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	hartrees
Energy at 0K	-7754.271293
Energy at 298.15K	-7754.281064
Nuclear repulsion energy	809.196671

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3248	3080	2.92
2	A₁	546	518	0.93
3	A₁	228	216	0.00
4	E	1179	1118	36.17
4	E	1179	1118	36.20
5	E	665	630	109.36
5	E	665	630	109.31
6	E	160	152	0.00
6	E	160	152	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.536
H2	0.000	0.000	1.619
Br3	0.000	1.838	-0.046
Br4	1.592	-0.919	-0.046
Br5	-1.592	-0.919	-0.046

	C1	H2	Br3	Br4	Br5
C1		1.0829	1.9279	1.9279	1.9279
H2	1.0829		2.4801	2.4801	2.4801
Br3	1.9279	2.4801		3.1832	3.1832
Br4	1.9279	2.4801	3.1832		3.1832
Br5	1.9279	2.4801	3.1832	3.1832

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.583	H2	C1	Br4	107.583
H2	C1	Br5	107.583	Br3	C1	Br4	111.292
Br3	C1	Br5	111.292	Br4	C1	Br5	111.292

All results from a given calculation for CHBr₃ (bromoform)

using model chemistry: mPW1PW91/6-31G*

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	-0.258
2	H	0.291
3	Br	-0.011
4	Br	-0.011
5	Br	-0.011

	x	y	z	Total
	0.000	0.000	0.961	0.961
CHELPG
AIM
ESP

<r²>	396.205
(<r²>)^1/2	19.905

All results from a given calculation for CHBr3 (bromoform)

using model chemistry: mPW1PW91/6-31G*

States and conformations

All results from a given calculation for CHBr₃ (bromoform)