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	hartrees
Energy at 0K	-7761.096524
Energy at 298.15K	-7761.106267
Nuclear repulsion energy	802.754458

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3194	3082	3.54
2	A₁	538	519	0.68
3	A₁	225	217	0.00
4	E	1150	1110	33.31
4	E	1150	1110	33.32
5	E	652	630	123.20
5	E	652	630	123.18
6	E	153	148	0.01
6	E	153	148	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.520
H2	0.000	0.000	1.614
Br3	0.000	1.854	-0.045
Br4	1.606	-0.927	-0.045
Br5	-1.606	-0.927	-0.045

	C1	H2	Br3	Br4	Br5
C1		1.0932	1.9385	1.9385	1.9385
H2	1.0932		2.4879	2.4879	2.4879
Br3	1.9385	2.4879		3.2116	3.2116
Br4	1.9385	2.4879	3.2116		3.2116
Br5	1.9385	2.4879	3.2116	3.2116

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.964	H2	C1	Br4	106.964
H2	C1	Br5	106.964	Br3	C1	Br4	111.858
Br3	C1	Br5	111.858	Br4	C1	Br5	111.858

All results from a given calculation for CHBr₃ (bromoform)

using model chemistry: B3PW91/cc-pVDZ

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	-0.296
2	H	0.176
3	Br	0.040
4	Br	0.040
5	Br	0.040

	x	y	z	Total
	0.000	0.000	0.933	0.933
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CHBr3 (bromoform)

using model chemistry: B3PW91/cc-pVDZ

States and conformations

All results from a given calculation for CHBr₃ (bromoform)