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	hartrees
Energy at 0K	-529.849488
Energy at 298.15K	-529.849289
HF Energy	-529.849488
Nuclear repulsion energy	73.346835

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3939	3216	201.48
2	Σ	2688	2195	0.55
3	Σ	825	674	4.81
4	Π	935	763	14.18
4	Π	935	763	14.18
5	Π	413	337	0.00
5	Π	413	337	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.829
C2	0.000	0.000	-0.659
Cl3	0.000	0.000	1.048
H4	0.000	0.000	-2.895

	C1	C2	Cl3	H4
C1		1.1702	2.8768	1.0665
C2	1.1702		1.7067	2.2366
Cl3	2.8768	1.7067		3.9433
H4	1.0665	2.2366	3.9433

Number	Element	Mulliken
1	C	-0.080
2	C	-0.017
3	Cl	-0.028
4	H	0.126

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: HF/STO-3G

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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<r²>	62.919
(<r²>)^1/2	7.932