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	hartrees
Energy at 0K	-2711.338580
Energy at 298.15K	-2711.344046
HF Energy	-2710.846655
Nuclear repulsion energy	164.515636

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3134	3134	22.90
2	A'	1509	1509	0.99
3	A'	1358	1358	67.58
4	A'	1132	1132	178.64
5	A'	661	661	56.70
6	A'	318	318	0.60
7	A"	3217	3217	11.37
8	A"	1264	1264	4.24
9	A"	952	952	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.514	-1.119	0.000
F2	-0.588	-1.918	0.000
Br3	0.000	0.759	0.000
H4	1.103	-1.292	0.912
H5	1.103	-1.292	-0.912

	C1	F2	Br3	H4	H5
C1		1.3606	1.9469	1.0987	1.0987
F2	1.3606		2.7401	2.0196	2.0196
Br3	1.9469	2.7401		2.5004	2.5004
H4	1.0987	2.0196	2.5004		1.8231
H5	1.0987	2.0196	2.5004	1.8231

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.623	F2	C1	H4	109.956
F2	C1	H5	109.956	Br3	C1	H4	107.053
Br3	C1	H5	107.053	H4	C1	H5	112.129

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

using model chemistry: CCSD=FULL/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=FULL/cc-pVDZ

States and conformations

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