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	hartrees
Energy at 0K	-536.236256
Energy at 298.15K	-536.235623
HF Energy	-535.757699
Nuclear repulsion energy	74.207579

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3550	3315	87.06
2	Σ	2260	2110	34.82
3	Σ	755	705	9.70
4	Π	593	554	54.39
4	Π	593	554	54.39
5	Π	273	255	0.64
5	Π	273	255	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.819
C2	0.000	0.000	-0.622
Cl3	0.000	0.000	1.031
H4	0.000	0.000	-2.878

	C1	C2	Cl3	H4
C1		1.1968	2.8502	1.0589
C2	1.1968		1.6534	2.2557
Cl3	2.8502	1.6534		3.9091
H4	1.0589	2.2557	3.9091

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: MP3=FULL/TZVP

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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