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	hartrees
Energy at 0K	-8220.834643
Energy at 298.15K	-8220.843201
HF Energy	-8220.834643
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	763	730	109.44
2	A₁	342	328	0.00
3	A₁	217	208	0.19
4	E	711	680	103.58
4	E	711	680	104.00
5	E	222	212	0.07
5	E	222	212	0.07
6	E	145	139	0.02
6	E	145	139	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.294
Cl2	0.000	0.000	2.071
Br3	0.000	1.832	-0.352
Br4	1.587	-0.916	-0.352
Br5	-1.587	-0.916	-0.352

	C1	Cl2	Br3	Br4	Br5
C1		1.7772	1.9429	1.9429	1.9429
Cl2	1.7772		3.0378	3.0378	3.0378
Br3	1.9429	3.0378		3.1739	3.1739
Br4	1.9429	3.0378	3.1739		3.1739
Br5	1.9429	3.0378	3.1739	3.1739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Br3	109.412	Cl2	C1	Br4	109.412
Cl2	C1	Br5	109.412	Br3	C1	Br4	109.530
Br3	C1	Br5	109.530	Br4	C1	Br5	109.530

All results from a given calculation for CBr₃Cl (tribromochloromethane)

using model chemistry: wB97X-D/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	-1.573
2	Cl	0.220
3	Br	0.451
4	Br	0.451
5	Br	0.451

	x	y	z	Total
	0.000	0.000	-0.156	0.156
CHELPG
AIM
ESP

	x	y	z
x	13.667	0.000	0.000
y	0.000	13.667	0.001
z	0.000	0.001	12.404

<r²>	483.663
(<r²>)^1/2	21.992

All results from a given calculation for CBr3Cl (tribromochloromethane)

using model chemistry: wB97X-D/aug-cc-pVDZ

States and conformations

All results from a given calculation for CBr₃Cl (tribromochloromethane)