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	hartrees
Energy at 0K	-8213.427933
Energy at 298.15K	-8213.436490
HF Energy	-8213.427933
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	775	735	125.83
2	A₁	344	326	0.01
3	A₁	220	209	0.07
4	E	710	674	113.52
4	E	710	674	113.94
5	E	224	213	0.01
5	E	224	213	0.01
6	E	151	143	0.01
6	E	150	143	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.305
Cl2	0.000	0.000	2.074
Br3	0.000	1.824	-0.353
Br4	1.580	-0.912	-0.353
Br5	-1.580	-0.912	-0.353

	C1	Cl2	Br3	Br4	Br5
C1		1.7696	1.9391	1.9391	1.9391
Cl2	1.7696		3.0366	3.0366	3.0366
Br3	1.9391	3.0366		3.1593	3.1593
Br4	1.9391	3.0366	3.1593		3.1593
Br5	1.9391	3.0366	3.1593	3.1593

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Br3	109.842	Cl2	C1	Br4	109.842
Cl2	C1	Br5	109.842	Br3	C1	Br4	109.098
Br3	C1	Br5	109.098	Br4	C1	Br5	109.098

All results from a given calculation for CBr₃Cl (tribromochloromethane)

using model chemistry: wB97X-D/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	-0.190
2	Cl	0.105
3	Br	0.028
4	Br	0.028
5	Br	0.028

	x	y	z	Total
	0.000	0.000	-0.234	0.234
CHELPG
AIM
ESP

	x	y	z
x	10.661	0.000	0.000
y	0.000	10.662	-0.000
z	0.000	-0.000	9.639

<r²>	480.266
(<r²>)^1/2	21.915

All results from a given calculation for CBr3Cl (tribromochloromethane)

using model chemistry: wB97X-D/6-31G*

States and conformations

All results from a given calculation for CBr₃Cl (tribromochloromethane)