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	hartrees
Energy at 0K	-2698.322938
Energy at 298.15K	-2698.328377
HF Energy	-2697.969632
Nuclear repulsion energy	162.370457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3154	2990	18.35
2	A'	1598	1515	0.97
3	A'	1408	1334	66.43
4	A'	1091	1034	98.53
5	A'	654	620	62.71
6	A'	298	283	1.00
7	A"	3230	3062	12.43
8	A"	1278	1212	1.67
9	A"	985	934	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.529	-1.121	0.000
F2	-0.600	-1.956	0.000
Br3	0.000	0.768	0.000
H4	1.116	-1.277	0.902
H5	1.116	-1.277	-0.902

	C1	F2	Br3	H4	H5
C1		1.4045	1.9611	1.0874	1.0874
F2	1.4045		2.7893	2.0544	2.0544
Br3	1.9611	2.7893		2.4978	2.4978
H4	1.0874	2.0544	2.4978		1.8036
H5	1.0874	2.0544	2.4978	1.8036

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.857	F2	C1	H4	110.413
F2	C1	H5	110.413	Br3	C1	H4	106.487
Br3	C1	H5	106.487	H4	C1	H5	112.054

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

using model chemistry: MP2=FULL/3-21G*

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=FULL/3-21G*

States and conformations

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