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	hartrees
Energy at 0K	-535.892984
Energy at 298.15K	-535.892412
HF Energy	-535.649102
Nuclear repulsion energy	71.317246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3455	3315	51.63
2	Σ	2169	2082	5.85
3	Σ	660	633	2.03
4	Π	649	623	43.78
4	Π	649	623	43.78
5	Π	294	282	3.30
5	Π	294	282	3.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.889
C2	0.000	0.000	-0.668
Cl3	0.000	0.000	1.077
H4	0.000	0.000	-2.961

	C1	C2	Cl3	H4
C1		1.2202	2.9654	1.0721
C2	1.2202		1.7452	2.2923
Cl3	2.9654	1.7452		4.0375
H4	1.0721	2.2923	4.0375

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: CCD/6-31G

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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