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	hartrees
Energy at 0K	-536.189195
Energy at 298.15K	-536.188656
HF Energy	-535.720177
Nuclear repulsion energy	74.305964

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3546	3349	99.57
2	Σ	2144	2025	20.53
3	Σ	769	726	8.63
4	Π	580	547	42.36
5	Π	580	547	42.36
6	Π	320	302	0.39
7	Π	320	302	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.824
C2	0.000	0.000	-0.610
Cl3	0.000	0.000	1.029
H4	0.000	0.000	-2.884

	C1	C2	Cl3	H4
C1		1.2134	2.8527	1.0601
C2	1.2134		1.6393	2.2735
Cl3	2.8527	1.6393		3.9128
H4	1.0601	2.2735	3.9128

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: MP2/6-31G(2df,p)

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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