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	hartrees
Energy at 0K	-2780.413688
Energy at 298.15K
HF Energy	-2780.375940
Nuclear repulsion energy	249.896301

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3235	3235	17.62	43.63	0.38	0.55
2	A'	1363	1363	98.32	6.77	0.75	0.86
3	A'	1179	1179	87.21	2.97	0.64	0.78
4	A'	736	736	64.29	12.38	0.29	0.45
5	A'	545	545	9.33	2.09	0.42	0.59
6	A'	330	330	0.33	4.16	0.45	0.62
7	A"	1459	1459	44.69	4.88	0.75	0.86
8	A"	1244	1244	47.72	4.62	0.75	0.86
9	A"	307	307	2.30	2.44	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.426	-0.931	0.000
H2	-1.555	-0.978	0.000
Br3	0.078	0.993	0.000
F4	0.078	-1.566	1.128
F5	0.078	-1.566	-1.128

	C1	H2	Br3	F4	F5
C1		1.1299	1.9885	1.3891	1.3891
H2	1.1299		2.5595	2.0698	2.0698
Br3	1.9885	2.5595		2.7964	2.7964
F4	1.3891	2.0698	2.7964		2.2556
F5	1.3891	2.0698	2.7964	2.2556

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.086	H2	C1	F4	110.081
H2	C1	F5	110.081	Br3	C1	F4	110.516
Br3	C1	F5	110.516	F4	C1	F5	108.559

All results from a given calculation for CHBrF₂ (Methane, bromodifluoro-)

using model chemistry: B2PLYP=FULL/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 CHBrF2 (Methane, bromodifluoro-)

using model chemistry: B2PLYP=FULL/STO-3G

States and conformations

All results from a given calculation for CHBrF₂ (Methane, bromodifluoro-)