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	hartrees
Energy at 0K	-7761.058990
Energy at 298.15K	-7761.068686
HF Energy	-7761.058990
Nuclear repulsion energy	803.151869

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3188	3087	4.22
2	A₁	531	515	0.69
3	A₁	219	212	0.01
4	E	1156	1119	34.71
4	E	1156	1119	34.63
5	E	634	614	121.05
5	E	634	614	120.92
6	E	147	142	0.01
6	E	147	142	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.518
H2	0.000	0.000	1.598
Br3	0.000	1.859	-0.045
Br4	1.610	-0.929	-0.045
Br5	-1.610	-0.929	-0.045

	C1	H2	Br3	Br4	Br5
C1		1.0804	1.9420	1.9420	1.9420
H2	1.0804		2.4809	2.4809	2.4809
Br3	1.9420	2.4809		3.2194	3.2194
Br4	1.9420	2.4809	3.2194		3.2194
Br5	1.9420	2.4809	3.2194	3.2194

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.845	H2	C1	Br4	106.845
H2	C1	Br5	106.845	Br3	C1	Br4	111.965
Br3	C1	Br5	111.965	Br4	C1	Br5	111.965

All results from a given calculation for CHBr₃ (bromoform)

using model chemistry: TPSSh/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	-0.115
2	H	0.152
3	Br	-0.013
4	Br	-0.013
5	Br	-0.013

	x	y	z	Total
	0.000	0.000	0.937	0.937
CHELPG
AIM
ESP

<r²>	402.590
(<r²>)^1/2	20.065

All results from a given calculation for CHBr3 (bromoform)

using model chemistry: TPSSh/cc-pVTZ

States and conformations

All results from a given calculation for CHBr₃ (bromoform)