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	hartrees
Energy at 0K	-2711.394947
Energy at 298.15K	-2711.400381
HF Energy	-2710.861554
Nuclear repulsion energy	163.693780

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3103	3034
2	A'	1464	1432
3	A'	1326	1297
4	A'	1041	1018
5	A'	649	635
6	A'	312	305
7	A"	3193	3122
8	A"	1225	1198
9	A"	937	916

Atom	x (Å)	y (Å)	z (Å)
C1	0.529	-1.116	0.000
F2	-0.598	-1.925	0.000
Br3	0.000	0.761	0.000
H4	1.103	-1.300	0.919
H5	1.103	-1.300	-0.919

	C1	F2	Br3	H4	H5
C1		1.3871	1.9494	1.0990	1.0990
F2	1.3871		2.7516	2.0312	2.0312
Br3	1.9494	2.7516		2.5112	2.5112
H4	1.0990	2.0312	2.5112		1.8380
H5	1.0990	2.0312	2.5112	1.8380

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	109.975	F2	C1	H4	109.029
F2	C1	H5	109.029	Br3	C1	H4	107.638
Br3	C1	H5	107.638	H4	C1	H5	113.490

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

using model chemistry: QCISD(T)/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: QCISD(T)/aug-cc-pVDZ

States and conformations

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