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	hartrees
Energy at 0K	-535.879272
Energy at 298.15K	-535.878495
HF Energy	-535.648142
Nuclear repulsion energy	71.288677

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3495	3344	61.71
2	Σ	2100	2009	8.34
3	Σ	664	636	2.88
4	Π	592	566	48.75
4	Π	592	566	48.75
5	Π	239	229	0.95
5	Π	239	229	0.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.892
C2	0.000	0.000	-0.664
Cl3	0.000	0.000	1.076
H4	0.000	0.000	-2.961

	C1	C2	Cl3	H4
C1		1.2286	2.9687	1.0685
C2	1.2286		1.7401	2.2972
Cl3	2.9687	1.7401		4.0372
H4	1.0685	2.2972	4.0372

All results from a given calculation for HCCCl (Chloroacetylene)

using model chemistry: MP2/6-31G

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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