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	hartrees
Energy at 0K	-7719.540216
Energy at 298.15K	-7719.549996
HF Energy	-7719.021204
Nuclear repulsion energy	801.368675

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3180	3056	0.64
2	A₁	548	527	1.26
3	A₁	219	210	0.02
4	E	1210	1163	28.62
4	E	1210	1163	28.62
5	E	694	667	66.58
5	E	694	667	66.58
6	E	153	147	0.06
6	E	153	147	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.563
H2	0.000	0.000	1.651
Br3	0.000	1.854	-0.048
Br4	1.606	-0.927	-0.048
Br5	-1.606	-0.927	-0.048

	C1	H2	Br3	Br4	Br5
C1		1.0881	1.9522	1.9522	1.9522
H2	1.0881		2.5150	2.5150	2.5150
Br3	1.9522	2.5150		3.2113	3.2113
Br4	1.9522	2.5150	3.2113		3.2113
Br5	1.9522	2.5150	3.2113	3.2113

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.247	H2	C1	Br4	108.247
H2	C1	Br5	108.247	Br3	C1	Br4	110.667
Br3	C1	Br5	110.667	Br4	C1	Br5	110.667

All results from a given calculation for CHBr₃ (bromoform)

using model chemistry: QCISD/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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All results from a given calculation for CHBr3 (bromoform)

using model chemistry: QCISD/3-21G*

States and conformations

All results from a given calculation for CHBr₃ (bromoform)