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	hartrees
Energy at 0K	-7752.698827
Energy at 298.15K	-7752.708595
Nuclear repulsion energy	809.119893

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3242	3083	2.81
2	A₁	546	519	0.89
3	A₁	228	217	0.00
4	E	1175	1118	35.88
4	E	1175	1118	35.89
5	E	663	631	109.57
5	E	663	631	109.53
6	E	160	152	0.00
6	E	160	152	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.537
H2	0.000	0.000	1.621
Br3	0.000	1.838	-0.046
Br4	1.592	-0.919	-0.046
Br5	-1.592	-0.919	-0.046

	C1	H2	Br3	Br4	Br5
C1		1.0842	1.9281	1.9281	1.9281
H2	1.0842		2.4813	2.4813	2.4813
Br3	1.9281	2.4813		3.1834	3.1834
Br4	1.9281	2.4813	3.1834		3.1834
Br5	1.9281	2.4813	3.1834	3.1834

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.590	H2	C1	Br4	107.590
H2	C1	Br5	107.590	Br3	C1	Br4	111.285
Br3	C1	Br5	111.285	Br4	C1	Br5	111.285

All results from a given calculation for CHBr₃ (bromoform)

using model chemistry: HSEh1PBE/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	-0.254
2	H	0.289
3	Br	-0.012
4	Br	-0.012
5	Br	-0.012

	x	y	z	Total
	0.000	0.000	0.955	0.955
CHELPG
AIM
ESP

	x	y	z
x	10.259	0.000	0.000
y	0.000	10.258	-0.000
z	0.000	-0.000	6.069

<r²>	396.328
(<r²>)^1/2	19.908

All results from a given calculation for CHBr3 (bromoform)

using model chemistry: HSEh1PBE/6-31G*

States and conformations

All results from a given calculation for CHBr₃ (bromoform)