from a given calculation for ClCN (chlorocyanogen)

using model chemistry: HF/cc-pV(T+d)Z

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>	56.244
(<r²>)^1/2	7.500