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	hartrees
Energy at 0K	-107.178109
Energy at 298.15K	-107.177598
HF Energy	-106.914697
Nuclear repulsion energy	39.987013

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1962	1890	0.25
2	Σ	632	608	6.09
3	Π	340	327	1.35
3	Π	340	327	1.35

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	1.545
C2	0.000	0.000	-0.176
N3	0.000	0.000	-1.394

	Cl1	C2	N3
Cl1		1.7205	2.9386
C2	1.7205		1.2182
N3	2.9386	1.2182

All results from a given calculation for ClCN (chlorocyanogen)

using model chemistry: MP2/LANL2DZ

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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