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	hartrees
Energy at 0K	-2865.434708
Energy at 298.15K	-2865.440789
HF Energy	-2865.434708
Nuclear repulsion energy	150.000583

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2244	2160	59.64
2	A₁	940	905	367.87
3	A₁	420	404	42.94
4	E	2259	2174	98.88
4	E	2259	2174	98.89
5	E	948	912	62.62
5	E	948	912	62.62
6	E	633	609	20.35
6	E	633	609	20.35

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	-1.476
Br2	0.000	0.000	0.757
H3	0.000	1.405	-1.947
H4	1.217	-0.703	-1.947
H5	-1.217	-0.703	-1.947

	Si1	Br2	H3	H4	H5
Si1		2.2330	1.4821	1.4821	1.4821
Br2	2.2330		3.0477	3.0477	3.0477
H3	1.4821	3.0477		2.4337	2.4337
H4	1.4821	3.0477	2.4337		2.4337
H5	1.4821	3.0477	2.4337	2.4337

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	Si1	H3	108.549	Br2	Si1	H4	108.549
Br2	Si1	H5	108.549	H3	Si1	H4	110.378
H3	Si1	H5	110.378	H4	Si1	H5	110.378

All results from a given calculation for SiH₃Br (bromosilane)

using model chemistry: B3PW91/6-311G*

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	Si	0.368
2	Br	-0.266
3	H	-0.034
4	H	-0.034
5	H	-0.034

	x	y	z	Total
	0.000	0.000	-1.628	1.628
CHELPG
AIM
ESP

<r²>	88.378
(<r²>)^1/2	9.401

All results from a given calculation for SiH3Br (bromosilane)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for SiH₃Br (bromosilane)