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	hartrees
Energy at 0K	-536.135778
Energy at 298.15K	-536.135157
HF Energy	-535.712822
Nuclear repulsion energy	74.180548

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3567	3323	85.50
2	Σ	2264	2109	37.44
3	Σ	768	716	9.67
4	Π	596	556	60.28
4	Π	596	556	60.28
5	Π	278	259	0.55
5	Π	278	259	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.822
C2	0.000	0.000	-0.617
Cl3	0.000	0.000	1.031
H4	0.000	0.000	-2.883

	C1	C2	Cl3	H4
C1		1.2052	2.8529	1.0603
C2	1.2052		1.6477	2.2655
Cl3	2.8529	1.6477		3.9131
H4	1.0603	2.2655	3.9131

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: MP3=FULL/6-31+G**

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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