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	hartrees
Energy at 0K	-8219.553769
Energy at 298.15K	-8219.562265
HF Energy	-8219.553769
Nuclear repulsion energy	1126.626074

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	753	722	157.18
2	A₁	339	325	0.03
3	A₁	215	206	0.22
4	E	680	652	138.16
4	E	680	652	138.09
5	E	222	212	0.32
5	E	222	212	0.32
6	E	144	138	0.01
6	E	144	138	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.301
Cl2	0.000	0.000	2.065
Br3	0.000	1.832	-0.352
Br4	1.586	-0.916	-0.352
Br5	-1.586	-0.916	-0.352

	C1	Cl2	Br3	Br4	Br5
C1		1.7636	1.9444	1.9444	1.9444
Cl2	1.7636		3.0321	3.0321	3.0321
Br3	1.9444	3.0321		3.1723	3.1723
Br4	1.9444	3.0321	3.1723		3.1723
Br5	1.9444	3.0321	3.1723	3.1723

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Br3	109.619	Cl2	C1	Br4	109.619
Cl2	C1	Br5	109.619	Br3	C1	Br4	109.323
Br3	C1	Br5	109.323	Br4	C1	Br5	109.323

All results from a given calculation for CBr₃Cl (tribromochloromethane)

using model chemistry: PBE1PBE/6-311G*

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	-0.525
2	Cl	0.109
3	Br	0.139
4	Br	0.139
5	Br	0.139

	x	y	z	Total
	0.000	0.000	-0.195	0.195
CHELPG
AIM
ESP

<r²>	482.962
(<r²>)^1/2	21.976

All results from a given calculation for CBr3Cl (tribromochloromethane)

using model chemistry: PBE1PBE/6-311G*

States and conformations

All results from a given calculation for CBr₃Cl (tribromochloromethane)