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	hartrees
Energy at 0K	-7723.834017
Energy at 298.15K	-7723.843597
Nuclear repulsion energy	773.342341

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3154	3136	0.02
2	A₁	490	487	0.81
3	A₁	206	204	0.00
4	E	1143	1136	33.69
4	E	1143	1136	33.69
5	E	602	599	157.57
5	E	602	599	157.59
6	E	142	141	0.02
6	E	142	141	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.522
H2	0.000	0.000	1.611
Br3	0.000	1.927	-0.045
Br4	1.669	-0.964	-0.045
Br5	-1.669	-0.964	-0.045

	C1	H2	Br3	Br4	Br5
C1		1.0888	2.0090	2.0090	2.0090
H2	1.0888		2.5412	2.5412	2.5412
Br3	2.0090	2.5412		3.3379	3.3379
Br4	2.0090	2.5412	3.3379		3.3379
Br5	2.0090	2.5412	3.3379	3.3379

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.411	H2	C1	Br4	106.411
H2	C1	Br5	106.411	Br3	C1	Br4	112.350
Br3	C1	Br5	112.350	Br4	C1	Br5	112.350

All results from a given calculation for CHBr₃ (bromoform)

using model chemistry: BLYP/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	-0.791
2	H	0.324
3	Br	0.156
4	Br	0.156
5	Br	0.156

	x	y	z	Total
	0.000	0.000	1.054	1.054
CHELPG
AIM
ESP

	x	y	z
x	9.226	0.000	0.000
y	0.000	9.226	-0.000
z	0.000	-0.000	3.156

<r²>	431.601
(<r²>)^1/2	20.775

All results from a given calculation for CHBr3 (bromoform)

using model chemistry: BLYP/3-21G

States and conformations

All results from a given calculation for CHBr₃ (bromoform)