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	hartrees
Energy at 0K	-536.730397
Energy at 298.15K	-536.726044
HF Energy	-535.707600
Nuclear repulsion energy	74.631674

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3671	3459	83.85
2	Σ	2412	2273	21.95
3	Σ	799	753	7.64
4	Π	796	750	47.91
4	Π	796	750	47.91
5	Π	393	370	4.05
5	Π	393	370	4.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.828
C2	0.000	0.000	-0.612
Cl3	0.000	0.000	1.032
H4	0.000	0.000	-2.894

	C1	C2	Cl3	H4
C1		1.2161	2.8598	1.0656
C2	1.2161		1.6437	2.2817
Cl3	2.8598	1.6437		3.9254
H4	1.0656	2.2817	3.9254

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: G3

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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