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	hartrees
Energy at 0K	-7753.806440
Energy at 298.15K	-7753.816130
Nuclear repulsion energy	800.354268

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3227	3099	1.98
2	A₁	528	507	1.00
3	A₁	220	212	0.00
4	E	1165	1118	39.86
4	E	1165	1118	39.84
5	E	626	601	116.26
5	E	626	601	116.22
6	E	156	150	0.01
6	E	156	150	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.539
H2	0.000	0.000	1.622
Br3	0.000	1.859	-0.046
Br4	1.610	-0.929	-0.046
Br5	-1.610	-0.929	-0.046

	C1	H2	Br3	Br4	Br5
C1		1.0830	1.9487	1.9487	1.9487
H2	1.0830		2.4978	2.4978	2.4978
Br3	1.9487	2.4978		3.2192	3.2192
Br4	1.9487	2.4978	3.2192		3.2192
Br5	1.9487	2.4978	3.2192	3.2192

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.491	H2	C1	Br4	107.491
H2	C1	Br5	107.491	Br3	C1	Br4	111.377
Br3	C1	Br5	111.377	Br4	C1	Br5	111.377

All results from a given calculation for CHBr₃ (bromoform)

using model chemistry: B3LYP/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	-0.193
2	H	0.260
3	Br	-0.022
4	Br	-0.022
5	Br	-0.022

	x	y	z	Total
	0.000	0.000	0.954	0.954
CHELPG
AIM
ESP

	x	y	z
x	10.443	0.000	0.000
y	0.000	10.443	-0.000
z	0.000	-0.000	6.057

<r²>	404.413
(<r²>)^1/2	20.110

All results from a given calculation for CHBr3 (bromoform)

using model chemistry: B3LYP/6-31G*

States and conformations

All results from a given calculation for CHBr₃ (bromoform)