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	hartrees
Energy at 0K	-5742.220288
Energy at 298.15K
HF Energy	-5742.220288
Nuclear repulsion energy	738.021806

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'	1113	1065	185.03	3.09	0.43	0.60
2	A'	814	779	240.53	5.94	0.58	0.74
3	A'	469	449	1.41	9.68	0.02	0.04
4	A'	344	329	0.00	3.41	0.40	0.57
5	A'	272	260	0.21	6.00	0.19	0.32
6	A'	168	161	0.04	2.18	0.61	0.76
7	A"	758	725	239.35	6.26	0.75	0.86
8	A"	308	295	0.00	2.90	0.75	0.86
9	A"	202	193	0.08	2.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.133	0.522	0.000
F2	-1.250	1.262	0.000
Cl3	1.257	1.596	0.000
Br4	-0.133	-0.595	1.570
Br5	-0.133	-0.595	-1.570

	C1	F2	Cl3	Br4	Br5
C1		1.3393	1.7564	1.9272	1.9272
F2	1.3393		2.5288	2.6760	2.6760
Cl3	1.7564	2.5288		3.0326	3.0326
Br4	1.9272	2.6760	3.0326		3.1410
Br5	1.9272	2.6760	3.0326	3.1410

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.801	F2	C1	Br4	108.673
F2	C1	Br5	108.673	Cl3	C1	Br4	110.743
Cl3	C1	Br5	110.743	Br4	C1	Br5	109.156

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: B1B95/6-31+G**

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	-0.168
2	F	-0.104
3	Cl	0.161
4	Br	0.056
5	Br	0.056

	x	y	z	Total
	0.397	-0.415	0.000	0.574
CHELPG
AIM
ESP

	x	y	z
x	7.866	1.110	0.000
y	1.110	9.086	0.000
z	0.000	0.000	10.748

<r²>	335.595
(<r²>)^1/2	18.319

All results from a given calculation for CBr2ClF (dibromochlorofluoromethane)

using model chemistry: B1B95/6-31+G**

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)