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	hartrees
Energy at 0K	-3990.335440
Energy at 298.15K	-3990.338388
HF Energy	-3990.335440
Nuclear repulsion energy	604.987123

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	635	631	197.60
2	A₁	394	392	0.06
3	A₁	231	229	1.28
4	E	670	666	190.64
4	E	670	666	190.61
5	E	278	276	0.56
5	E	278	276	0.56
6	E	185	184	0.01
6	E	185	184	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.435
Br2	0.000	0.000	1.560
Cl3	0.000	1.712	-1.019
Cl4	1.483	-0.856	-1.019
Cl5	-1.483	-0.856	-1.019

	C1	Br2	Cl3	Cl4	Cl5
C1		1.9953	1.8092	1.8092	1.8092
Br2	1.9953		3.0959	3.0959	3.0959
Cl3	1.8092	3.0959		2.9660	2.9660
Cl4	1.8092	3.0959	2.9660		2.9660
Cl5	1.8092	3.0959	2.9660	2.9660

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	108.828	Br2	C1	Cl4	108.828
Br2	C1	Cl5	108.828	Cl3	C1	Cl4	110.107
Cl3	C1	Cl5	110.107	Cl4	C1	Cl5	110.107

All results from a given calculation for CBrCl₃ (Methane, bromotrichloro-)

using model chemistry: BLYP/6-31+G**

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	-0.476
2	Br	0.071
3	Cl	0.135
4	Cl	0.135
5	Cl	0.135

	x	y	z	Total
	0.000	0.000	0.121	0.121
CHELPG
AIM
ESP

<r²>	327.155
(<r²>)^1/2	18.087

All results from a given calculation for CBrCl3 (Methane, bromotrichloro-)

using model chemistry: BLYP/6-31+G**

States and conformations

All results from a given calculation for CBrCl₃ (Methane, bromotrichloro-)