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	hartrees
Energy at 0K	-7759.871728
Energy at 298.15K	-7759.881363
Nuclear repulsion energy	796.552146

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3113	3095	2.88
2	A₁	520	517	0.52
3	A₁	216	215	0.00
4	E	1098	1092	31.75
4	E	1098	1092	31.75
5	E	607	604	142.12
5	E	607	604	142.13
6	E	147	146	0.06
6	E	147	146	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.523
H2	0.000	0.000	1.624
Br3	0.000	1.869	-0.045
Br4	1.618	-0.934	-0.045
Br5	-1.618	-0.934	-0.045

	C1	H2	Br3	Br4	Br5
C1		1.1009	1.9534	1.9534	1.9534
H2	1.1009		2.5061	2.5061	2.5061
Br3	1.9534	2.5061		3.2367	3.2367
Br4	1.9534	2.5061	3.2367		3.2367
Br5	1.9534	2.5061	3.2367	3.2367

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.931	H2	C1	Br4	106.931
H2	C1	Br5	106.931	Br3	C1	Br4	111.887
Br3	C1	Br5	111.887	Br4	C1	Br5	111.887

All results from a given calculation for CHBr₃ (bromoform)

using model chemistry: PBEPBE/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	-0.291
2	H	0.164
3	Br	0.042
4	Br	0.042
5	Br	0.042

	x	y	z	Total
	0.000	0.000	0.888	0.888
CHELPG
AIM
ESP

<r²>	408.249
(<r²>)^1/2	20.205

All results from a given calculation for CHBr3 (bromoform)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for CHBr₃ (bromoform)