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	hartrees
Energy at 0K	-535.308467
Energy at 298.15K	-535.307857
HF Energy	-535.308467
Nuclear repulsion energy	74.445897

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3414	3363	119.92
2	Σ	2171	2138	57.35
3	Σ	776	764	12.85
4	Π	542	534	66.48
4	Π	542	534	66.48
5	Π	310	305	0.61
5	Π	310	305	0.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.818
C2	0.000	0.000	-0.603
Cl3	0.000	0.000	1.025
H4	0.000	0.000	-2.894

	C1	C2	Cl3	H4
C1		1.2149	2.8432	1.0756
C2	1.2149		1.6283	2.2905
Cl3	2.8432	1.6283		3.9189
H4	1.0756	2.2905	3.9189

Number	Element	Mulliken
1	C	-0.594
2	C	0.016
3	Cl	0.353
4	H	0.225

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: LSDA/6-31+G**

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>	62.424
(<r²>)^1/2	7.901