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	hartrees
Energy at 0K	-7765.099200
Energy at 298.15K	-7765.108772
HF Energy	-7765.099200
Nuclear repulsion energy	793.009267

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3151	3106	2.82
2	A₁	508	501	0.70
3	A₁	210	207	0.00
4	E	1130	1114	43.81
4	E	1130	1114	43.83
5	E	568	560	155.53
5	E	568	560	155.48
6	E	145	143	0.16
6	E	145	143	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.521
H2	0.000	0.000	1.606
Br3	0.000	1.878	-0.045
Br4	1.626	-0.939	-0.045
Br5	-1.626	-0.939	-0.045

	C1	H2	Br3	Br4	Br5
C1		1.0842	1.9615	1.9615	1.9615
H2	1.0842		2.5002	2.5002	2.5002
Br3	1.9615	2.5002		3.2526	3.2526
Br4	1.9615	2.5002	3.2526		3.2526
Br5	1.9615	2.5002	3.2526	3.2526

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.784	H2	C1	Br4	106.784
H2	C1	Br5	106.784	Br3	C1	Br4	112.020
Br3	C1	Br5	112.020	Br4	C1	Br5	112.020

All results from a given calculation for CHBr₃ (bromoform)

using model chemistry: B97D3/TZVP

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	-0.130
2	H	0.198
3	Br	-0.022
4	Br	-0.022
5	Br	-0.022

	x	y	z	Total
	0.000	0.000	0.952	0.952
CHELPG
AIM
ESP

	x	y	z
x	11.518	0.000	0.000
y	0.000	11.517	-0.000
z	0.000	-0.000	6.082

<r²>	412.162
(<r²>)^1/2	20.302

All results from a given calculation for CHBr3 (bromoform)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for CHBr₃ (bromoform)