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	hartrees
Energy at 0K	-3632.529466
Energy at 298.15K	-3632.533128
HF Energy	-3632.529466
Nuclear repulsion energy	526.507489

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'	1141	1141	175.21	2.26	0.59	0.74
2	A'	810	810	246.61	8.60	0.62	0.77
3	A'	516	516	1.58	10.24	0.01	0.03
4	A'	343	343	0.04	2.48	0.74	0.85
5	A'	311	311	0.15	5.75	0.21	0.35
6	A'	220	220	0.05	2.89	0.61	0.75
7	A"	853	853	228.96	4.12	0.75	0.86
8	A"	400	400	0.02	2.65	0.75	0.86
9	A"	206	206	0.03	2.33	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.530	0.131	0.000
Br2	-1.401	0.323	0.000
F3	1.067	1.352	0.000
Cl4	1.067	-0.714	1.446
Cl5	1.067	-0.714	-1.446

	C1	Br2	F3	Cl4	Cl5
C1		1.9411	1.3335	1.7583	1.7583
Br2	1.9411		2.6735	3.0425	3.0425
F3	1.3335	2.6735		2.5211	2.5211
Cl4	1.7583	3.0425	2.5211		2.8921
Cl5	1.7583	3.0425	2.5211	2.8921

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	108.020	Br2	C1	Cl4	110.560
Br2	C1	Cl5	110.560	F3	C1	Cl4	108.477
F3	C1	Cl5	108.477	Cl4	C1	Cl5	110.657

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)

using model chemistry: M06-2X/Def2TZVPP

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	0.162
2	Br	-0.030
3	F	-0.119
4	Cl	-0.007
5	Cl	-0.007

	x	y	z	Total
	-0.218	-0.400	0.000	0.455
CHELPG
AIM
ESP

	x	y	z
x	9.327	-1.086	0.000
y	-1.086	6.869	0.000
z	0.000	0.000	8.725

<r²>	261.132
(<r²>)^1/2	16.160

All results from a given calculation for CBrCl2F (bromodichlorofluoromethane)

using model chemistry: M06-2X/Def2TZVPP

States and conformations

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)