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	hartrees
Energy at 0K	-535.722815
Energy at 298.15K	-535.722670
HF Energy	-535.722815
Nuclear repulsion energy	74.920614

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3652	3307	95.36
2	Σ	2401	2174	22.06
3	Σ	798	722	7.79
4	Π	796	721	43.58
4	Π	796	721	43.58
5	Π	404	366	4.54
5	Π	404	366	4.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.799
C2	0.000	0.000	-0.620
Cl3	0.000	0.000	1.022
H4	0.000	0.000	-2.854

	C1	C2	Cl3	H4
C1		1.1790	2.8209	1.0544
C2	1.1790		1.6419	2.2334
Cl3	2.8209	1.6419		3.8753
H4	1.0544	2.2334	3.8753

Number	Element	Mulliken
1	C	-0.271
2	C	0.008
3	Cl	-0.001
4	H	0.264

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: HF/6-31G(2df,p)

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>	61.495
(<r²>)^1/2	7.842