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	hartrees
Energy at 0K	-536.341371
Energy at 298.15K	-536.337031
HF Energy	-535.706367
Nuclear repulsion energy	74.513382

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3659	3659	88.20
2	Σ	2408	2408	23.33
3	Σ	796	796	8.20
4	Π	764	764	44.82
4	Π	764	764	44.82
5	Π	388	388	3.36
5	Π	388	388	3.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.805
C2	0.000	0.000	-0.624
Cl3	0.000	0.000	1.026
H4	0.000	0.000	-2.863

	C1	C2	Cl3	H4
C1		1.1805	2.8306	1.0582
C2	1.1805		1.6501	2.2387
Cl3	2.8306	1.6501		3.8888
H4	1.0582	2.2387	3.8888

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: CBS-Q

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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