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	hartrees
Energy at 0K	-8212.136858
Energy at 298.15K	-8212.145364
HF Energy	-8212.136858
Nuclear repulsion energy	1129.672931

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	764	727	140.64
2	A₁	340	323	0.07
3	A₁	217	207	0.11
4	E	680	647	128.11
4	E	680	647	128.10
5	E	222	211	0.12
5	E	222	211	0.12
6	E	149	141	0.01
6	E	149	141	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.309
Cl2	0.000	0.000	2.071
Br3	0.000	1.823	-0.353
Br4	1.579	-0.912	-0.353
Br5	-1.579	-0.912	-0.353

	C1	Cl2	Br3	Br4	Br5
C1		1.7620	1.9399	1.9399	1.9399
Cl2	1.7620		3.0333	3.0333	3.0333
Br3	1.9399	3.0333		3.1582	3.1582
Br4	1.9399	3.0333	3.1582		3.1582
Br5	1.9399	3.0333	3.1582	3.1582

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Br3	109.958	Cl2	C1	Br4	109.958
Cl2	C1	Br5	109.958	Br3	C1	Br4	108.980
Br3	C1	Br5	108.980	Br4	C1	Br5	108.980

All results from a given calculation for CBr₃Cl (tribromochloromethane)

using model chemistry: HSEh1PBE/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	-0.232
2	Cl	0.124
3	Br	0.036
4	Br	0.036
5	Br	0.036

	x	y	z	Total
	0.000	0.000	-0.166	0.166
CHELPG
AIM
ESP

<r²>	479.781
(<r²>)^1/2	21.904

All results from a given calculation for CBr3Cl (tribromochloromethane)

using model chemistry: HSEh1PBE/6-31G*

States and conformations

All results from a given calculation for CBr₃Cl (tribromochloromethane)