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	hartrees
Energy at 0K	-2812.572101
Energy at 298.15K	-2812.576910
HF Energy	-2812.572101
Nuclear repulsion energy	252.251922

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3053	3041	18.30
2	A'	1234	1229	87.10
3	A'	1044	1040	283.45
4	A'	647	645	134.33
5	A'	551	549	8.04
6	A'	284	283	3.04
7	A"	1327	1322	15.53
8	A"	1064	1060	227.27
9	A"	291	290	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	-0.431	-0.948	0.000
H2	-1.525	-1.003	0.000
Br3	0.078	0.989	0.000
F4	0.078	-1.551	1.104
F5	0.078	-1.551	-1.104

	C1	H2	Br3	F4	F5
C1		1.0948	2.0031	1.3566	1.3566
H2	1.0948		2.5567	2.0213	2.0213
Br3	2.0031	2.5567		2.7696	2.7696
F4	1.3566	2.0213	2.7696		2.2073
F5	1.3566	2.0213	2.7696	2.2073

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.595	H2	C1	F4	110.635
H2	C1	F5	110.635	Br3	C1	F4	109.538
Br3	C1	F5	109.538	F4	C1	F5	108.880

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	0.243
2	H	0.145
3	Br	-0.061
4	F	-0.163
5	F	-0.163

	x	y	z	Total
	-1.435	-0.272	0.000	1.460
CHELPG
AIM
ESP

	x	y	z
x	3.237	0.589	0.000
y	0.589	6.151	0.000
z	0.000	0.000	3.334

<r²>	130.945
(<r²>)^1/2	11.443

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-)