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	hartrees
Energy at 0K	-5281.034961
Energy at 298.15K
HF Energy	-5281.034961
Nuclear repulsion energy	478.780824

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'	3100	3065	0.03	77.51	0.25	0.40
2	A'	1255	1241	12.59	5.11	0.61	0.75
3	A'	1032	1021	199.89	1.30	0.75	0.85
4	A'	604	597	27.60	13.33	0.05	0.10
5	A'	346	342	0.28	5.62	0.14	0.24
6	A'	166	164	0.01	3.69	0.46	0.63
7	A"	1152	1138	80.47	2.42	0.75	0.86
8	A"	655	647	225.55	3.50	0.75	0.86
9	A"	284	281	0.28	2.46	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.105	0.801	0.000
H2	-1.013	1.416	0.000
F3	1.000	1.603	0.000
Br4	-0.105	-0.295	1.610
Br5	-0.105	-0.295	-1.610

	C1	H2	F3	Br4	Br5
C1		1.0966	1.3654	1.9475	1.9475
H2	1.0966		2.0217	2.5187	2.5187
F3	1.3654	2.0217		2.7229	2.7229
Br4	1.9475	2.5187	2.7229		3.2198
Br5	1.9475	2.5187	2.7229	3.2198

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.923	H2	C1	Br4	108.405
H2	C1	Br5	108.405	F3	C1	Br4	109.290
F3	C1	Br5	109.290	Br4	C1	Br5	111.511

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: PBEPBEultrafine/6-31+G**

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	-0.076
2	H	0.224
3	F	-0.139
4	Br	-0.005
5	Br	-0.005

	x	y	z	Total
	-1.146	0.388	0.000	1.209
CHELPG
AIM
ESP

	x	y	z
x	6.167	0.283	0.000
y	0.283	7.147	0.000
z	0.000	0.000	10.735

<r²>	257.107
(<r²>)^1/2	16.035

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: PBEPBEultrafine/6-31+G**

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)