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	hartrees
Energy at 0K	-2812.092011
Energy at 298.15K
HF Energy	-2811.740849
Nuclear repulsion energy	257.273991

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'	3181	3181	18.12	83.10	0.25	0.40
2	A'	1319	1319	110.16	3.32	0.55	0.71
3	A'	1119	1119	290.69	1.74	0.58	0.74
4	A'	715	715	129.75	12.25	0.29	0.45
5	A'	584	584	7.15	2.25	0.38	0.55
6	A'	319	319	0.57	5.67	0.35	0.52
7	A"	1401	1401	21.31	5.25	0.75	0.86
8	A"	1154	1154	226.66	2.05	0.75	0.86
9	A"	317	317	0.46	2.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.425	-0.919	0.000
H2	-1.509	-0.985	0.000
Br3	0.077	0.967	0.000
F4	0.077	-1.518	1.088
F5	0.077	-1.518	-1.088

	C1	H2	Br3	F4	F5
C1		1.0858	1.9509	1.3397	1.3397
H2	1.0858		2.5140	1.9953	1.9953
Br3	1.9509	2.5140		2.7128	2.7128
F4	1.3397	1.9953	2.7128		2.1764
F5	1.3397	1.9953	2.7128	2.1764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.372	H2	C1	F4	110.257
H2	C1	F5	110.257	Br3	C1	F4	109.657
Br3	C1	F5	109.657	F4	C1	F5	108.633

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

using model chemistry: B2PLYP=FULL/6-311G**

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/6-311G**

States and conformations

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