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	hartrees
Energy at 0K	-536.375179
Energy at 298.15K	-536.374750
HF Energy	-535.774202
Nuclear repulsion energy	74.290300

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	3499	3352
2	Σ	2169	2078
3	Σ	754	722
4	Π	617	591
4	Π	616	591
5	Π	347	333
5	Π	347	333

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.821
C2	0.000	0.000	-0.615
Cl3	0.000	0.000	1.029
H4	0.000	0.000	-2.877

	C1	C2	Cl3	H4
C1		1.2052	2.8494	1.0563
C2	1.2052		1.6442	2.2615
Cl3	2.8494	1.6442		3.9057
H4	1.0563	2.2615	3.9057

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: CCSD(T)=FULL/cc-pVTZ

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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