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	hartrees
Energy at 0K	-3629.801147
Energy at 298.15K	-3629.804501
HF Energy	-3629.801147
Nuclear repulsion energy	507.689361

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'	1059	1019	181.52	0.94	0.75	0.86
2	A'	723	695	289.56	3.18	0.61	0.76
3	A'	447	430	4.46	12.98	0.02	0.05
4	A'	313	301	0.20	6.93	0.66	0.79
5	A'	282	271	0.02	9.91	0.30	0.46
6	A'	204	196	0.00	6.51	0.68	0.81
7	A"	734	706	285.95	3.50	0.75	0.86
8	A"	359	345	0.00	6.81	0.75	0.86
9	A"	192	184	0.00	6.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.531	0.141	0.000
Br2	-1.441	0.336	0.000
F3	1.099	1.402	0.000
Cl4	1.099	-0.742	1.519
Cl5	1.099	-0.742	-1.519

	C1	Br2	F3	Cl4	Cl5
C1		1.9811	1.3832	1.8462	1.8462
Br2	1.9811		2.7540	3.1492	3.1492
F3	1.3832	2.7540		2.6272	2.6272
Cl4	1.8462	3.1492	2.6272		3.0380
Cl5	1.8462	3.1492	2.6272	3.0380

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	108.579	Br2	C1	Cl4	110.689
Br2	C1	Cl5	110.689	F3	C1	Cl4	108.025
F3	C1	Cl5	108.025	Cl4	C1	Cl5	110.728

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)

using model chemistry: B3LYP/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	-0.278
2	Br	0.205
3	F	-0.222
4	Cl	0.148
5	Cl	0.148

	x	y	z	Total
	-0.742	-0.303	0.000	0.802
CHELPG
AIM
ESP

	x	y	z
x	7.554	-1.381	0.000
y	-1.381	4.386	0.000
z	0.000	0.000	7.036

<r²>	278.965
(<r²>)^1/2	16.702

All results from a given calculation for CBrCl2F (bromodichlorofluoromethane)

using model chemistry: B3LYP/6-31G

States and conformations

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)