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	hartrees
Energy at 0K	-26.503958
Energy at 298.15K	-26.503437
HF Energy	-26.130788
Nuclear repulsion energy	24.514137

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3494	3317	85.26
2	Σ	2097	1991	32.99
3	Σ	758	720	11.44
4	Π	615	584	71.65
4	Π	615	584	71.65
5	Π	317	301	0.64
5	Π	317	301	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.871
C2	0.000	0.000	-0.614
Cl3	0.000	0.000	1.050
H4	0.000	0.000	-2.945

	C1	C2	Cl3	H4
C1		1.2570	2.9217	1.0738
C2	1.2570		1.6647	2.3308
Cl3	2.9217	1.6647		3.9955
H4	1.0738	2.3308	3.9955

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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