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	hartrees
Energy at 0K	-7761.128121
Energy at 298.15K	-7761.137655
Nuclear repulsion energy	785.462532

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3127	3119	1.08
2	A₁	503	502	0.29
3	A₁	207	207	0.00
4	E	1135	1132	41.01
4	E	1135	1132	41.00
5	E	559	557	156.18
5	E	559	557	156.17
6	E	142	142	0.19
6	E	142	142	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.522
H2	0.000	0.000	1.609
Br3	0.000	1.896	-0.045
Br4	1.642	-0.948	-0.045
Br5	-1.642	-0.948	-0.045

	C1	H2	Br3	Br4	Br5
C1		1.0870	1.9795	1.9795	1.9795
H2	1.0870		2.5167	2.5167	2.5167
Br3	1.9795	2.5167		3.2847	3.2847
Br4	1.9795	2.5167	3.2847		3.2847
Br5	1.9795	2.5167	3.2847	3.2847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.657	H2	C1	Br4	106.657
H2	C1	Br5	106.657	Br3	C1	Br4	112.133
Br3	C1	Br5	112.133	Br4	C1	Br5	112.133

All results from a given calculation for CHBr₃ (bromoform)

using model chemistry: BLYP/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	-0.522
2	H	0.319
3	Br	0.068
4	Br	0.068
5	Br	0.068

	x	y	z	Total
	0.000	0.000	0.980	0.980
CHELPG
AIM
ESP

	x	y	z
x	11.096	0.000	0.000
y	0.000	11.096	-0.000
z	0.000	-0.000	5.482

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CHBr3 (bromoform)

using model chemistry: BLYP/6-311G*

States and conformations

All results from a given calculation for CHBr₃ (bromoform)