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	hartrees
Energy at 0K	-7761.137772
Energy at 298.15K	-7761.147461
Nuclear repulsion energy	796.464879

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3209	3100	1.36
2	A₁	529	511	0.38
3	A₁	220	213	0.00
4	E	1184	1145	41.60
4	E	1184	1145	41.59
5	E	623	602	130.99
5	E	623	602	130.97
6	E	151	146	0.03
6	E	151	146	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.518
H2	0.000	0.000	1.599
Br3	0.000	1.870	-0.045
Br4	1.619	-0.935	-0.045
Br5	-1.619	-0.935	-0.045

	C1	H2	Br3	Br4	Br5
C1		1.0804	1.9527	1.9527	1.9527
H2	1.0804		2.4894	2.4894	2.4894
Br3	1.9527	2.4894		3.2386	3.2386
Br4	1.9527	2.4894	3.2386		3.2386
Br5	1.9527	2.4894	3.2386	3.2386

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.757	H2	C1	Br4	106.757
H2	C1	Br5	106.757	Br3	C1	Br4	112.044
Br3	C1	Br5	112.044	Br4	C1	Br5	112.044

All results from a given calculation for CHBr₃ (bromoform)

using model chemistry: B3LYP/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	-0.538
2	H	0.330
3	Br	0.069
4	Br	0.069
5	Br	0.069

	x	y	z	Total
	0.000	0.000	1.001	1.001
CHELPG
AIM
ESP

	x	y	z
x	10.458	0.000	0.000
y	0.000	10.458	-0.000
z	0.000	-0.000	5.374

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CHBr3 (bromoform)

using model chemistry: B3LYP/6-311G*

States and conformations

All results from a given calculation for CHBr₃ (bromoform)