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	hartrees
Energy at 0K	-536.281942
Energy at 298.15K	-536.281566
HF Energy	-535.774686
Nuclear repulsion energy	74.303502

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3507	3275	86.14
2	Σ	2219	2072	28.17
3	Σ	761	710	8.27
4	Π	657	614	45.52
4	Π	657	614	45.52
5	Π	351	327	3.35
5	Π	351	327	3.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.818
C2	0.000	0.000	-0.618
Cl3	0.000	0.000	1.029
H4	0.000	0.000	-2.879

	C1	C2	Cl3	H4
C1		1.2003	2.8472	1.0605
C2	1.2003		1.6469	2.2607
Cl3	2.8472	1.6469		3.9077
H4	1.0605	2.2607	3.9077

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: CCD/cc-pVTZ

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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