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	hartrees
Energy at 0K	-7723.878353
Energy at 298.15K	-7723.888040
Nuclear repulsion energy	782.600567

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3235	3122	0.12
2	A₁	506	489	0.91
3	A₁	216	208	0.00
4	E	1191	1149	32.91
4	E	1191	1149	32.92
5	E	644	621	128.84
5	E	644	621	128.85
6	E	149	144	0.00
6	E	149	144	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.521
H2	0.000	0.000	1.603
Br3	0.000	1.904	-0.045
Br4	1.649	-0.952	-0.045
Br5	-1.649	-0.952	-0.045

	C1	H2	Br3	Br4	Br5
C1		1.0820	1.9861	1.9861	1.9861
H2	1.0820		2.5179	2.5179	2.5179
Br3	1.9861	2.5179		3.2976	3.2976
Br4	1.9861	2.5179	3.2976		3.2976
Br5	1.9861	2.5179	3.2976	3.2976

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.550	H2	C1	Br4	106.550
H2	C1	Br5	106.550	Br3	C1	Br4	112.228
Br3	C1	Br5	112.228	Br4	C1	Br5	112.228

All results from a given calculation for CHBr₃ (bromoform)

using model chemistry: B3LYP/3-21G

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	-0.854
2	H	0.342
3	Br	0.171
4	Br	0.171
5	Br	0.171

	x	y	z	Total
	0.000	0.000	1.086	1.086
CHELPG
AIM
ESP

<r²>	422.299
(<r²>)^1/2	20.550

All results from a given calculation for CHBr3 (bromoform)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for CHBr₃ (bromoform)