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	hartrees
Energy at 0K	-536.675756
Energy at 298.15K	-536.675072
HF Energy	-536.541129
Nuclear repulsion energy	74.040851

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3524	3342	83.21
2	Σ	2193	2080	27.17
3	Σ	758	718	9.54
4	Π	565	535	45.70
4	Π	565	535	45.70
5	Π	275	261	0.00
5	Π	275	261	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.826
C2	0.000	0.000	-0.617
Cl3	0.000	0.000	1.032
H4	0.000	0.000	-2.890

	C1	C2	Cl3	H4
C1		1.2095	2.8584	1.0643
C2	1.2095		1.6489	2.2737
Cl3	2.8584	1.6489		3.9227
H4	1.0643	2.2737	3.9227

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: B2PLYP=FULL/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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