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	hartrees
Energy at 0K	-7761.611358
Energy at 298.15K	-7761.621131
Nuclear repulsion energy	805.136933

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3224	3077	1.48
2	A₁	547	522	0.35
3	A₁	228	218	0.00
4	E	1199	1144	39.24
4	E	1199	1144	39.27
5	E	666	636	123.01
5	E	666	636	122.95
6	E	155	148	0.00
6	E	155	148	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.515
H2	0.000	0.000	1.596
Br3	0.000	1.849	-0.045
Br4	1.601	-0.925	-0.045
Br5	-1.601	-0.925	-0.045

	C1	H2	Br3	Br4	Br5
C1		1.0813	1.9320	1.9320	1.9320
H2	1.0813		2.4722	2.4722	2.4722
Br3	1.9320	2.4722		3.2030	3.2030
Br4	1.9320	2.4722	3.2030		3.2030
Br5	1.9320	2.4722	3.2030	3.2030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.831	H2	C1	Br4	106.831
H2	C1	Br5	106.831	Br3	C1	Br4	111.978
Br3	C1	Br5	111.978	Br4	C1	Br5	111.978

All results from a given calculation for CHBr₃ (bromoform)

using model chemistry: mPW1PW91/6-311G*

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	-0.590
2	H	0.350
3	Br	0.080
4	Br	0.080
5	Br	0.080

	x	y	z	Total
	0.000	0.000	0.998	0.998
CHELPG
AIM
ESP

<r²>	400.895
(<r²>)^1/2	20.022

All results from a given calculation for CHBr3 (bromoform)

using model chemistry: mPW1PW91/6-311G*

States and conformations

All results from a given calculation for CHBr₃ (bromoform)