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	hartrees
Energy at 0K	-536.154590
Energy at 298.15K	-536.153812
HF Energy	-535.747686
Nuclear repulsion energy	74.099085

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3516	3341	88.28
2	Σ	2123	2017	32.53
3	Σ	768	730	10.65
4	Π	570	542	46.08
4	Π	570	542	46.08
5	Π	229	217	0.18
5	Π	229	217	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.827
C2	0.000	0.000	-0.611
Cl3	0.000	0.000	1.031
H4	0.000	0.000	-2.891

	C1	C2	Cl3	H4
C1		1.2158	2.8579	1.0635
C2	1.2158		1.6421	2.2793
Cl3	2.8579	1.6421		3.9214
H4	1.0635	2.2793	3.9214

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: MP2/6-311G**

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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