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	hartrees
Energy at 0K	-535.884730
Energy at 298.15K	-535.884004
HF Energy	-535.648193
Nuclear repulsion energy	71.300175

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3495	3321	61.74
2	Σ	2101	1996	8.35
3	Σ	665	632	2.88
4	Π	601	571	48.38
4	Π	601	571	48.38
5	Π	254	241	1.26
5	Π	254	241	1.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.892
C2	0.000	0.000	-0.664
Cl3	0.000	0.000	1.076
H4	0.000	0.000	-2.960

	C1	C2	Cl3	H4
C1		1.2284	2.9682	1.0684
C2	1.2284		1.7398	2.2968
Cl3	2.9682	1.7398		4.0366
H4	1.0684	2.2968	4.0366

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: MP2=FULL/6-31G

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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