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	hartrees
Energy at 0K	-5262.459106
Energy at 298.15K
HF Energy	-5262.459106
Nuclear repulsion energy	483.508573

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'	3195	3057	4.00	79.05	0.27	0.43
2	A'	1333	1275	15.12	7.23	0.75	0.86
3	A'	1119	1071	119.88	1.74	0.74	0.85
4	A'	635	608	22.34	10.93	0.10	0.18
5	A'	346	331	0.56	4.57	0.24	0.39
6	A'	170	162	0.04	3.80	0.50	0.67
7	A"	1227	1174	71.34	4.96	0.75	0.86
8	A"	713	683	189.46	4.85	0.75	0.86
9	A"	278	266	0.36	2.41	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.105	0.805	0.000
H2	-1.023	1.381	0.000
F3	0.997	1.630	0.000
Br4	-0.105	-0.298	1.581
Br5	-0.105	-0.298	-1.581

	C1	H2	F3	Br4	Br5
C1		1.0842	1.3769	1.9278	1.9278
H2	1.0842		2.0355	2.4827	2.4827
F3	1.3769	2.0355		2.7263	2.7263
Br4	1.9278	2.4827	2.7263		3.1622
Br5	1.9278	2.4827	2.7263	3.1622

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	111.040	H2	C1	Br4	107.716
H2	C1	Br5	107.716	F3	C1	Br4	110.056
F3	C1	Br5	110.056	Br4	C1	Br5	110.203

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: B1B95/3-21G

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	-0.021
2	H	0.292
3	F	-0.261
4	Br	-0.005
5	Br	-0.005

	x	y	z	Total
	-1.287	0.262	0.000	1.314
CHELPG
AIM
ESP

	x	y	z
x	4.064	0.189	0.000
y	0.189	5.148	0.000
z	0.000	0.000	8.209

<r²>	250.517
(<r²>)^1/2	15.828

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: B1B95/3-21G

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)