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	hartrees
Energy at 0K	-2812.570520
Energy at 298.15K	-2812.575326
HF Energy	-2812.570520
Nuclear repulsion energy	252.319661

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3062	3055	21.62
2	A'	1249	1246	95.70
3	A'	1047	1044	282.52
4	A'	649	648	133.95
5	A'	552	551	8.30
6	A'	285	284	3.01
7	A"	1338	1335	16.58
8	A"	1066	1064	228.79
9	A"	292	291	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	-0.430	-0.948	0.000
H2	-1.523	-1.011	0.000
Br3	0.077	0.989	0.000
F4	0.077	-1.551	1.104
F5	0.077	-1.551	-1.104

	C1	H2	Br3	F4	F5
C1		1.0946	2.0027	1.3558	1.3558
H2	1.0946		2.5612	2.0177	2.0177
Br3	2.0027	2.5612		2.7688	2.7688
F4	1.3558	2.0177	2.7688		2.2071
F5	1.3558	2.0177	2.7688	2.2071

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.951	H2	C1	F4	110.404
H2	C1	F5	110.404	Br3	C1	F4	109.553
Br3	C1	F5	109.553	F4	C1	F5	108.960

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	0.150
2	H	0.225
3	Br	-0.050
4	F	-0.162
5	F	-0.162

	x	y	z	Total
	-1.431	-0.276	0.000	1.457
CHELPG
AIM
ESP

	x	y	z
x	3.224	0.585	0.000
y	0.585	6.126	0.000
z	0.000	0.000	3.314

<r²>	130.900
(<r²>)^1/2	11.441

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

using model chemistry: BLYP/6-311G*

States and conformations

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