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	hartrees
Energy at 0K	-2711.411588
Energy at 298.15K	-2711.417019
HF Energy	-2710.861489
Nuclear repulsion energy	163.812451

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3110	3033
2	A'	1463	1426
3	A'	1326	1293
4	A'	1025	1000
5	A'	652	636
6	A'	311	303
7	A"	3203	3123
8	A"	1223	1192
9	A"	935	911

Atom	x (Å)	y (Å)	z (Å)
C1	0.530	-1.112	0.000
F2	-0.598	-1.925	0.000
Br3	0.000	0.760	0.000
H4	1.102	-1.298	0.918
H5	1.102	-1.298	-0.918

	C1	F2	Br3	H4	H5
C1		1.3901	1.9452	1.0981	1.0981
F2	1.3901		2.7506	2.0317	2.0317
Br3	1.9452	2.7506		2.5083	2.5083
H4	1.0981	2.0317	2.5083		1.8366
H5	1.0981	2.0317	2.5083	1.8366

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.002	F2	C1	H4	108.915
F2	C1	H5	108.915	Br3	C1	H4	107.738
Br3	C1	H5	107.738	H4	C1	H5	113.498

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

using model chemistry: MP4=FULL/aug-cc-pVDZ

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: MP4=FULL/aug-cc-pVDZ

States and conformations

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