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	hartrees
Energy at 0K	-536.266200
Energy at 298.15K	-536.265734
HF Energy	-535.773185
Nuclear repulsion energy	74.263621

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3506	3329	91.92
2	Σ	2118	2011	32.75
3	Σ	765	726	9.32
4	Π	606	575	46.70
4	Π	606	575	46.70
5	Π	335	318	1.95
5	Π	335	318	1.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.823
C2	0.000	0.000	-0.610
Cl3	0.000	0.000	1.028
H4	0.000	0.000	-2.884

	C1	C2	Cl3	H4
C1		1.2128	2.8516	1.0605
C2	1.2128		1.6388	2.2733
Cl3	2.8516	1.6388		3.9120
H4	1.0605	2.2733	3.9120

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: MP2/cc-pVTZ

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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