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	hartrees
Energy at 0K	-535.647209
Energy at 298.15K	-535.647031
HF Energy	-535.647209
Nuclear repulsion energy	73.135307

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3685	3318	84.47
2	Σ	2362	2127	21.04
3	Σ	727	654	3.28
4	Π	848	763	65.70
4	Π	848	763	65.70
5	Π	389	350	9.71
5	Π	389	350	9.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.842
C2	0.000	0.000	-0.648
Cl3	0.000	0.000	1.049
H4	0.000	0.000	-2.895

	C1	C2	Cl3	H4
C1		1.1936	2.8911	1.0536
C2	1.1936		1.6975	2.2472
Cl3	2.8911	1.6975		3.9447
H4	1.0536	2.2472	3.9447

Number	Element	Mulliken
1	C	-0.182
2	C	-0.116
3	Cl	0.027
4	H	0.271

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: HF/SDD

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>	64.327
(<r²>)^1/2	8.020