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	hartrees
Energy at 0K	-536.878700
Energy at 298.15K	-536.877974
HF Energy	-536.878700
Nuclear repulsion energy	73.504324

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3412	3394	95.80
2	Σ	2125	2114	55.39
3	Σ	722	719	11.62
4	Π	536	533	62.03
4	Π	536	533	62.03
5	Π	275	274	0.21
5	Π	275	274	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.840
C2	0.000	0.000	-0.621
Cl3	0.000	0.000	1.040
H4	0.000	0.000	-2.912

	C1	C2	Cl3	H4
C1		1.2194	2.8796	1.0716
C2	1.2194		1.6602	2.2910
Cl3	2.8796	1.6602		3.9512
H4	1.0716	2.2910	3.9512

Number	Element	Mulliken
1	C	-0.682
2	C	0.193
3	Cl	0.315
4	H	0.174

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: BLYP/6-31+G**

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>	63.810
(<r²>)^1/2	7.988