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	hartrees
Energy at 0K	-7753.915576
Energy at 298.15K	-7753.925430
HF Energy	-7753.915576
Nuclear repulsion energy	811.826022

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3234	3081	6.57
2	A₁	563	536	0.59
3	A₁	235	224	0.00
4	E	1194	1137	38.33
4	E	1194	1137	38.03
5	E	692	659	96.29
5	E	692	659	96.03
6	E	164	156	0.00
6	E	164	156	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.557
H2	0.000	0.000	1.642
Br3	0.000	1.826	-0.047
Br4	1.581	-0.913	-0.047
Br5	-1.581	-0.913	-0.047

	C1	H2	Br3	Br4	Br5
C1		1.0848	1.9233	1.9233	1.9233
H2	1.0848		2.4873	2.4873	2.4873
Br3	1.9233	2.4873		3.1625	3.1625
Br4	1.9233	2.4873	3.1625		3.1625
Br5	1.9233	2.4873	3.1625	3.1625

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.309	H2	C1	Br4	108.309
H2	C1	Br5	108.309	Br3	C1	Br4	110.608
Br3	C1	Br5	110.608	Br4	C1	Br5	110.608

All results from a given calculation for CHBr₃ (bromoform)

using model chemistry: wB97X-D/cc-pVDZ

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	-0.267
2	H	0.253
3	Br	0.005
4	Br	0.005
5	Br	0.005

	x	y	z	Total
	0.000	0.000	0.967	0.967
CHELPG
AIM
ESP

	x	y	z
x	11.385	0.000	0.000
y	0.000	11.388	-0.002
z	0.000	-0.002	7.450

<r²>	394.165
(<r²>)^1/2	19.854

All results from a given calculation for CHBr3 (bromoform)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for CHBr₃ (bromoform)