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	hartrees
Energy at 0K	-30.246360
Energy at 298.15K	-30.245942
HF Energy	-29.813371
Nuclear repulsion energy	24.339593

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2085	1987	12.03
2	Σ	739	704	11.15
3	Π	357	340	1.62
3	Π	357	340	1.62

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	1.304
C2	0.000	0.000	-0.353
N3	0.000	0.000	-1.543

	Cl1	C2	N3
Cl1		1.6563	2.8470
C2	1.6563		1.1907
N3	2.8470	1.1907

All results from a given calculation for ClCN (chlorocyanogen)

using model chemistry: MP2/CEP-121G*

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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