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	hartrees
Energy at 0K	-536.180031
Energy at 298.15K	-536.179176
HF Energy	-535.757076
Nuclear repulsion energy	73.938709

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3514	3354	78.62
2	Σ	2209	2108	28.29
3	Σ	742	708	8.69
4	Π	545	520	52.35
4	Π	545	520	52.35
5	Π	217	207	0.00
5	Π	217	207	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.826
C2	0.000	0.000	-0.624
Cl3	0.000	0.000	1.035
H4	0.000	0.000	-2.888

	C1	C2	Cl3	H4
C1		1.2028	2.8611	1.0617
C2	1.2028		1.6583	2.2645
Cl3	2.8611	1.6583		3.9228
H4	1.0617	2.2645	3.9228

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: CCSD/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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