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	hartrees
Energy at 0K	-2780.815880
Energy at 298.15K	-2780.820501
HF Energy	-2780.815880
Nuclear repulsion energy	244.640186

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3019	2793	32.85
2	A'	1266	1172	82.65
3	A'	1110	1027	95.09
4	A'	660	610	65.53
5	A'	518	479	8.20
6	A'	300	277	1.37
7	A"	1374	1272	44.52
8	A"	1162	1075	62.05
9	A"	283	261	1.36

Atom	x (Å)	y (Å)	z (Å)
C1	-0.430	-0.966	0.000
H2	-1.572	-0.997	0.000
Br3	0.078	1.018	0.000
F4	0.078	-1.603	1.144
F5	0.078	-1.603	-1.144

	C1	H2	Br3	F4	F5
C1		1.1426	2.0484	1.4048	1.4048
H2	1.1426		2.6049	2.0977	2.0977
Br3	2.0484	2.6049		2.8604	2.8604
F4	1.4048	2.0977	2.8604		2.2886
F5	1.4048	2.0977	2.8604	2.2886

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	105.919	H2	C1	F4	110.441
H2	C1	F5	110.441	Br3	C1	F4	110.465
Br3	C1	F5	110.465	F4	C1	F5	109.085

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

using model chemistry: BLYP/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	0.076
2	H	0.083
3	Br	-0.074
4	F	-0.043
5	F	-0.043

	x	y	z	Total
	-0.841	-1.230	0.000	1.490
CHELPG
AIM
ESP

<r²>	135.370
(<r²>)^1/2	11.635

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

using model chemistry: BLYP/STO-3G

States and conformations

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