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	hartrees
Energy at 0K	-5286.778120
Energy at 298.15K
HF Energy	-5286.778120
Nuclear repulsion energy	479.836084

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3176	3057	3.03
2	A'	1341	1291	20.20
3	A'	1115	1074	210.88
4	A'	623	600	26.69
5	A'	359	346	0.60
6	A'	169	162	0.00
7	A"	1208	1163	100.20
8	A"	695	669	230.82
9	A"	298	287	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	-0.101	0.787	0.000
H2	-1.012	1.378	0.000
F3	0.968	1.595	0.000
Br4	-0.101	-0.292	1.615
Br5	-0.101	-0.292	-1.615

	C1	H2	F3	Br4	Br5
C1		1.0858	1.3400	1.9427	1.9427
H2	1.0858		1.9917	2.4958	2.4958
F3	1.3400	1.9917		2.7043	2.7043
Br4	1.9427	2.4958	2.7043		3.2304
Br5	1.9427	2.4958	2.7043	3.2304

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.939	H2	C1	Br4	107.608
H2	C1	Br5	107.608	F3	C1	Br4	109.570
F3	C1	Br5	109.570	Br4	C1	Br5	112.494

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: B3PW91/6-311G*

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	-0.172
2	H	0.294
3	F	-0.169
4	Br	0.024
5	Br	0.024

	x	y	z	Total
	-1.178	0.495	0.000	1.277
CHELPG
AIM
ESP

	x	y	z
x	4.133	0.191	0.000
y	0.191	5.436	0.000
z	0.000	0.000	9.213

<r²>	256.722
(<r²>)^1/2	16.023

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)