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	hartrees
Energy at 0K	-7753.808185
Energy at 298.15K	-7753.817882
Nuclear repulsion energy	800.424536

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3215	3089	2.30
2	A₁	527	507	1.04
3	A₁	221	212	0.00
4	E	1157	1112	37.89
4	E	1157	1112	37.87
5	E	626	601	116.30
5	E	626	601	116.25
6	E	156	150	0.01
6	E	156	150	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.538
H2	0.000	0.000	1.621
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		1.0833	1.9481	1.9481	1.9481
H2	1.0833		2.4967	2.4967	2.4967
Br3	1.9481	2.4967		3.2192	3.2192
Br4	1.9481	2.4967	3.2192		3.2192
Br5	1.9481	2.4967	3.2192	3.2192

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.437	H2	C1	Br4	107.437
H2	C1	Br5	107.437	Br3	C1	Br4	111.427
Br3	C1	Br5	111.427	Br4	C1	Br5	111.427

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	-0.143
2	H	0.221
3	Br	-0.026
4	Br	-0.026
5	Br	-0.026

	x	y	z	Total
	0.000	0.000	0.951	0.951
CHELPG
AIM
ESP

	x	y	z
x	10.453	0.000	0.000
y	0.000	10.453	-0.000
z	0.000	-0.000	6.069

<r²>	404.386
(<r²>)^1/2	20.109

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)