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	hartrees
Energy at 0K	-536.849944
Energy at 298.15K	-536.849544
HF Energy	-536.849944
Nuclear repulsion energy	74.225684

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3504	3330	101.41
2	Σ	2277	2164	27.25
3	Σ	778	739	10.21
4	Π	661	628	45.14
4	Π	661	628	45.14
5	Π	342	325	1.25
5	Π	342	325	1.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.820
C2	0.000	0.000	-0.618
Cl3	0.000	0.000	1.030
H4	0.000	0.000	-2.885

	C1	C2	Cl3	H4
C1		1.2020	2.8497	1.0656
C2	1.2020		1.6477	2.2677
Cl3	2.8497	1.6477		3.9154
H4	1.0656	2.2677	3.9154

Number	Element	Mulliken
1	C	-0.264
2	C	-0.051
3	Cl	0.118
4	H	0.198

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: M06-2X/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>	62.309
(<r²>)^1/2	7.894