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	hartrees
Energy at 0K	-2809.746360
Energy at 298.15K	-2809.751484
HF Energy	-2809.746360
Nuclear repulsion energy	260.930421

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3382	2893	25.10
2	A'	1458	1247	161.29
3	A'	1237	1059	354.74
4	A'	783	670	145.45
5	A'	639	547	9.28
6	A'	353	302	0.12
7	A"	1543	1320	35.54
8	A"	1292	1106	252.80
9	A"	347	297	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	-0.418	-0.910	0.000
H2	-1.489	-0.984	0.000
Br3	0.075	0.955	0.000
F4	0.075	-1.499	1.067
F5	0.075	-1.499	-1.067

	C1	H2	Br3	F4	F5
C1		1.0733	1.9288	1.3156	1.3156
H2	1.0733		2.4911	1.9624	1.9624
Br3	1.9288	2.4911		2.6767	2.6767
F4	1.3156	1.9624	2.6767		2.1350
F5	1.3156	1.9624	2.6767	2.1350

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.781	H2	C1	F4	110.057
H2	C1	F5	110.057	Br3	C1	F4	109.734
Br3	C1	F5	109.734	F4	C1	F5	108.471

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

using model chemistry: ROHF/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	0.347
2	H	0.234
3	Br	-0.067
4	F	-0.257
5	F	-0.257

	x	y	z	Total
	-1.642	-0.002	0.000	1.642
CHELPG
AIM
ESP

<r²>	123.822
(<r²>)^1/2	11.128

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

using model chemistry: ROHF/6-311G*

States and conformations

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