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	hartrees
Energy at 0K	-26.279399
Energy at 298.15K	-26.278638
HF Energy	-26.070859
Nuclear repulsion energy	23.814584

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3462	3345	55.36
2	Σ	2036	1967	14.62
3	Σ	663	640	3.57
4	Π	626	605	70.99
4	Π	626	605	70.99
5	Π	232	224	1.77
5	Π	232	224	1.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.930
C2	0.000	0.000	-0.657
Cl3	0.000	0.000	1.090
H4	0.000	0.000	-3.005

	C1	C2	Cl3	H4
C1		1.2729	3.0197	1.0756
C2	1.2729		1.7468	2.3485
Cl3	3.0197	1.7468		4.0953
H4	1.0756	2.3485	4.0953

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: MP2/CEP-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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