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	hartrees
Energy at 0K	-536.106646
Energy at 298.15K	-536.105732
HF Energy	-535.705050
Nuclear repulsion energy	74.040360

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3530	3326	82.71
2	Σ	2158	2033	22.86
3	Σ	767	723	9.48
4	Π	529	498	46.76
4	Π	529	498	46.76
5	Π	207	195	0.87
5	Π	207	195	0.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.828
C2	0.000	0.000	-0.612
Cl3	0.000	0.000	1.032
H4	0.000	0.000	-2.894

	C1	C2	Cl3	H4
C1		1.2161	2.8598	1.0656
C2	1.2161		1.6437	2.2817
Cl3	2.8598	1.6437		3.9254
H4	1.0656	2.2817	3.9254

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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