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	hartrees
Energy at 0K	-3629.096493
Energy at 298.15K	-3629.100103
HF Energy	-3628.870218
Nuclear repulsion energy	522.340644

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'	1134	1134	180.79	1.17	0.70	0.82
2	A'	789	789	277.28	4.34	0.67	0.80
3	A'	502	502	3.07	9.59	0.01	0.03
4	A'	338	338	0.03	3.98	0.66	0.79
5	A'	303	303	0.22	6.68	0.24	0.39
6	A'	221	221	0.08	3.80	0.61	0.76
7	A"	841	841	260.32	2.50	0.75	0.86
8	A"	393	393	0.00	3.62	0.75	0.86
9	A"	208	208	0.01	3.05	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.537	0.128	0.000
Br2	-1.410	0.327	0.000
F3	1.073	1.360	0.000
Cl4	1.073	-0.719	1.462
Cl5	1.073	-0.719	-1.462

	C1	Br2	F3	Cl4	Cl5
C1		1.9574	1.3434	1.7728	1.7728
Br2	1.9574		2.6895	3.0655	3.0655
F3	1.3434	2.6895		2.5416	2.5416
Cl4	1.7728	3.0655	2.5416		2.9247
Cl5	1.7728	3.0655	2.5416	2.9247

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	107.680	Br2	C1	Cl4	110.438
Br2	C1	Cl5	110.438	F3	C1	Cl4	108.509
F3	C1	Cl5	108.509	Cl4	C1	Cl5	111.159

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)

using model chemistry: B2PLYP/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	0.098
2	Br	-0.016
3	F	-0.219
4	Cl	0.068
5	Cl	0.068

	x	y	z	Total
	-0.206	-0.238	0.000	0.315
CHELPG
AIM
ESP

	x	y	z
x	7.891	-1.127	-0.000
y	-1.127	5.494	-0.000
z	-0.000	-0.000	7.522

<r²>	264.684
(<r²>)^1/2	16.269

All results from a given calculation for CBrCl2F (bromodichlorofluoromethane)

using model chemistry: B2PLYP/6-31G**

States and conformations

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)