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	hartrees
Energy at 0K	-3589.253137
Energy at 298.15K	-3589.256726
HF Energy	-3589.253137
Nuclear repulsion energy	514.922618

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'	1385	1131	102.28	3.75	0.38	0.55
2	A'	1005	821	197.57	9.68	0.66	0.79
3	A'	557	455	9.44	12.07	0.02	0.03
4	A'	364	297	3.82	3.06	0.75	0.86
5	A'	323	264	3.67	5.31	0.34	0.51
6	A'	228	186	1.50	3.52	0.71	0.83
7	A"	1007	822	221.62	12.19	0.75	0.86
8	A"	407	332	2.45	3.60	0.75	0.86
9	A"	216	176	0.43	3.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.502	0.166	0.000
Br2	-1.421	0.331	0.000
F3	1.086	1.391	0.000
Cl4	1.086	-0.738	1.491
Cl5	1.086	-0.738	-1.491

	C1	Br2	F3	Cl4	Cl5
C1		1.9300	1.3578	1.8383	1.8383
Br2	1.9300		2.7218	3.1062	3.1062
F3	1.3578	2.7218		2.5993	2.5993
Cl4	1.8383	3.1062	2.5993		2.9810
Cl5	1.8383	3.1062	2.5993	2.9810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	110.554	Br2	C1	Cl4	111.015
Br2	C1	Cl5	111.015	F3	C1	Cl4	107.892
F3	C1	Cl5	107.892	Cl4	C1	Cl5	108.353

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)

using model chemistry: HF/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	0.199
2	Br	0.096
3	F	-0.079
4	Cl	-0.108
5	Cl	-0.108

	x	y	z	Total
	-0.912	1.067	0.000	1.403
CHELPG
AIM
ESP

	x	y	z
x	3.946	-0.923	0.000
y	-0.923	1.957	0.000
z	0.000	0.000	3.645

<r²>	270.147
(<r²>)^1/2	16.436

All results from a given calculation for CBrCl2F (bromodichlorofluoromethane)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)