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	hartrees
Energy at 0K	-2649.395717
Energy at 298.15K	-2649.397883
HF Energy	-2648.611435
Nuclear repulsion energy	123.605288

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3507	3507	78.69
2	Σ	2217	2217	13.63
3	Σ	617	617	0.82
4	Π	577	577	52.06
4	Π	577	577	52.06
5	Π	263	263	1.79
5	Π	263	263	1.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-2.317
C2	0.000	0.000	-1.113
Br3	0.000	0.000	0.685
H4	0.000	0.000	-3.381

	C1	C2	Br3	H4
C1		1.2036	3.0014	1.0642
C2	1.2036		1.7978	2.2678
Br3	3.0014	1.7978		4.0656
H4	1.0642	2.2678	4.0656

All results from a given calculation for HCCBr (bromoacetylene)

using model chemistry: MP3=FULL/6-311G*

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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