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	hartrees
Energy at 0K	-7755.538276
Energy at 298.15K	-7755.548218
Nuclear repulsion energy	807.083946

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3395	3070	0.80
2	A₁	577	522	1.21
3	A₁	242	219	0.01
4	E	1315	1189	52.63
4	E	1315	1189	52.63
5	E	744	673	97.95
5	E	744	673	97.95
6	E	168	152	0.02
6	E	168	152	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.515
H2	0.000	0.000	1.584
Br3	0.000	1.845	-0.045
Br4	1.598	-0.922	-0.045
Br5	-1.598	-0.922	-0.045

	C1	H2	Br3	Br4	Br5
C1		1.0694	1.9278	1.9278	1.9278
H2	1.0694		2.4610	2.4610	2.4610
Br3	1.9278	2.4610		3.1954	3.1954
Br4	1.9278	2.4610	3.1954		3.1954
Br5	1.9278	2.4610	3.1954	3.1954

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.868	H2	C1	Br4	106.868
H2	C1	Br5	106.868	Br3	C1	Br4	111.944
Br3	C1	Br5	111.944	Br4	C1	Br5	111.944

All results from a given calculation for CHBr₃ (bromoform)

using model chemistry: HF/6-311G*

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	-0.500
2	H	0.338
3	Br	0.054
4	Br	0.054
5	Br	0.054

	x	y	z	Total
	0.000	0.000	1.096	1.096
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CHBr3 (bromoform)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for CHBr₃ (bromoform)