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	hartrees
Energy at 0K	-5286.031719
Energy at 298.15K
HF Energy	-5286.031719
Nuclear repulsion energy	481.091779

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'	3170	3049	1.47	85.99	0.24	0.38
2	A'	1306	1256	19.57	4.79	0.71	0.83
3	A'	1141	1097	203.54	1.18	0.75	0.86
4	A'	625	602	25.30	10.26	0.13	0.23
5	A'	361	348	0.53	5.22	0.20	0.34
6	A'	171	165	0.00	4.67	0.50	0.67
7	A"	1175	1130	87.58	2.80	0.75	0.86
8	A"	705	678	214.30	4.28	0.75	0.86
9	A"	298	287	0.26	2.47	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.101	0.790	0.000
H2	-1.025	1.378	0.000
F3	0.969	1.595	0.000
Br4	-0.101	-0.292	1.608
Br5	-0.101	-0.292	-1.608

	C1	H2	F3	Br4	Br5
C1		1.0957	1.3397	1.9382	1.9382
H2	1.0957		2.0063	2.4963	2.4963
F3	1.3397	2.0063		2.7009	2.7009
Br4	1.9382	2.4963	2.7009		3.2163
Br5	1.9382	2.4963	2.7009	3.2163

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.530	H2	C1	Br4	107.459
H2	C1	Br5	107.459	F3	C1	Br4	109.611
F3	C1	Br5	109.611	Br4	C1	Br5	112.134

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: HSEh1PBE/cc-pVDZ

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	0.043
2	H	0.131
3	F	-0.143
4	Br	-0.016
5	Br	-0.016

	x	y	z	Total
	-1.072	0.525	0.000	1.194
CHELPG
AIM
ESP

	x	y	z
x	4.036	0.164	0.000
y	0.164	5.300	0.000
z	0.000	0.000	8.785

<r²>	254.982
(<r²>)^1/2	15.968

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)