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	hartrees
Energy at 0K	-2649.549521
Energy at 298.15K	-2649.551964
HF Energy	-2648.630376
Nuclear repulsion energy	124.290882

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3523	3523	90.89
2	Σ	2222	2222	20.69
3	Σ	624	624	0.75
4	Π	686	686	41.81
4	Π	686	686	41.81
5	Π	322	322	7.69
5	Π	322	322	7.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-2.304
C2	0.000	0.000	-1.107
Br3	0.000	0.000	0.681
H4	0.000	0.000	-3.364

	C1	C2	Br3	H4
C1		1.1968	2.9846	1.0599
C2	1.1968		1.7878	2.2567
Br3	2.9846	1.7878		4.0445
H4	1.0599	2.2567	4.0445

All results from a given calculation for HCCBr (bromoacetylene)

using model chemistry: MP3=FULL/6-311+G(3df,2p)

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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