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	hartrees
Energy at 0K	-536.104119
Energy at 298.15K	-536.103345
HF Energy	-535.706106
Nuclear repulsion energy	73.931760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3509	3321	71.63
2	Σ	2239	2119	18.30
3	Σ	760	719	8.00
4	Π	560	530	47.15
5	Π	560	530	47.15
6	Π	242	229	0.07
7	Π	242	229	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.827
C2	0.000	0.000	-0.620
Cl3	0.000	0.000	1.034
H4	0.000	0.000	-2.895

	C1	C2	Cl3	H4
C1		1.2073	2.8606	1.0682
C2	1.2073		1.6534	2.2755
Cl3	2.8606	1.6534		3.9288
H4	1.0682	2.2755	3.9288

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: CCD/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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