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	hartrees
Energy at 0K	-91.109702
Energy at 298.15K	-91.109105
HF Energy	-90.887307
Nuclear repulsion energy	40.963494

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3484	3355	53.73
2	Σ	2056	1980	17.46
3	Σ	660	636	3.98
4	Π	621	598	58.29
4	Π	621	598	58.29
5	Π	299	288	2.90
5	Π	299	288	2.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.894
C2	0.000	0.000	-0.653
Cl3	0.000	0.000	1.073
H4	0.000	0.000	-2.965

	C1	C2	Cl3	H4
C1		1.2414	2.9678	1.0709
C2	1.2414		1.7264	2.3123
Cl3	2.9678	1.7264		4.0387
H4	1.0709	2.3123	4.0387

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: MP2/LANL2DZ

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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