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	hartrees
Energy at 0K	-8219.531445
Energy at 298.15K	-8219.539740
HF Energy	-8219.531445
Nuclear repulsion energy	1117.322019

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	688	683	132.89
2	A₁	318	316	0.08
3	A₁	201	200	0.43
4	E	613	609	132.23
4	E	613	609	132.20
5	E	206	205	0.69
5	E	206	205	0.69
6	E	133	133	0.02
6	E	133	133	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.306
Cl2	0.000	0.000	2.079
Br3	0.000	1.847	-0.354
Br4	1.600	-0.924	-0.354
Br5	-1.600	-0.924	-0.354

	C1	Cl2	Br3	Br4	Br5
C1		1.7731	1.9618	1.9618	1.9618
Cl2	1.7731		3.0550	3.0550	3.0550
Br3	1.9618	3.0550		3.1999	3.1999
Br4	1.9618	3.0550	3.1999		3.1999
Br5	1.9618	3.0550	3.1999	3.1999

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Br3	109.660	Cl2	C1	Br4	109.660
Cl2	C1	Br5	109.660	Br3	C1	Br4	109.282
Br3	C1	Br5	109.282	Br4	C1	Br5	109.282

All results from a given calculation for CBr₃Cl (tribromochloromethane)

using model chemistry: PBEPBE/aug-cc-pVTZ

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	-0.191
2	Cl	-0.082
3	Br	0.091
4	Br	0.091
5	Br	0.091

	x	y	z	Total
	0.000	0.000	-0.032	0.032
CHELPG
AIM
ESP

<r²>	490.313
(<r²>)^1/2	22.143

All results from a given calculation for CBr3Cl (tribromochloromethane)

using model chemistry: PBEPBE/aug-cc-pVTZ

States and conformations

All results from a given calculation for CBr₃Cl (tribromochloromethane)