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	hartrees
Energy at 0K	-536.346725
Energy at 298.15K	-536.346408
HF Energy	-535.775223
Nuclear repulsion energy	74.649455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3550	3311	92.19
2	Σ	2260	2108	33.81
3	Σ	772	720	9.08
4	Π	668	623	46.05
4	Π	668	623	46.05
5	Π	372	347	4.09
5	Π	372	347	4.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.810
C2	0.000	0.000	-0.615
Cl3	0.000	0.000	1.024
H4	0.000	0.000	-2.863

	C1	C2	Cl3	H4
C1		1.1945	2.8343	1.0531
C2	1.1945		1.6399	2.2475
Cl3	2.8343	1.6399		3.8874
H4	1.0531	2.2475	3.8874

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: MP3=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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