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	hartrees
Energy at 0K	-8203.641326
Energy at 298.15K	-8203.649776
HF Energy	-8203.641326
Nuclear repulsion energy	1136.918274

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	740	726	159.02
2	A₁	338	332	0.16
3	A₁	214	210	0.11
4	E	657	644	147.61
4	E	657	644	147.63
5	E	218	213	0.18
5	E	218	213	0.18
6	E	144	142	0.01
6	E	144	142	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.309
Cl2	0.000	0.000	2.064
Br3	0.000	1.810	-0.352
Br4	1.568	-0.905	-0.352
Br5	-1.568	-0.905	-0.352

	C1	Cl2	Br3	Br4	Br5
C1		1.7549	1.9270	1.9270	1.9270
Cl2	1.7549		3.0185	3.0185	3.0185
Br3	1.9270	3.0185		3.1355	3.1355
Br4	1.9270	3.0185	3.1355		3.1355
Br5	1.9270	3.0185	3.1355	3.1355

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Br3	110.048	Cl2	C1	Br4	110.048
Cl2	C1	Br5	110.048	Br3	C1	Br4	108.889
Br3	C1	Br5	108.889	Br4	C1	Br5	108.889

All results from a given calculation for CBr₃Cl (tribromochloromethane)

using model chemistry: LSDA/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	-0.222
2	Cl	0.127
3	Br	0.032
4	Br	0.032
5	Br	0.032

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

<r²>	473.973
(<r²>)^1/2	21.771

All results from a given calculation for CBr3Cl (tribromochloromethane)

using model chemistry: LSDA/6-31G**

States and conformations

All results from a given calculation for CBr₃Cl (tribromochloromethane)