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	hartrees
Energy at 0K	-2807.395699
Energy at 298.15K	-2807.400834
HF Energy	-2807.395699
Nuclear repulsion energy	262.755336

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3320	3007	19.99
2	A'	1443	1307	117.65
3	A'	1248	1130	280.54
4	A'	786	712	127.61
5	A'	640	579	7.53
6	A'	358	324	0.06
7	A"	1531	1386	25.22
8	A"	1306	1182	191.90
9	A"	348	315	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	-0.418	-0.899	0.000
H2	-1.492	-0.971	0.000
Br3	0.075	0.946	0.000
F4	0.075	-1.486	1.064
F5	0.075	-1.486	-1.064

	C1	H2	Br3	F4	F5
C1		1.0767	1.9095	1.3119	1.3119
H2	1.0767		2.4766	1.9633	1.9633
Br3	1.9095	2.4766		2.6548	2.6548
F4	1.3119	1.9633	2.6548		2.1285
F5	1.3119	1.9633	2.6548	2.1285

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.844	H2	C1	F4	110.174
H2	C1	F5	110.174	Br3	C1	F4	109.601
Br3	C1	F5	109.601	F4	C1	F5	108.436

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

using model chemistry: HF/6-31G(2df,p)

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	0.258
2	H	0.164
3	Br	-0.046
4	F	-0.188
5	F	-0.188

	x	y	z	Total
	-1.422	-0.164	0.000	1.431
CHELPG
AIM
ESP

	x	y	z
x	4.076	0.389	0.000
y	0.389	5.666	0.000
z	0.000	0.000	4.047

<r²>	121.881
(<r²>)^1/2	11.040

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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