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	hartrees
Energy at 0K	-552.206075
Energy at 298.15K	-552.205686
HF Energy	-551.758284
Nuclear repulsion energy	74.224125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2332	2215	17.77
2	Σ	753	715	6.42
3	Π	371	352	4.31
3	Π	371	352	4.31

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.985
C2	0.000	0.000	-0.661
N3	0.000	0.000	-1.825

	Cl1	C2	N3
Cl1		1.6453	2.8099
C2	1.6453		1.1647
N3	2.8099	1.1647

All results from a given calculation for ClCN (chlorocyanogen)

using model chemistry: CCSD=FULL/6-31G*

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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