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	hartrees
Energy at 0K	-2649.428728
Energy at 298.15K	-2649.430694
HF Energy	-2648.609717
Nuclear repulsion energy	123.538011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3491	3306	79.76
2	Σ	2090	1979	14.22
3	Σ	617	584	1.39
4	Π	523	495	52.35
4	Π	523	495	52.35
5	Π	216	205	0.18
5	Π	216	205	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-2.324
C2	0.000	0.000	-1.106
Br3	0.000	0.000	0.685
H4	0.000	0.000	-3.389

	C1	C2	Br3	H4
C1		1.2176	3.0088	1.0650
C2	1.2176		1.7912	2.2826
Br3	3.0088	1.7912		4.0738
H4	1.0650	2.2826	4.0738

All results from a given calculation for HCCBr (bromoacetylene)

using model chemistry: MP2=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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