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	hartrees
Energy at 0K	-7753.864549
Energy at 298.15K	-7753.874357
HF Energy	-7753.864549
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3251	3084	2.68
2	A₁	550	522	0.99
3	A₁	231	219	0.01
4	E	1185	1124	36.16
4	E	1184	1123	35.85
5	E	688	653	95.42
5	E	688	653	95.67
6	E	163	154	0.00
6	E	163	154	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.537
H2	0.000	0.000	1.621
Br3	0.000	1.840	-0.046
Br4	1.593	-0.920	-0.046
Br5	-1.593	-0.920	-0.046

	C1	H2	Br3	Br4	Br5
C1		1.0843	1.9297	1.9297	1.9297
H2	1.0843		2.4826	2.4826	2.4826
Br3	1.9297	2.4826		3.1861	3.1861
Br4	1.9297	2.4826	3.1861		3.1861
Br5	1.9297	2.4826	3.1861	3.1861

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.584	H2	C1	Br4	107.584
H2	C1	Br5	107.584	Br3	C1	Br4	111.291
Br3	C1	Br5	111.291	Br4	C1	Br5	111.291

All results from a given calculation for CHBr₃ (bromoform)

using model chemistry: wB97X-D/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	-0.223
2	H	0.283
3	Br	-0.020
4	Br	-0.020
5	Br	-0.020

	x	y	z	Total
	0.000	0.000	0.968	0.968
CHELPG
AIM
ESP

	x	y	z
x	10.153	0.000	0.000
y	0.000	10.154	-0.001
z	0.000	-0.001	6.068

<r²>	396.437
(<r²>)^1/2	19.911

All results from a given calculation for CHBr3 (bromoform)

using model chemistry: wB97X-D/6-31G*

States and conformations

All results from a given calculation for CHBr₃ (bromoform)