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	hartrees
Energy at 0K	-2681.342383
Energy at 298.15K	-2681.347830
HF Energy	-2681.260418
Nuclear repulsion energy	162.374241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3326	2900	7.21
2	A'	1690	1473	1.14
3	A'	1482	1292	67.87
4	A'	1248	1088	29.58
5	A'	760	663	24.61
6	A'	340	297	1.80
7	A"	3438	2998	7.02
8	A"	1344	1172	2.97
9	A"	1015	885	3.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.513	-1.114	0.000
F2	-0.596	-1.958	0.000
Br3	0.000	0.769	0.000
H4	1.141	-1.300	0.907
H5	1.141	-1.300	-0.907

	C1	F2	Br3	H4	H5
C1		1.3936	1.9518	1.1187	1.1187
F2	1.3936		2.7912	2.0669	2.0669
Br3	1.9518	2.7912		2.5310	2.5310
H4	1.1187	2.0669	2.5310		1.8144
H5	1.1187	2.0669	2.5310	1.8144

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	112.014	F2	C1	H4	110.232
F2	C1	H5	110.232	Br3	C1	H4	107.937
Br3	C1	H5	107.937	H4	C1	H5	108.373

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

using model chemistry: MP2/STO-3G

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: MP2/STO-3G

States and conformations

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