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	hartrees
Energy at 0K	-3626.117643
Energy at 298.15K	-3626.121515
HF Energy	-3626.117643
Nuclear repulsion energy	528.301642

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'	1261	1138	196.87	3.91	0.48	0.65
2	A'	898	811	279.35	11.59	0.70	0.83
3	A'	547	493	2.55	11.44	0.02	0.04
4	A'	367	331	0.19	3.35	0.70	0.83
5	A'	332	300	0.02	6.98	0.23	0.38
6	A'	241	218	0.01	3.44	0.60	0.75
7	A"	957	864	256.11	8.36	0.75	0.86
8	A"	429	388	0.57	3.33	0.75	0.86
9	A"	227	205	0.00	2.55	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.527	0.123	0.000
Br2	-1.394	0.330	0.000
F3	1.061	1.332	0.000
Cl4	1.061	-0.714	1.448
Cl5	1.061	-0.714	-1.448

	C1	Br2	F3	Cl4	Cl5
C1		1.9326	1.3221	1.7555	1.7555
Br2	1.9326		2.6524	3.0356	3.0356
F3	1.3221	2.6524		2.5065	2.5065
Cl4	1.7555	3.0356	2.5065		2.8963
Cl5	1.7555	3.0356	2.5065	2.8963

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	107.682	Br2	C1	Cl4	110.699
Br2	C1	Cl5	110.699	F3	C1	Cl4	108.235
F3	C1	Cl5	108.235	Cl4	C1	Cl5	111.159

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)

using model chemistry: HF/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	0.175
2	Br	-0.020
3	F	-0.295
4	Cl	0.070
5	Cl	0.070

	x	y	z	Total
	-0.341	-0.355	0.000	0.492
CHELPG
AIM
ESP

	x	y	z
x	7.508	-1.091	0.000
y	-1.091	5.234	0.000
z	0.000	0.000	7.145

<r²>	260.044
(<r²>)^1/2	16.126

All results from a given calculation for CBrCl2F (bromodichlorofluoromethane)

using model chemistry: HF/6-31G**

States and conformations

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)