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	hartrees
Energy at 0K	-2807.227657
Energy at 298.15K	-2807.232763
HF Energy	-2807.227657
Nuclear repulsion energy	260.929772

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3373	3050	10.43
2	A'	1442	1304	135.57
3	A'	1228	1110	321.09
4	A'	776	702	144.12
5	A'	626	566	8.32
6	A'	351	318	0.12
7	A"	1510	1365	27.32
8	A"	1278	1156	238.54
9	A"	344	311	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	-0.424	-0.902	0.000
H2	-1.496	-0.980	0.000
Br3	0.076	0.953	0.000
F4	0.076	-1.497	1.071
F5	0.076	-1.497	-1.071

	C1	H2	Br3	F4	F5
C1		1.0746	1.9214	1.3234	1.3234
H2	1.0746		2.4916	1.9714	1.9714
Br3	1.9214	2.4916		2.6740	2.6740
F4	1.3234	1.9714	2.6740		2.1419
F5	1.3234	1.9714	2.6740	2.1419

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	109.250	H2	C1	F4	110.156
H2	C1	F5	110.156	Br3	C1	F4	109.610
Br3	C1	F5	109.610	F4	C1	F5	108.041

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

using model chemistry: HF/6-31+G**

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	0.628
2	H	0.159
3	Br	-0.142
4	F	-0.322
5	F	-0.322

	x	y	z	Total
	-1.655	0.109	0.000	1.659
CHELPG
AIM
ESP

	x	y	z
x	3.872	0.413	0.000
y	0.413	5.752	0.000
z	0.000	0.000	3.867

<r²>	123.849
(<r²>)^1/2	11.129

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

using model chemistry: HF/6-31+G**

States and conformations

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