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	hartrees
Energy at 0K	-536.723515
Energy at 298.15K	-536.723091
HF Energy	-536.723515
Nuclear repulsion energy	74.619694

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3502	3363	100.70
2	Σ	2226	2138	45.16
3	Σ	775	744	12.64
4	Π	643	618	46.62
4	Π	643	618	46.62
5	Π	334	321	4.36
5	Π	334	321	4.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.811
C2	0.000	0.000	-0.612
Cl3	0.000	0.000	1.024
H4	0.000	0.000	-2.874

	C1	C2	Cl3	H4
C1		1.1992	2.8350	1.0630
C2	1.1992		1.6358	2.2621
Cl3	2.8350	1.6358		3.8980
H4	1.0630	2.2621	3.8980

Number	Element	Mulliken
1	C	0.021
2	C	-0.107
3	Cl	-0.042
4	H	0.128

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: HSEh1PBE/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>	62.081
(<r²>)^1/2	7.879