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	hartrees
Energy at 0K	-46.342264
Energy at 298.15K	-46.351877
Nuclear repulsion energy	51.846314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3207	3106	0.12
2	A₁	507	491	0.78
3	A₁	212	205	0.02
4	E	1157	1121	50.95
4	E	1157	1121	50.95
5	E	608	589	161.86
5	E	608	589	161.81
6	E	145	141	0.03
6	E	145	141	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.533
H2	0.000	0.000	1.627
Br3	0.000	1.920	-0.046
Br4	1.663	-0.960	-0.046
Br5	-1.663	-0.960	-0.046

	C1	H2	Br3	Br4	Br5
C1		1.0940	2.0057	2.0057	2.0057
H2	1.0940		2.5468	2.5468	2.5468
Br3	2.0057	2.5468		3.3263	3.3263
Br4	2.0057	2.5468	3.3263		3.3263
Br5	2.0057	2.5468	3.3263	3.3263

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.772	H2	C1	Br4	106.772
H2	C1	Br5	106.772	Br3	C1	Br4	112.031
Br3	C1	Br5	112.031	Br4	C1	Br5	112.031

All results from a given calculation for CHBr₃ (bromoform)

using model chemistry: B3LYP/CEP-31G

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	-0.724
2	H	0.299
3	Br	0.142
4	Br	0.142
5	Br	0.142

	x	y	z	Total
	0.000	0.000	1.204	1.204
CHELPG
AIM
ESP

	x	y	z
x	9.768	0.000	0.000
y	0.000	9.770	-0.000
z	0.000	-0.000	3.189

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CHBr3 (bromoform)

using model chemistry: B3LYP/CEP-31G

States and conformations

All results from a given calculation for CHBr₃ (bromoform)