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	hartrees
Energy at 0K	-2611.353892
Energy at 298.15K	-2611.356641
HF Energy	-2610.799500
Nuclear repulsion energy	71.718281

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3014	2885	35.53
2	A'	1177	1127	5.98
3	A'	734	703	72.15

Atom	x (Å)	y (Å)
C1	0.026	1.517
Br2	0.026	-0.310
H3	-1.052	1.739

	C1	Br2	H3
C1		1.8268	1.1002
Br2	1.8268		2.3151
H3	1.1002	2.3151

All results from a given calculation for CHBr (bromomethylene)

using model chemistry: MP2=FULL/cc-pVQZ

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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