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	hartrees
Energy at 0K	-7765.246835
Energy at 298.15K	-7765.256432
HF Energy	-7765.246835
Nuclear repulsion energy	796.446482

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3142	3094	4.76
2	A₁	512	505	0.41
3	A₁	213	209	0.00
4	E	1128	1111	33.39
4	E	1128	1111	33.44
5	E	577	568	132.37
5	E	577	568	132.23
6	E	146	143	0.13
6	E	146	143	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.522
H2	0.000	0.000	1.605
Br3	0.000	1.870	-0.045
Br4	1.619	-0.935	-0.045
Br5	-1.619	-0.935	-0.045

	C1	H2	Br3	Br4	Br5
C1		1.0834	1.9535	1.9535	1.9535
H2	1.0834		2.4936	2.4936	2.4936
Br3	1.9535	2.4936		3.2381	3.2381
Br4	1.9535	2.4936	3.2381		3.2381
Br5	1.9535	2.4936	3.2381	3.2381

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.864	H2	C1	Br4	106.864
H2	C1	Br5	106.864	Br3	C1	Br4	111.948
Br3	C1	Br5	111.948	Br4	C1	Br5	111.948

All results from a given calculation for CHBr₃ (bromoform)

using model chemistry: B97D3/aug-cc-pVTZ

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	-0.486
2	H	0.232
3	Br	0.085
4	Br	0.085
5	Br	0.085

	x	y	z	Total
	0.000	0.000	0.857	0.857
CHELPG
AIM
ESP

<r²>	408.920
(<r²>)^1/2	20.222

All results from a given calculation for CHBr3 (bromoform)

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

All results from a given calculation for CHBr₃ (bromoform)