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	hartrees
Energy at 0K	-2711.516789
Energy at 298.15K	-2711.522257
HF Energy	-2710.923529
Nuclear repulsion energy	164.604086

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3148	3007	19.17
2	A'	1533	1464	0.67
3	A'	1390	1328	77.63
4	A'	1112	1062	191.13
5	A'	657	627	62.25
6	A'	318	304	0.62
7	A"	3232	3088	7.04
8	A"	1281	1224	3.75
9	A"	964	920	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.516	-1.119	0.000
F2	-0.586	-1.918	0.000
Br3	0.000	0.759	0.000
H4	1.089	-1.296	0.904
H5	1.089	-1.296	-0.904

	C1	F2	Br3	H4	H5
C1		1.3614	1.9476	1.0853	1.0853
F2	1.3614		2.7410	2.0029	2.0029
Br3	1.9476	2.7410		2.4956	2.4956
H4	1.0853	2.0029	2.4956		1.8085
H5	1.0853	2.0029	2.4956	1.8085

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.611	F2	C1	H4	109.376
F2	C1	H5	109.376	Br3	C1	H4	107.296
Br3	C1	H5	107.296	H4	C1	H5	112.855

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

using model chemistry: QCISD/TZVP

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/TZVP

States and conformations

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