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	hartrees
Energy at 0K	-7753.948960
Energy at 298.15K	-7753.958721
HF Energy	-7753.948960
Nuclear repulsion energy	813.775044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3177	3066	3.34
2	A₁	548	529	0.80
3	A₁	227	219	0.02
4	E	1163	1122	28.14
4	E	1163	1122	28.05
5	E	662	639	102.68
5	E	662	639	102.49
6	E	154	148	0.00
6	E	154	148	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.533
H2	0.000	0.000	1.616
Br3	0.000	1.823	-0.046
Br4	1.579	-0.912	-0.046
Br5	-1.579	-0.912	-0.046

	C1	H2	Br3	Br4	Br5
C1		1.0836	1.9130	1.9130	1.9130
H2	1.0836		2.4673	2.4673	2.4673
Br3	1.9130	2.4673		3.1584	3.1584
Br4	1.9130	2.4673	3.1584		3.1584
Br5	1.9130	2.4673	3.1584	3.1584

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.599	H2	C1	Br4	107.599
H2	C1	Br5	107.599	Br3	C1	Br4	111.277
Br3	C1	Br5	111.277	Br4	C1	Br5	111.277

All results from a given calculation for CHBr₃ (bromoform)

using model chemistry: TPSSh/6-31G(2df,p)

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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All results from a given calculation for CHBr3 (bromoform)

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

All results from a given calculation for CHBr₃ (bromoform)