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	hartrees
Energy at 0K	-536.135649
Energy at 298.15K	-536.135132
HF Energy	-535.732307
Nuclear repulsion energy	73.530355

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3517	3342	92.19
2	Σ	2123	2018	30.36
3	Σ	767	729	9.90
4	Π	600	571	39.72
4	Π	600	571	39.72
5	Π	317	301	1.17
5	Π	317	301	1.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.842
C2	0.000	0.000	-0.614
Cl3	0.000	0.000	1.038
H4	0.000	0.000	-2.916

	C1	C2	Cl3	H4
C1		1.2283	2.8804	1.0736
C2	1.2283		1.6522	2.3018
Cl3	2.8804	1.6522		3.9540
H4	1.0736	2.3018	3.9540

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: MP2=FULL/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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