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	hartrees
Energy at 0K	-536.311822
Energy at 298.15K	-536.311336
HF Energy	-535.773608
Nuclear repulsion energy	74.046218

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	3478	3391
2	Σ	2152	2098
3	Σ	749	730
4	Π	608	593
4	Π	608	593
5	Π	327	319
5	Π	327	319

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	-2.889

	C1	C2	Cl3	H4
C1		1.2094	2.8585	1.0623
C2	1.2094		1.6491	2.2717
Cl3	2.8585	1.6491		3.9208
H4	1.0623	2.2717	3.9208

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: CCSD(T)/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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