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	hartrees
Energy at 0K	-536.877682
Energy at 298.15K	-536.877264
HF Energy	-536.877682
Nuclear repulsion energy	72.440136

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3521	3388	81.98
2	Σ	2208	2125	25.13
3	Σ	699	672	6.78
4	Π	696	669	50.74
4	Π	696	669	50.74
5	Π	333	320	4.35
5	Π	333	320	4.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.861
C2	0.000	0.000	-0.650
Cl3	0.000	0.000	1.059
H4	0.000	0.000	-2.925

	C1	C2	Cl3	H4
C1		1.2112	2.9200	1.0637
C2	1.2112		1.7088	2.2749
Cl3	2.9200	1.7088		3.9837
H4	1.0637	2.2749	3.9837

Number	Element	Mulliken
1	C	-0.411
2	C	-0.185
3	Cl	0.336
4	H	0.260

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: TPSSh/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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<r²>	64.840
(<r²>)^1/2	8.052