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	hartrees
Energy at 0K	-536.260616
Energy at 298.15K	-536.259689
HF Energy	-535.756373
Nuclear repulsion energy	73.789246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	3497	3343
2	Σ	2162	2067
3	Σ	734	702
4	Π	522	499
4	Π	522	499
5	Π	204	195
5	Π	204	195

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.831
C2	0.000	0.000	-0.623
Cl3	0.000	0.000	1.036
H4	0.000	0.000	-2.894

	C1	C2	Cl3	H4
C1		1.2086	2.8679	1.0622
C2	1.2086		1.6593	2.2708
Cl3	2.8679	1.6593		3.9301
H4	1.0622	2.2708	3.9301

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: CCSD(T)=FULL/TZVP

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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