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	hartrees
Energy at 0K	-2778.725058
Energy at 298.15K	-2778.730008
HF Energy	-2778.725058
Nuclear repulsion energy	254.705994

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3525	2879	5.58
2	A'	1499	1224	122.36
3	A'	1301	1063	63.74
4	A'	831	678	62.83
5	A'	584	477	12.93
6	A'	364	297	1.22
7	A"	1603	1309	45.81
8	A"	1375	1123	25.71
9	A"	337	275	3.17

Atom	x (Å)	y (Å)	z (Å)
C1	-0.423	-0.904	0.000
H2	-1.533	-0.966	0.000
Br3	0.077	0.972	0.000
F4	0.077	-1.535	1.110
F5	0.077	-1.535	-1.110

	C1	H2	Br3	F4	F5
C1		1.1114	1.9421	1.3708	1.3708
H2	1.1114		2.5196	2.0363	2.0363
Br3	1.9421	2.5196		2.7418	2.7418
F4	1.3708	2.0363	2.7418		2.2193
F5	1.3708	2.0363	2.7418	2.2193

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.100	H2	C1	F4	109.801
H2	C1	F5	109.801	Br3	C1	F4	110.521
Br3	C1	F5	110.521	F4	C1	F5	108.095

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	0.197
2	H	0.087
3	Br	-0.028
4	F	-0.128
5	F	-0.128

	x	y	z	Total
	-1.164	-0.501	0.000	1.267
CHELPG
AIM
ESP

	x	y	z
x	1.055	0.430	0.000
y	0.430	3.071	0.000
z	0.000	0.000	1.126

<r²>	126.511
(<r²>)^1/2	11.248

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

using model chemistry: HF/STO-3G

States and conformations

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