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	hartrees
Energy at 0K	-5227.812143
Energy at 298.15K
HF Energy	-5227.776795
Nuclear repulsion energy	470.953162

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'	3297	3297	6.74	42.56	0.37	0.54
2	A'	1411	1411	38.06	6.36	0.75	0.86
3	A'	1227	1227	68.37	3.04	0.68	0.81
4	A'	661	661	22.71	9.66	0.12	0.22
5	A'	382	382	3.84	4.49	0.27	0.43
6	A'	178	178	0.55	3.92	0.58	0.73
7	A"	1308	1308	75.20	8.21	0.75	0.86
8	A"	795	795	121.95	8.44	0.75	0.86
9	A"	307	307	0.04	2.65	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.102	0.791	0.000
H2	-1.058	1.374	0.000
F3	0.977	1.661	0.000
Br4	-0.102	-0.301	1.640
Br5	-0.102	-0.301	-1.640

	C1	H2	F3	Br4	Br5
C1		1.1204	1.3853	1.9704	1.9704
H2	1.1204		2.0547	2.5322	2.5322
F3	1.3853	2.0547		2.7750	2.7750
Br4	1.9704	2.5322	2.7750		3.2804
Br5	1.9704	2.5322	2.7750	3.2804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.723	H2	C1	Br4	106.773
H2	C1	Br5	106.773	F3	C1	Br4	110.359
F3	C1	Br5	110.359	Br4	C1	Br5	112.699

All results from a given calculation for (dibromofluoromethane)

using model chemistry: B2PLYP/STO-3G

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	-0.024
2	H	0.101
3	F	-0.064
4	Br	-0.007
5	Br	-0.007

	x	y	z	Total
	-0.594	0.997	0.000	1.160
CHELPG
AIM
ESP

	x	y	z
x	1.133	0.245	-0.000
y	0.245	2.318	0.001
z	-0.000	0.001	4.911

<r²>	262.508
(<r²>)^1/2	16.202