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	hartrees
Energy at 0K	-5282.029615
Energy at 298.15K
HF Energy	-5282.029615
Nuclear repulsion energy	483.550244

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'	3198	3040	1.07	84.05	0.26	0.41
2	A'	1337	1271	24.05	5.36	0.73	0.84
3	A'	1184	1125	169.71	1.85	0.71	0.83
4	A'	634	602	26.40	11.53	0.10	0.18
5	A'	363	345	0.48	4.60	0.18	0.31
6	A'	181	172	0.02	3.47	0.46	0.63
7	A"	1206	1146	93.71	3.26	0.75	0.86
8	A"	724	688	205.76	5.15	0.75	0.86
9	A"	304	289	0.00	2.13	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.103	0.796	0.000
H2	-1.012	1.391	0.000
F3	0.981	1.582	0.000
Br4	-0.103	-0.291	1.597
Br5	-0.103	-0.291	-1.597

	C1	H2	F3	Br4	Br5
C1		1.0866	1.3387	1.9316	1.9316
H2	1.0866		2.0018	2.4913	2.4913
F3	1.3387	2.0018		2.6893	2.6893
Br4	1.9316	2.4913	2.6893		3.1932
Br5	1.9316	2.4913	2.6893	3.1932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.826	H2	C1	Br4	107.963
H2	C1	Br5	107.963	F3	C1	Br4	109.295
F3	C1	Br5	109.295	Br4	C1	Br5	111.492

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: M06-2X/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	0.167
2	H	0.204
3	F	-0.243
4	Br	-0.064
5	Br	-0.064

	x	y	z	Total
	-1.072	0.612	0.000	1.234
CHELPG
AIM
ESP

	x	y	z
x	4.727	0.108	0.000
y	0.108	5.714	0.000
z	0.000	0.000	8.940

<r²>	252.337
(<r²>)^1/2	15.885

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: M06-2X/6-31G**

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)