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	hartrees
Energy at 0K	-5285.900899
Energy at 298.15K
HF Energy	-5285.900899
Nuclear repulsion energy	475.384348

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'	3089	3056	3.31	78.46	0.27	0.43
2	A'	1287	1274	17.28	6.59	0.73	0.84
3	A'	1068	1057	205.37	0.72	0.64	0.78
4	A'	598	592	27.07	10.05	0.14	0.24
5	A'	344	340	0.85	6.09	0.21	0.34
6	A'	161	159	0.00	5.69	0.49	0.66
7	A"	1154	1142	92.35	3.27	0.75	0.86
8	A"	647	641	245.58	3.04	0.75	0.86
9	A"	283	280	1.43	3.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.102	0.796	0.000
H2	-1.023	1.386	0.000
F3	0.974	1.611	0.000
Br4	-0.102	-0.295	1.630
Br5	-0.102	-0.295	-1.630

	C1	H2	F3	Br4	Br5
C1		1.0941	1.3503	1.9618	1.9618
H2	1.0941		2.0105	2.5166	2.5166
F3	1.3503	2.0105		2.7298	2.7298
Br4	1.9618	2.5166	2.7298		3.2606
Br5	1.9618	2.5166	2.7298	3.2606

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.223	H2	C1	Br4	107.454
H2	C1	Br5	107.454	F3	C1	Br4	109.627
F3	C1	Br5	109.627	Br4	C1	Br5	112.406

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: PBEPBE/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	-0.203
2	H	0.289
3	F	-0.137
4	Br	0.025
5	Br	0.025

	x	y	z	Total
	-1.083	0.565	0.000	1.221
CHELPG
AIM
ESP

	x	y	z
x	4.254	0.226	0.000
y	0.226	5.651	0.000
z	0.000	0.000	9.687

<r²>	261.092
(<r²>)^1/2	16.158

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: PBEPBE/6-311G*

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)