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	hartrees
Energy at 0K	-533.539321
Energy at 298.15K	-533.538874
HF Energy	-533.205561
Nuclear repulsion energy	73.530405

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3457	3307	59.76
2	Σ	2199	2104	10.19
3	Σ	718	687	4.70
4	Π	659	631	44.55
4	Π	659	631	44.55
5	Π	332	317	3.30
5	Π	332	317	3.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.837
C2	0.000	0.000	-0.626
Cl3	0.000	0.000	1.040
H4	0.000	0.000	-2.904

	C1	C2	Cl3	H4
C1		1.2113	2.8775	1.0667
C2	1.2113		1.6662	2.2781
Cl3	2.8775	1.6662		3.9443
H4	1.0667	2.2781	3.9443

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: CCD/3-21G*

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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