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	hartrees
Energy at 0K	-26.077186
Energy at 298.15K	-26.076977
HF Energy	-26.077186
Nuclear repulsion energy	24.523695

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3681	3318	96.16
2	Σ	2361	2128	19.46
3	Σ	742	669	3.00
4	Π	834	751	63.18
4	Π	834	751	63.18
5	Π	373	337	9.43
5	Π	373	337	9.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.869
C2	0.000	0.000	-0.647
Cl3	0.000	0.000	1.060
H4	0.000	0.000	-2.926

	C1	C2	Cl3	H4
C1		1.2222	2.9297	1.0567
C2	1.2222		1.7075	2.2789
Cl3	2.9297	1.7075		3.9864
H4	1.0567	2.2789	3.9864

Number	Element	Mulliken
1	C	-0.334
2	C	-0.240
3	Cl	0.192
4	H	0.383

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: HF/CEP-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>	46.053
(<r²>)^1/2	6.786