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	hartrees
Energy at 0K	-5747.155090
Energy at 298.15K
HF Energy	-5747.155090
Nuclear repulsion energy	736.468518

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'	1114	1114	159.00	4.47	0.34	0.50
2	A'	812	812	215.36	5.72	0.53	0.69
3	A'	475	475	0.90	11.13	0.01	0.03
4	A'	346	346	0.03	2.94	0.32	0.49
5	A'	269	269	0.39	6.21	0.12	0.21
6	A'	159	159	0.05	1.97	0.57	0.72
7	A"	754	754	222.90	8.12	0.75	0.86
8	A"	313	313	0.07	2.27	0.75	0.86
9	A"	195	195	0.08	1.70	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.131	0.512	0.000
F2	-1.243	1.238	0.000
Cl3	1.243	1.593	0.000
Br4	-0.131	-0.590	1.589
Br5	-0.131	-0.590	-1.589

	C1	F2	Cl3	Br4	Br5
C1		1.3283	1.7485	1.9337	1.9337
F2	1.3283		2.5120	2.6652	2.6652
Cl3	1.7485	2.5120		3.0298	3.0298
Br4	1.9337	2.6652	3.0298		3.1779
Br5	1.9337	2.6652	3.0298	3.1779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.690	F2	C1	Br4	108.140
F2	C1	Br5	108.140	Cl3	C1	Br4	110.635
Cl3	C1	Br5	110.635	Br4	C1	Br5	110.512

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: B1B95/6-311+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	0.227
2	F	-0.192
3	Cl	-0.148
4	Br	0.056
5	Br	0.056

	x	y	z	Total
	0.347	-0.268	0.000	0.439
CHELPG
AIM
ESP

	x	y	z
x	8.984	1.118	0.000
y	1.118	10.290	0.000
z	0.000	0.000	12.103

<r²>	337.601
(<r²>)^1/2	18.374

All results from a given calculation for CBr2ClF (dibromochlorofluoromethane)

using model chemistry: B1B95/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)