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	hartrees
Energy at 0K	-7761.207865
Energy at 298.15K	-7761.217680
HF Energy	-7761.207865
Nuclear repulsion energy	805.026659

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3217	3077	1.83
2	A₁	551	527	0.48
3	A₁	230	220	0.00
4	E	1187	1135	38.09
4	E	1187	1135	38.59
5	E	689	659	104.73
5	E	689	659	105.09
6	E	157	150	0.00
6	E	157	150	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.511
H2	0.000	0.000	1.593
Br3	0.000	1.855	-0.044
Br4	1.606	-0.927	-0.044
Br5	-1.606	-0.927	-0.044

	C1	H2	Br3	Br4	Br5
C1		1.0825	1.9361	1.9361	1.9361
H2	1.0825		2.4744	2.4744	2.4744
Br3	1.9361	2.4744		3.2126	3.2126
Br4	1.9361	2.4744	3.2126		3.2126
Br5	1.9361	2.4744	3.2126	3.2126

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.664	H2	C1	Br4	106.664
H2	C1	Br5	106.664	Br3	C1	Br4	112.126
Br3	C1	Br5	112.126	Br4	C1	Br5	112.126

All results from a given calculation for CHBr₃ (bromoform)

using model chemistry: wB97X-D/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	-0.443
2	H	0.256
3	Br	0.062
4	Br	0.062
5	Br	0.062

	x	y	z	Total
	0.000	0.000	0.986	0.986
CHELPG
AIM
ESP

	x	y	z
x	10.068	0.000	0.000
y	0.000	10.063	-0.000
z	0.000	-0.000	5.376

<r²>	401.035
(<r²>)^1/2	20.026

All results from a given calculation for CHBr3 (bromoform)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for CHBr₃ (bromoform)