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	hartrees
Energy at 0K	-46.343887
Energy at 298.15K	-46.353527
Nuclear repulsion energy	51.904422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3168	3087	0.64
2	A₁	507	494	0.62
3	A₁	212	206	0.01
4	E	1163	1134	48.94
4	E	1163	1134	48.94
5	E	608	592	161.46
5	E	608	592	161.41
6	E	145	142	0.03
6	E	145	142	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.531
H2	0.000	0.000	1.618
Br3	0.000	1.919	-0.046
Br4	1.662	-0.960	-0.046
Br5	-1.662	-0.960	-0.046

	C1	H2	Br3	Br4	Br5
C1		1.0871	2.0040	2.0040	2.0040
H2	1.0871		2.5403	2.5403	2.5403
Br3	2.0040	2.5403		3.3240	3.3240
Br4	2.0040	2.5403	3.3240		3.3240
Br5	2.0040	2.5403	3.3240	3.3240

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.737	H2	C1	Br4	106.737
H2	C1	Br5	106.737	Br3	C1	Br4	112.061
Br3	C1	Br5	112.061	Br4	C1	Br5	112.061

All results from a given calculation for CHBr₃ (bromoform)

using model chemistry: B3LYP/CEP-121G

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	-0.811
2	H	0.288
3	Br	0.174
4	Br	0.174
5	Br	0.174

	x	y	z	Total
	0.000	0.000	1.218	1.218
CHELPG
AIM
ESP

	x	y	z
x	9.772	0.000	0.000
y	0.000	9.774	-0.000
z	0.000	-0.000	3.310

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CHBr3 (bromoform)

using model chemistry: B3LYP/CEP-121G

States and conformations

All results from a given calculation for CHBr₃ (bromoform)