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	hartrees
Energy at 0K	-7761.647804
Energy at 298.15K	-7761.657590
Nuclear repulsion energy	806.963992

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3209	3075	7.03
2	A₁	548	525	0.40
3	A₁	228	219	0.00
4	E	1157	1109	29.74
4	E	1157	1109	29.76
5	E	671	643	106.61
5	E	671	643	106.52
6	E	155	149	0.00
6	E	155	149	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.526
H2	0.000	0.000	1.616
Br3	0.000	1.844	-0.045
Br4	1.597	-0.922	-0.045
Br5	-1.597	-0.922	-0.045

	C1	H2	Br3	Br4	Br5
C1		1.0896	1.9303	1.9303	1.9303
H2	1.0896		2.4817	2.4817	2.4817
Br3	1.9303	2.4817		3.1935	3.1935
Br4	1.9303	2.4817	3.1935		3.1935
Br5	1.9303	2.4817	3.1935	3.1935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.222	H2	C1	Br4	107.222
H2	C1	Br5	107.222	Br3	C1	Br4	111.624
Br3	C1	Br5	111.624	Br4	C1	Br5	111.624

All results from a given calculation for CHBr₃ (bromoform)

using model chemistry: mPW1PW91/aug-cc-pVDZ

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	-1.140
2	H	0.077
3	Br	0.354
4	Br	0.354
5	Br	0.354

	x	y	z	Total
	0.000	0.000	0.894	0.894
CHELPG
AIM
ESP

	x	y	z
x	12.821	0.000	0.000
y	0.000	12.822	-0.001
z	0.000	-0.001	8.510

<r²>	399.033
(<r²>)^1/2	19.976

All results from a given calculation for CHBr3 (bromoform)

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for CHBr₃ (bromoform)