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	hartrees
Energy at 0K	-2809.875884
Energy at 298.15K	-2809.881009
HF Energy	-2809.875884
Nuclear repulsion energy	260.930911

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3320	3320	9.99
2	A'	1432	1432	112.99
3	A'	1234	1234	318.53
4	A'	776	776	138.16
5	A'	640	640	7.57
6	A'	352	352	0.08
7	A"	1513	1513	19.69
8	A"	1286	1286	221.95
9	A"	342	342	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	-0.419	-0.912	0.000
H2	-1.491	-0.979	0.000
Br3	0.076	0.956	0.000
F4	0.076	-1.501	1.065
F5	0.076	-1.501	-1.065

	C1	H2	Br3	F4	F5
C1		1.0744	1.9318	1.3135	1.3135
H2	1.0744		2.4894	1.9650	1.9650
Br3	1.9318	2.4894		2.6773	2.6773
F4	1.3135	1.9650	2.6773		2.1295
F5	1.3135	1.9650	2.6773	2.1295

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.410	H2	C1	F4	110.353
H2	C1	F5	110.353	Br3	C1	F4	109.700
Br3	C1	F5	109.700	F4	C1	F5	108.318

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

using model chemistry: ROHF/aug-cc-pVTZ

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	0.515
2	H	0.301
3	Br	-0.106
4	F	-0.355
5	F	-0.355

	x	y	z	Total
	-1.528	-0.055	0.000	1.529
CHELPG
AIM
ESP

<r²>	123.886
(<r²>)^1/2	11.130

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

using model chemistry: ROHF/aug-cc-pVTZ

States and conformations

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