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	hartrees
Energy at 0K	-552.219632
Energy at 298.15K	-552.219258
HF Energy	-551.783471
Nuclear repulsion energy	73.696853

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2133	2027	10.07
2	Σ	751	714	9.72
3	Π	373	354	2.28
3	Π	373	354	2.28

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	0.991
C2	0.000	0.000	-0.656
N3	0.000	0.000	-1.844

	Cl1	C2	N3
Cl1		1.6463	2.8350
C2	1.6463		1.1886
N3	2.8350	1.1886

All results from a given calculation for ClCN (chlorocyanogen)

using model chemistry: MP2=FULL/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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