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	hartrees
Energy at 0K	-535.709726
Energy at 298.15K	-535.709556
HF Energy	-535.709726
Nuclear repulsion energy	74.629193

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3655	3299	92.23
2	Σ	2411	2176	21.96
3	Σ	799	721	7.70
4	Π	795	717	47.67
4	Π	795	717	47.67
5	Π	394	356	4.23
5	Π	394	356	4.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.806
C2	0.000	0.000	-0.623
Cl3	0.000	0.000	1.026
H4	0.000	0.000	-2.862

	C1	C2	Cl3	H4
C1		1.1831	2.8322	1.0557
C2	1.1831		1.6492	2.2388
Cl3	2.8322	1.6492		3.8880
H4	1.0557	2.2388	3.8880

Number	Element	Mulliken
1	C	-0.264
2	C	-0.108
3	Cl	0.124
4	H	0.249

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: HF/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>	61.934
(<r²>)^1/2	7.870