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	hartrees
Energy at 0K	-536.901801
Energy at 298.15K	-536.901436
HF Energy	-536.901801
Nuclear repulsion energy	74.441644

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3506	3506	103.20
2	Σ	2258	2258	36.75
3	Σ	774	774	11.94
4	Π	689	689	44.89
4	Π	689	689	44.89
5	Π	341	341	4.94
5	Π	341	341	4.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.814
C2	0.000	0.000	-0.617
Cl3	0.000	0.000	1.027
H4	0.000	0.000	-2.877

	C1	C2	Cl3	H4
C1		1.1963	2.8409	1.0629
C2	1.1963		1.6446	2.2591
Cl3	2.8409	1.6446		3.9037
H4	1.0629	2.2591	3.9037

Number	Element	Mulliken
1	C	0.020
2	C	-0.148
3	Cl	-0.015
4	H	0.144

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: M06-2X/6-311G**

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>	62.362
(<r²>)^1/2	7.897