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	hartrees
Energy at 0K	-2712.869915
Energy at 298.15K
HF Energy	-2712.591501
Nuclear repulsion energy	164.329415

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3136	3136	22.84
2	A'	1531	1531	0.31
3	A'	1376	1376	70.83
4	A'	1099	1099	195.46
5	A'	642	642	73.16
6	A'	313	313	0.53
7	A"	3222	3222	10.76
8	A"	1279	1279	3.83
9	A"	962	962	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.515	-1.124	0.000
F2	-0.585	-1.921	0.000
Br3	0.000	0.761	0.000
H4	1.089	-1.297	0.905
H5	1.089	-1.297	-0.905

	C1	F2	Br3	H4	H5
C1		1.3590	1.9543	1.0854	1.0854
F2	1.3590		2.7456	2.0031	2.0031
Br3	1.9543	2.7456		2.4982	2.4982
H4	1.0854	2.0031	2.4982		1.8095
H5	1.0854	2.0031	2.4982	1.8095

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.638	F2	C1	H4	109.561
F2	C1	H5	109.561	Br3	C1	H4	107.047
Br3	C1	H5	107.047	H4	C1	H5	112.938

All results from a given calculation for CH₂BrF (Methane, bromofluoro-)

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for CH2BrF (Methane, bromofluoro-)

using model chemistry: B2PLYP=FULLultrafine/6-311G*

States and conformations

All results from a given calculation for CH₂BrF (Methane, bromofluoro-)