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	hartrees
Energy at 0K	-536.913260
Energy at 298.15K	-536.912677
HF Energy	-536.913260
Nuclear repulsion energy	74.058599

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3500	3361	86.00
2	Σ	2224	2135	32.05
3	Σ	752	722	10.15
4	Π	586	562	45.04
4	Π	586	562	45.04
5	Π	306	294	0.15
5	Π	306	294	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.824
C2	0.000	0.000	-0.619
Cl3	0.000	0.000	1.032
H4	0.000	0.000	-2.890

	C1	C2	Cl3	H4
C1		1.2054	2.8566	1.0659
C2	1.2054		1.6512	2.2714
Cl3	2.8566	1.6512		3.9225
H4	1.0659	2.2714	3.9225

Number	Element	Mulliken
1	C	-0.291
2	C	-0.006
3	Cl	0.100
4	H	0.198

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: B3LYP/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>	62.516
(<r²>)^1/2	7.907