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	hartrees
Energy at 0K	-536.805841
Energy at 298.15K	-536.805554
HF Energy	-536.805841
Nuclear repulsion energy	72.677519

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3535	3535	94.26
2	Σ	2272	2272	15.07
3	Σ	710	710	4.84
4	Π	781	781	47.79
4	Π	781	781	47.79
5	Π	359	359	5.85
5	Π	359	359	5.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.854
C2	0.000	0.000	-0.650
Cl3	0.000	0.000	1.055
H4	0.000	0.000	-2.918

	C1	C2	Cl3	H4
C1		1.2040	2.9092	1.0638
C2	1.2040		1.7053	2.2678
Cl3	2.9092	1.7053		3.9731
H4	1.0638	2.2678	3.9731

Number	Element	Mulliken
1	C	-0.410
2	C	-0.196
3	Cl	0.341
4	H	0.264

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>	64.586
(<r²>)^1/2	8.037