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	hartrees
Energy at 0K	-2808.657005
Energy at 298.15K
HF Energy	-2808.657005
Nuclear repulsion energy	258.933327

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3049	3020	16.49	89.00	0.26	0.42
2	A'	1252	1240	82.57	3.82	0.65	0.79
3	A'	1127	1117	290.37	1.16	0.37	0.54
4	A'	699	693	129.46	9.95	0.29	0.45
5	A'	582	576	8.05	2.21	0.41	0.58
6	A'	313	310	1.12	5.09	0.36	0.53
7	A"	1336	1323	27.58	5.55	0.75	0.86
8	A"	1159	1148	220.33	2.53	0.75	0.86
9	A"	308	305	0.41	2.53	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.423	-0.917	0.000
H2	-1.521	-0.980	0.000
Br3	0.077	0.960	0.000
F4	0.077	-1.506	1.080
F5	0.077	-1.506	-1.080

	C1	H2	Br3	F4	F5
C1		1.1004	1.9418	1.3282	1.3282
H2	1.1004		2.5132	1.9993	1.9993
Br3	1.9418	2.5132		2.6924	2.6924
F4	1.3282	1.9993	2.6924		2.1609
F5	1.3282	1.9993	2.6924	2.1609

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.197	H2	C1	F4	110.465
H2	C1	F5	110.465	Br3	C1	F4	109.411
Br3	C1	F5	109.411	F4	C1	F5	108.874

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

using model chemistry: SVWN/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	0.039
2	H	0.258
3	Br	-0.023
4	F	-0.137
5	F	-0.137

	x	y	z	Total
	-1.398	-0.241	0.000	1.418
CHELPG
AIM
ESP

	x	y	z
x	3.205	0.558	0.000
y	0.558	5.794	0.000
z	0.000	0.000	3.222

<r²>	124.981
(<r²>)^1/2	11.180

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

using model chemistry: SVWN/6-311G*

States and conformations

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