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	hartrees
Energy at 0K	-536.120198
Energy at 298.15K	-536.119673
HF Energy	-535.746643
Nuclear repulsion energy	74.391819

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3545	3280	79.86
2	Σ	2268	2099	28.03
3	Σ	778	720	9.86
4	Π	619	573	51.64
4	Π	619	573	51.64
5	Π	305	282	1.24
5	Π	305	282	1.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.815
C2	0.000	0.000	-0.618
Cl3	0.000	0.000	1.028
H4	0.000	0.000	-2.877

	C1	C2	Cl3	H4
C1		1.1975	2.8432	1.0614
C2	1.1975		1.6457	2.2589
Cl3	2.8432	1.6457		3.9046
H4	1.0614	2.2589	3.9046

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: CISD/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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