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	hartrees
Energy at 0K	-5740.945301
Energy at 298.15K
HF Energy	-5740.945301
Nuclear repulsion energy	713.933667

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'	1041	1001	176.32	0.89	0.69	0.82
2	A'	708	681	284.26	3.38	0.60	0.75
3	A'	414	398	3.36	10.63	0.05	0.10
4	A'	316	304	0.31	5.59	0.69	0.81
5	A'	251	241	0.04	11.71	0.28	0.44
6	A'	153	147	0.00	6.03	0.69	0.82
7	A"	691	665	282.17	2.24	0.75	0.86
8	A"	285	274	0.03	5.12	0.75	0.86
9	A"	183	176	0.00	6.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.140	0.512	0.000
F2	-1.294	1.285	0.000
Cl3	1.309	1.655	0.000
Br4	-0.140	-0.611	1.626
Br5	-0.140	-0.611	-1.626

	C1	F2	Cl3	Br4	Br5
C1		1.3893	1.8448	1.9763	1.9763
F2	1.3893		2.6284	2.7519	2.7519
Cl3	1.8448	2.6284		3.1426	3.1426
Br4	1.9763	2.7519	3.1426		3.2524
Br5	1.9763	2.7519	3.1426	3.2524

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	107.890	F2	C1	Br4	108.441
F2	C1	Br5	108.441	Cl3	C1	Br4	110.614
Cl3	C1	Br5	110.614	Br4	C1	Br5	110.744

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: TPSSh/6-31G

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	-0.357
2	F	-0.213
3	Cl	0.157
4	Br	0.206
5	Br	0.206

	x	y	z	Total
	0.291	-0.798	0.000	0.850
CHELPG
AIM
ESP

	x	y	z
x	4.970	1.579	0.000
y	1.579	6.839	0.000
z	0.000	0.000	8.870

<r²>	357.004
(<r²>)^1/2	18.895

All results from a given calculation for CBr2ClF (dibromochlorofluoromethane)

using model chemistry: TPSSh/6-31G

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)