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	hartrees
Energy at 0K	-536.107942
Energy at 298.15K	-536.107124
HF Energy	-535.705854
Nuclear repulsion energy	73.862243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3502	3307	69.99
2	Σ	2223	2100	17.79
3	Σ	757	715	7.75
4	Π	551	520	46.40
4	Π	551	520	46.40
5	Π	232	219	0.14
5	Π	232	219	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.829
C2	0.000	0.000	-0.620
Cl3	0.000	0.000	1.035
H4	0.000	0.000	-2.898

	C1	C2	Cl3	H4
C1		1.2096	2.8638	1.0685
C2	1.2096		1.6542	2.2781
Cl3	2.8638	1.6542		3.9322
H4	1.0685	2.2781	3.9322

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: CCSD/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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