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	hartrees
Energy at 0K	-8219.192786
Energy at 298.15K	-8219.201252
HF Energy	-8218.967574
Nuclear repulsion energy	1116.672868

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	742	711	135.98
2	A₁	330	316	0.04
3	A₁	212	203	0.19
4	E	671	643	130.34
4	E	671	643	130.30
5	E	218	208	0.19
5	E	218	208	0.19
6	E	143	137	0.02
6	E	143	137	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.301
Cl2	0.000	0.000	2.083
Br3	0.000	1.848	-0.354
Br4	1.600	-0.924	-0.354
Br5	-1.600	-0.924	-0.354

	C1	Cl2	Br3	Br4	Br5
C1		1.7823	1.9608	1.9608	1.9608
Cl2	1.7823		3.0590	3.0590	3.0590
Br3	1.9608	3.0590		3.2008	3.2008
Br4	1.9608	3.0590	3.2008		3.2008
Br5	1.9608	3.0590	3.2008	3.2008

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Br3	109.526	Cl2	C1	Br4	109.526
Cl2	C1	Br5	109.526	Br3	C1	Br4	109.416
Br3	C1	Br5	109.416	Br4	C1	Br5	109.416

All results from a given calculation for CBr₃Cl (tribromochloromethane)

using model chemistry: B2PLYP/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	-0.350
2	Cl	0.064
3	Br	0.095
4	Br	0.095
5	Br	0.095

	x	y	z	Total
	0.000	0.000	-0.152	0.152
CHELPG
AIM
ESP

<r²>	490.529
(<r²>)^1/2	22.148

All results from a given calculation for CBr3Cl (tribromochloromethane)

using model chemistry: B2PLYP/cc-pVDZ

States and conformations

All results from a given calculation for CBr₃Cl (tribromochloromethane)