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	hartrees
Energy at 0K	-2863.088744
Energy at 298.15K	-2863.094947
HF Energy	-2863.088744
Nuclear repulsion energy	150.010271

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2390	2161	74.06
2	A₁	1032	934	516.36
3	A₁	435	394	56.49
4	E	2390	2161	136.02
4	E	2390	2161	136.02
5	E	1039	940	103.48
5	E	1039	940	103.48
6	E	688	623	31.91
6	E	688	623	31.91

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	-1.480
Br2	0.000	0.000	0.758
H3	0.000	1.393	-1.937
H4	1.207	-0.697	-1.937
H5	-1.207	-0.697	-1.937

	Si1	Br2	H3	H4	H5
Si1		2.2375	1.4666	1.4666	1.4666
Br2	2.2375		3.0340	3.0340	3.0340
H3	1.4666	3.0340		2.4135	2.4135
H4	1.4666	3.0340	2.4135		2.4135
H5	1.4666	3.0340	2.4135	2.4135

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	Si1	H3	108.178	Br2	Si1	H4	108.178
Br2	Si1	H5	108.178	H3	Si1	H4	110.733
H3	Si1	H5	110.733	H4	Si1	H5	110.733

All results from a given calculation for SiH₃Br (bromosilane)

using model chemistry: HF/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	0.646
2	Br	-0.349
3	H	-0.099
4	H	-0.099
5	H	-0.099

	x	y	z	Total
	0.000	0.000	-1.994	1.994
CHELPG
AIM
ESP

<r²>	88.687
(<r²>)^1/2	9.417

All results from a given calculation for SiH3Br (bromosilane)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for SiH₃Br (bromosilane)