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	hartrees
Energy at 0K	-536.175886
Energy at 298.15K	-536.175091
HF Energy	-535.757307
Nuclear repulsion energy	74.014191

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3523	3340	79.84
2	Σ	2225	2109	29.19
3	Σ	745	707	9.00
4	Π	560	530	52.93
4	Π	560	530	52.93
5	Π	230	218	0.05
5	Π	230	218	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.824
C2	0.000	0.000	-0.624
Cl3	0.000	0.000	1.034
H4	0.000	0.000	-2.886

	C1	C2	Cl3	H4
C1		1.2007	2.8579	1.0613
C2	1.2007		1.6572	2.2621
Cl3	2.8579	1.6572		3.9192
H4	1.0613	2.2621	3.9192

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: CCD/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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