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	hartrees
Energy at 0K	-7754.753642
Energy at 298.15K	-7754.763406
Nuclear repulsion energy	811.234741

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3247	3083	2.80
2	A₁	545	517	0.94
3	A₁	226	215	0.01
4	E	1173	1113	36.36
4	E	1173	1113	36.21
5	E	667	633	107.58
5	E	667	633	107.30
6	E	159	151	0.00
6	E	159	151	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.537
H2	0.000	0.000	1.619
Br3	0.000	1.833	-0.046
Br4	1.587	-0.916	-0.046
Br5	-1.587	-0.916	-0.046

	C1	H2	Br3	Br4	Br5
C1		1.0818	1.9236	1.9236	1.9236
H2	1.0818		2.4765	2.4765	2.4765
Br3	1.9236	2.4765		3.1748	3.1748
Br4	1.9236	2.4765	3.1748		3.1748
Br5	1.9236	2.4765	3.1748	3.1748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.659	H2	C1	Br4	107.659
H2	C1	Br5	107.659	Br3	C1	Br4	111.221
Br3	C1	Br5	111.221	Br4	C1	Br5	111.221

All results from a given calculation for CHBr₃ (bromoform)

using model chemistry: B1B95/6-31G*

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	-0.246
2	H	0.283
3	Br	-0.013
4	Br	-0.013
5	Br	-0.013

	x	y	z	Total
	0.000	0.000	0.947	0.947
CHELPG
AIM
ESP

<r²>	394.271
(<r²>)^1/2	19.856

All results from a given calculation for CHBr3 (bromoform)

using model chemistry: B1B95/6-31G*

States and conformations

All results from a given calculation for CHBr₃ (bromoform)