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	hartrees
Energy at 0K	-8220.931968
Energy at 298.15K	-8220.940496
HF Energy	-8220.931968
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	765	730	109.66
2	A₁	341	325	0.01
3	A₁	215	206	0.12
4	E	706	675	102.40
4	E	706	675	102.91
5	E	220	211	0.04
5	E	220	210	0.04
6	E	143	137	0.01
6	E	143	137	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.297
Cl2	0.000	0.000	2.059
Br3	0.000	1.828	-0.350
Br4	1.583	-0.914	-0.350
Br5	-1.583	-0.914	-0.350

	C1	Cl2	Br3	Br4	Br5
C1		1.7619	1.9396	1.9396	1.9396
Cl2	1.7619		3.0246	3.0246	3.0246
Br3	1.9396	3.0246		3.1667	3.1667
Br4	1.9396	3.0246	3.1667		3.1667
Br5	1.9396	3.0246	3.1667	3.1667

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Br3	109.506	Cl2	C1	Br4	109.506
Cl2	C1	Br5	109.506	Br3	C1	Br4	109.436
Br3	C1	Br5	109.436	Br4	C1	Br5	109.436

All results from a given calculation for CBr₃Cl (tribromochloromethane)

using model chemistry: wB97X-D/Def2TZVPP

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	-0.038
2	Cl	0.000
3	Br	0.013
4	Br	0.013
5	Br	0.013

	x	y	z	Total
	0.000	0.000	-0.088	0.088
CHELPG
AIM
ESP

	x	y	z
x	12.603	0.000	0.000
y	0.000	12.596	0.002
z	0.000	0.002	11.266

<r²>	480.921
(<r²>)^1/2	21.930

All results from a given calculation for CBr3Cl (tribromochloromethane)

using model chemistry: wB97X-D/Def2TZVPP

States and conformations

All results from a given calculation for CBr₃Cl (tribromochloromethane)