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	hartrees
Energy at 0K	-3631.609156
Energy at 298.15K	-3631.612632
HF Energy	-3631.609156
Nuclear repulsion energy	518.504404

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	1049	209.66	0.38	0.52	0.69
2	A'	725	718	322.46	2.70	0.67	0.80
3	A'	482	478	2.85	9.07	0.02	0.04
4	A'	325	322	1.00	5.47	0.66	0.79
5	A'	290	288	1.32	7.94	0.27	0.42
6	A'	210	208	0.44	5.37	0.61	0.76
7	A"	760	753	313.08	1.27	0.75	0.86
8	A"	380	376	1.63	4.72	0.75	0.86
9	A"	196	195	0.07	4.67	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.540	0.131	0.000
Br2	-1.423	0.334	0.000
F3	1.083	1.361	0.000
Cl4	1.083	-0.727	1.471
Cl5	1.083	-0.727	-1.471

	C1	Br2	F3	Cl4	Cl5
C1		1.9729	1.3447	1.7875	1.7875
Br2	1.9729		2.7077	3.0928	3.0928
F3	1.3447	2.7077		2.5545	2.5545
Cl4	1.7875	3.0928	2.5545		2.9424
Cl5	1.7875	3.0928	2.5545	2.9424

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	107.905	Br2	C1	Cl4	110.571
Br2	C1	Cl5	110.571	F3	C1	Cl4	108.456
F3	C1	Cl5	108.456	Cl4	C1	Cl5	110.787

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)

using model chemistry: PBEPBE/6-311G**

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	-0.115
2	Br	0.093
3	F	-0.106
4	Cl	0.064
5	Cl	0.064

	x	y	z	Total
	-0.273	-0.243	0.000	0.365
CHELPG
AIM
ESP

	x	y	z
x	8.425	-1.388	0.000
y	-1.388	5.460	0.000
z	0.000	0.000	7.995

<r²>	268.723
(<r²>)^1/2	16.393

All results from a given calculation for CBrCl2F (bromodichlorofluoromethane)

using model chemistry: PBEPBE/6-311G**

States and conformations

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)