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	hartrees
Energy at 0K	-8219.226552
Energy at 298.15K	-8219.235027
HF Energy	-8218.982078
Nuclear repulsion energy	1118.333358

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	736	736	112.39
2	A₁	331	331	0.00
3	A₁	213	213	0.27
4	E	671	671	108.32
4	E	671	671	108.43
5	E	218	218	0.21
5	E	218	218	0.21
6	E	143	143	0.02
6	E	143	143	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.299
Cl2	0.000	0.000	2.082
Br3	0.000	1.845	-0.354
Br4	1.598	-0.922	-0.354
Br5	-1.598	-0.922	-0.354

	C1	Cl2	Br3	Br4	Br5
C1		1.7830	1.9571	1.9571	1.9571
Cl2	1.7830		3.0561	3.0561	3.0561
Br3	1.9571	3.0561		3.1952	3.1952
Br4	1.9571	3.0561	3.1952		3.1952
Br5	1.9571	3.0561	3.1952	3.1952

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Br3	109.508	Cl2	C1	Br4	109.508
Cl2	C1	Br5	109.508	Br3	C1	Br4	109.434
Br3	C1	Br5	109.434	Br4	C1	Br5	109.434

All results from a given calculation for CBr₃Cl (tribromochloromethane)

using model chemistry: B2PLYP/aug-cc-pVDZ

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	-1.459
2	Cl	0.192
3	Br	0.422
4	Br	0.422
5	Br	0.422

	x	y	z	Total
	0.000	0.000	-0.121	0.121
CHELPG
AIM
ESP

<r²>	489.902
(<r²>)^1/2	22.134

All results from a given calculation for CBr3Cl (tribromochloromethane)

using model chemistry: B2PLYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for CBr₃Cl (tribromochloromethane)