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	hartrees
Energy at 0K	-7754.317927
Energy at 298.15K	-7754.327544
Nuclear repulsion energy	800.365276

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3107	3090	2.13
2	A₁	518	515	0.70
3	A₁	215	214	0.00
4	E	1124	1118	28.84
4	E	1124	1118	28.80
5	E	592	589	115.09
5	E	592	589	114.97
6	E	147	147	0.03
6	E	147	147	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.534
H2	0.000	0.000	1.623
Br3	0.000	1.859	-0.046
Br4	1.610	-0.929	-0.046
Br5	-1.610	-0.929	-0.046

	C1	H2	Br3	Br4	Br5
C1		1.0898	1.9472	1.9472	1.9472
H2	1.0898		2.4984	2.4984	2.4984
Br3	1.9472	2.4984		3.2198	3.2198
Br4	1.9472	2.4984	3.2198		3.2198
Br5	1.9472	2.4984	3.2198	3.2198

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.314	H2	C1	Br4	107.314
H2	C1	Br5	107.314	Br3	C1	Br4	111.539
Br3	C1	Br5	111.539	Br4	C1	Br5	111.539

All results from a given calculation for CHBr₃ (bromoform)

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	-0.451
2	H	0.192
3	Br	0.086
4	Br	0.086
5	Br	0.086

	x	y	z	Total
	0.000	0.000	0.841	0.841
CHELPG
AIM
ESP

	x	y	z
x	12.178	0.000	0.000
y	0.000	12.176	-0.001
z	0.000	-0.001	7.664

<r²>	404.543
(<r²>)^1/2	20.113

All results from a given calculation for CHBr3 (bromoform)

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

States and conformations

All results from a given calculation for CHBr₃ (bromoform)