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	hartrees
Energy at 0K	-536.848216
Energy at 298.15K	-536.847797
HF Energy	-536.848216
Nuclear repulsion energy	74.223782

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3510	3324	95.09
2	Σ	2278	2157	26.93
3	Σ	777	736	10.13
4	Π	655	620	45.30
4	Π	655	620	45.30
5	Π	339	321	1.07
5	Π	339	321	1.07

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	-2.886

	C1	C2	Cl3	H4
C1		1.2018	2.8496	1.0665
C2	1.2018		1.6478	2.2683
Cl3	2.8496	1.6478		3.9161
H4	1.0665	2.2683	3.9161

Number	Element	Mulliken
1	C	-0.318
2	C	-0.034
3	Cl	0.118
4	H	0.234

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>	62.312
(<r²>)^1/2	7.894