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	hartrees
Energy at 0K	-8130.942105
Energy at 298.15K	-8130.950634
HF Energy	-8130.942105
Nuclear repulsion energy	1113.842834

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	844	844	137.90
2	A₁	365	365	0.01
3	A₁	248	248	0.10
4	E	864	864	124.74
4	E	864	864	125.51
5	E	226	226	1.46
5	E	226	226	1.48
6	E	158	158	0.13
6	E	158	158	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.246
Cl2	0.000	0.000	2.109
Br3	0.000	1.850	-0.356
Br4	1.602	-0.925	-0.356
Br5	-1.602	-0.925	-0.356

	C1	Cl2	Br3	Br4	Br5
C1		1.8625	1.9454	1.9454	1.9454
Cl2	1.8625		3.0816	3.0816	3.0816
Br3	1.9454	3.0816		3.2040	3.2040
Br4	1.9454	3.0816	3.2040		3.2040
Br5	1.9454	3.0816	3.2040	3.2040

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Br3	108.028	Cl2	C1	Br4	108.028
Cl2	C1	Br5	108.028	Br3	C1	Br4	110.875
Br3	C1	Br5	110.875	Br4	C1	Br5	110.875

All results from a given calculation for CBr₃Cl (tribromochloromethane)

using model chemistry: M06-2X/STO-3G

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	-0.111
2	Cl	-0.120
3	Br	0.077
4	Br	0.077
5	Br	0.077

	x	y	z	Total
	0.000	0.000	-1.295	1.295
CHELPG
AIM
ESP

<r²>	490.469
(<r²>)^1/2	22.147

All results from a given calculation for CBr3Cl (tribromochloromethane)

using model chemistry: M06-2X/STO-3G

States and conformations

All results from a given calculation for CBr₃Cl (tribromochloromethane)