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	hartrees
Energy at 0K	-535.356097
Energy at 298.15K	-535.355539
HF Energy	-535.356097
Nuclear repulsion energy	74.758244

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3415	3373	118.97
2	Σ	2174	2147	48.99
3	Σ	775	766	13.07
4	Π	575	568	49.30
4	Π	575	568	49.30
5	Π	310	306	3.55
5	Π	310	306	3.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.809
C2	0.000	0.000	-0.604
Cl3	0.000	0.000	1.021
H4	0.000	0.000	-2.880

	C1	C2	Cl3	H4
C1		1.2046	2.8301	1.0713
C2	1.2046		1.6255	2.2758
Cl3	2.8301	1.6255		3.9013
H4	1.0713	2.2758	3.9013

Number	Element	Mulliken
1	C	-0.024
2	C	-0.127
3	Cl	0.006
4	H	0.145

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: LSDA/6-311G**

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>	61.982
(<r²>)^1/2	7.873