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	hartrees
Energy at 0K	-536.114390
Energy at 298.15K	-536.113587
HF Energy	-535.707217
Nuclear repulsion energy	74.058666

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3556	3323	83.78
2	Σ	2158	2017	24.62
3	Σ	768	717	9.41
4	Π	550	514	43.70
4	Π	550	514	43.70
5	Π	233	218	0.24
5	Π	233	218	0.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.829
C2	0.000	0.000	-0.612
Cl3	0.000	0.000	1.031
H4	0.000	0.000	-2.889

	C1	C2	Cl3	H4
C1		1.2165	2.8599	1.0607
C2	1.2165		1.6435	2.2771
Cl3	2.8599	1.6435		3.9206
H4	1.0607	2.2771	3.9206

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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