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	hartrees
Energy at 0K	-7761.129605
Energy at 298.15K	-7761.139144
Nuclear repulsion energy	785.563425

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3126	3114	1.74
2	A₁	502	500	0.36
3	A₁	207	206	0.00
4	E	1119	1115	40.23
4	E	1119	1115	40.21
5	E	559	557	155.38
5	E	559	557	155.37
6	E	142	142	0.20
6	E	142	142	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.522
H2	0.000	0.000	1.608
Br3	0.000	1.896	-0.045
Br4	1.642	-0.948	-0.045
Br5	-1.642	-0.948	-0.045

	C1	H2	Br3	Br4	Br5
C1		1.0868	1.9791	1.9791	1.9791
H2	1.0868		2.5158	2.5158	2.5158
Br3	1.9791	2.5158		3.2844	3.2844
Br4	1.9791	2.5158	3.2844		3.2844
Br5	1.9791	2.5158	3.2844	3.2844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.637	H2	C1	Br4	106.637
H2	C1	Br5	106.637	Br3	C1	Br4	112.151
Br3	C1	Br5	112.151	Br4	C1	Br5	112.151

All results from a given calculation for CHBr₃ (bromoform)

using model chemistry: BLYP/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	-0.412
2	H	0.241
3	Br	0.057
4	Br	0.057
5	Br	0.057

	x	y	z	Total
	0.000	0.000	0.968	0.968
CHELPG
AIM
ESP

	x	y	z
x	11.106	0.000	0.000
y	0.000	11.106	-0.000
z	0.000	-0.000	5.495

<r²>	419.809
(<r²>)^1/2	20.489

All results from a given calculation for CHBr3 (bromoform)

using model chemistry: BLYP/6-311G**

States and conformations

All results from a given calculation for CHBr₃ (bromoform)