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	hartrees
Energy at 0K	-7719.021965
Energy at 298.15K	-7719.031888
Nuclear repulsion energy	808.481908

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3385	3056	2.15
2	A₁	578	522	1.22
3	A₁	234	211	0.01
4	E	1308	1180	32.78
4	E	1308	1180	32.78
5	E	755	682	70.33
5	E	755	682	70.33
6	E	164	148	0.06
6	E	164	148	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.545
H2	0.000	0.000	1.616
Br3	0.000	1.839	-0.047
Br4	1.593	-0.920	-0.047
Br5	-1.593	-0.920	-0.047

	C1	H2	Br3	Br4	Br5
C1		1.0704	1.9319	1.9319	1.9319
H2	1.0704		2.4790	2.4790	2.4790
Br3	1.9319	2.4790		3.1853	3.1853
Br4	1.9319	2.4790	3.1853		3.1853
Br5	1.9319	2.4790	3.1853	3.1853

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.843	H2	C1	Br4	107.843
H2	C1	Br5	107.843	Br3	C1	Br4	111.049
Br3	C1	Br5	111.049	Br4	C1	Br5	111.049

All results from a given calculation for CHBr₃ (bromoform)

using model chemistry: HF/3-21G*

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	-0.379
2	H	0.331
3	Br	0.016
4	Br	0.016
5	Br	0.016

	x	y	z	Total
	0.000	0.000	1.030	1.030
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CHBr3 (bromoform)

using model chemistry: HF/3-21G*

States and conformations

All results from a given calculation for CHBr₃ (bromoform)