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	hartrees
Energy at 0K	-2649.162164
Energy at 298.15K	-2649.157853
HF Energy	-2646.116794
Nuclear repulsion energy	124.555348

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3668	3456	83.36
2	Σ	2391	2253	11.36
3	Σ	638	601	0.56
4	Π	893	841	44.02
4	Π	893	841	44.02
5	Π	420	396	10.47
5	Π	420	396	10.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-2.322
C2	0.000	0.000	-1.105
Br3	0.000	0.000	0.684
H4	0.000	0.000	-3.388

	C1	C2	Br3	H4
C1		1.2174	3.0067	1.0658
C2	1.2174		1.7893	2.2832
Br3	3.0067	1.7893		4.0725
H4	1.0658	2.2832	4.0725

All results from a given calculation for HCCBr (bromoacetylene)

using model chemistry: G2

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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