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	hartrees
Energy at 0K	-2711.408892
Energy at 298.15K	-2711.414329
HF Energy	-2710.861754
Nuclear repulsion energy	163.923935

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3110	3020
2	A'	1467	1425
3	A'	1329	1291
4	A'	1048	1018
5	A'	651	632
6	A'	312	303
7	A"	3200	3107
8	A"	1229	1194
9	A"	936	909

Atom	x (Å)	y (Å)	z (Å)
C1	0.528	-1.114	0.000
F2	-0.597	-1.922	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		1.3849	1.9467	1.0979	1.0979
F2	1.3849		2.7476	2.0291	2.0291
Br3	1.9467	2.7476		2.5079	2.5079
H4	1.0979	2.0291	2.5079		1.8357
H5	1.0979	2.0291	2.5079	1.8357

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	109.971	F2	C1	H4	109.070
F2	C1	H5	109.070	Br3	C1	H4	107.628
Br3	C1	H5	107.628	H4	C1	H5	113.431

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

using model chemistry: CCSD(T)=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: CCSD(T)=FULL/aug-cc-pVDZ

States and conformations

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