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	hartrees
Energy at 0K	-536.329708
Energy at 298.15K	-536.329296
HF Energy	-535.773772
Nuclear repulsion energy	74.505435

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3524	3345	92.15
2	Σ	2136	2028	33.32
3	Σ	770	731	9.32
4	Π	615	584	46.17
4	Π	615	584	46.17
5	Π	353	336	2.45
5	Π	353	336	2.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.817
C2	0.000	0.000	-0.609
Cl3	0.000	0.000	1.025
H4	0.000	0.000	-2.872

	C1	C2	Cl3	H4
C1		1.2085	2.8425	1.0551
C2	1.2085		1.6340	2.2636
Cl3	2.8425	1.6340		3.8976
H4	1.0551	2.2636	3.8976

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: MP2=FULL/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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