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	hartrees
Energy at 0K	-3632.506900
Energy at 298.15K	-3632.510584
HF Energy	-3632.506900
Nuclear repulsion energy	526.966521

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'	1144	1144	158.11	5.73	0.36	0.52
2	A'	810	810	240.11	7.20	0.67	0.80
3	A'	519	519	1.39	13.70	0.01	0.03
4	A'	346	346	0.09	1.72	0.71	0.83
5	A'	313	313	0.23	5.40	0.15	0.25
6	A'	222	222	0.10	2.98	0.50	0.67
7	A"	854	854	220.91	4.07	0.75	0.86
8	A"	403	403	0.03	2.00	0.75	0.86
9	A"	207	207	0.04	1.52	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.530	0.129	0.000
Br2	-1.400	0.325	0.000
F3	1.066	1.346	0.000
Cl4	1.066	-0.714	1.446
Cl5	1.066	-0.714	-1.446

	C1	Br2	F3	Cl4	Cl5
C1		1.9400	1.3299	1.7570	1.7570
Br2	1.9400		2.6686	3.0413	3.0413
F3	1.3299	2.6686		2.5164	2.5164
Cl4	1.7570	3.0413	2.5164		2.8917
Cl5	1.7570	3.0413	2.5164	2.8917

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	107.941	Br2	C1	Cl4	110.600
Br2	C1	Cl5	110.600	F3	C1	Cl4	108.423
F3	C1	Cl5	108.423	Cl4	C1	Cl5	110.757

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)

using model chemistry: M06-2X/6-311+G(3df,2p)

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	0.327
2	Br	0.063
3	F	-0.202
4	Cl	-0.094
5	Cl	-0.094

	x	y	z	Total
	-0.199	-0.404	0.000	0.450
CHELPG
AIM
ESP

	x	y	z
x	10.304	-1.048	0.000
y	-1.048	7.981	0.000
z	0.000	0.000	9.715

<r²>	260.919
(<r²>)^1/2	16.153

All results from a given calculation for CBrCl2F (bromodichlorofluoromethane)

using model chemistry: M06-2X/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)