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	hartrees
Energy at 0K	-3632.376203
Energy at 298.15K	-3632.379819
HF Energy	-3632.376203
Nuclear repulsion energy	523.161558

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'	1110	1069	214.17	0.53	0.71	0.83
2	A'	777	749	309.03	4.51	0.66	0.80
3	A'	503	485	2.51	8.56	0.02	0.03
4	A'	340	327	0.32	4.73	0.69	0.82
5	A'	305	294	0.58	7.49	0.27	0.43
6	A'	220	212	0.28	4.77	0.62	0.76
7	A"	816	786	300.05	1.99	0.75	0.86
8	A"	397	382	0.40	4.24	0.75	0.86
9	A"	205	197	0.05	4.13	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.533	0.128	0.000
Br2	-1.409	0.332	0.000
F3	1.073	1.348	0.000
Cl4	1.073	-0.721	1.459
Cl5	1.073	-0.721	-1.459

	C1	Br2	F3	Cl4	Cl5
C1		1.9533	1.3338	1.7722	1.7722
Br2	1.9533		2.6818	3.0658	3.0658
F3	1.3338	2.6818		2.5317	2.5317
Cl4	1.7722	3.0658	2.5317		2.9179
Cl5	1.7722	3.0658	2.5317	2.9179

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	107.850	Br2	C1	Cl4	110.661
Br2	C1	Cl5	110.661	F3	C1	Cl4	108.369
F3	C1	Cl5	108.369	Cl4	C1	Cl5	110.825

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)

using model chemistry: B3PW91/6-311G**

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	-0.076
2	Br	0.094
3	F	-0.138
4	Cl	0.060
5	Cl	0.060

	x	y	z	Total
	-0.333	-0.344	0.000	0.478
CHELPG
AIM
ESP

	x	y	z
x	8.034	-1.309	0.000
y	-1.309	5.248	0.000
z	0.000	0.000	7.626

<r²>	264.454
(<r²>)^1/2	16.262

All results from a given calculation for CBrCl2F (bromodichlorofluoromethane)

using model chemistry: B3PW91/6-311G**

States and conformations

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)