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	hartrees
Energy at 0K	-26.316960
Energy at 298.15K
HF Energy	-26.090314
Nuclear repulsion energy	24.118382

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3415	3333	54.80
2	Σ	2029	1981	15.78
3	Σ	666	650	3.06
4	Π	488	476	60.04
4	Π	488	476	60.04
5	Π	277i	271i	3.15
5	Π	277i	271i	3.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.901
C2	0.000	0.000	-0.662
Cl3	0.000	0.000	1.079
H4	0.000	0.000	-2.972

	C1	C2	Cl3	H4
C1		1.2397	2.9807	1.0710
C2	1.2397		1.7409	2.3107
Cl3	2.9807	1.7409		4.0516
H4	1.0710	2.3107	4.0516

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: MP2/CEP-121G

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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