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	hartrees
Energy at 0K	-5282.543401
Energy at 298.15K
HF Energy	-5282.543401
Nuclear repulsion energy	484.078383

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'	3211	3049	2.07	77.49	0.27	0.42
2	A'	1340	1272	23.23	5.09	0.72	0.84
3	A'	1164	1105	175.99	1.42	0.74	0.85
4	A'	626	594	24.70	10.74	0.10	0.18
5	A'	356	338	0.51	4.69	0.18	0.31
6	A'	175	166	0.01	3.63	0.46	0.63
7	A"	1203	1142	93.08	3.20	0.75	0.86
8	A"	704	669	203.17	4.28	0.75	0.86
9	A"	296	281	0.05	2.20	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.102	0.796	0.000
H2	-1.012	1.387	0.000
F3	0.975	1.588	0.000
Br4	-0.102	-0.292	1.593
Br5	-0.102	-0.292	-1.593

	C1	H2	F3	Br4	Br5
C1		1.0849	1.3373	1.9297	1.9297
H2	1.0849		1.9972	2.4875	2.4875
F3	1.3373	1.9972		2.6901	2.6901
Br4	1.9297	2.4875	2.6901		3.1870
Br5	1.9297	2.4875	2.6901	3.1870

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.648	H2	C1	Br4	107.900
H2	C1	Br5	107.900	F3	C1	Br4	109.521
F3	C1	Br5	109.521	Br4	C1	Br5	111.332

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: B1B95/6-31G*

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	0.112
2	H	0.239
3	F	-0.231
4	Br	-0.060
5	Br	-0.060

	x	y	z	Total
	-1.028	0.575	0.000	1.178
CHELPG
AIM
ESP

	x	y	z
x	4.716	0.147	0.000
y	0.147	5.724	0.000
z	0.000	0.000	9.002

<r²>	251.437
(<r²>)^1/2	15.857

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: B1B95/6-31G*

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)