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	hartrees
Energy at 0K	-536.141709
Energy at 298.15K	-536.141261
HF Energy	-535.733639
Nuclear repulsion energy	73.464727

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3497	3346	83.33
2	Σ	2209	2113	24.58
3	Σ	759	726	8.66
4	Π	640	612	39.01
4	Π	640	612	39.01
5	Π	328	314	1.94
5	Π	328	314	1.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.840
C2	0.000	0.000	-0.622
Cl3	0.000	0.000	1.040
H4	0.000	0.000	-2.916

	C1	C2	Cl3	H4
C1		1.2182	2.8802	1.0760
C2	1.2182		1.6620	2.2942
Cl3	2.8802	1.6620		3.9562
H4	1.0760	2.2942	3.9562

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: CCD/cc-pVDZ

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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