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	hartrees
Energy at 0K	-366.984762
Energy at 298.15K
HF Energy	-366.984762
Nuclear repulsion energy	64.743146

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3964	3964	97.71	75.12	0.21	0.35
2	A'	2260	2260	94.99	125.45	0.19	0.32
3	A'	2214	2214	88.33	217.59	0.06	0.11
4	A'	987	987	172.72	1.84	0.75	0.86
5	A'	965	965	87.58	6.74	0.74	0.85
6	A'	905	905	12.29	7.46	0.39	0.56
7	A'	840	840	185.86	5.91	0.23	0.37
8	A'	679	679	64.80	3.21	0.69	0.82
9	A"	2210	2210	160.79	64.15	0.75	0.86
10	A"	946	946	65.84	7.77	0.75	0.86
11	A"	714	714	62.05	5.91	0.75	0.86
12	A"	187	187	98.87	0.61	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.030	-0.531	0.000
O2	0.030	1.118	0.000
H3	1.454	-0.933	0.000
H4	-0.651	-1.078	1.204
H5	-0.651	-1.078	-1.204
H6	-0.811	1.572	0.000

	Si1	O2	H3	H4	H5	H6
Si1		1.6489	1.4797	1.4880	1.4880	2.2645
O2	1.6489		2.4973	2.5958	2.5958	0.9552
H3	1.4797	2.4973		2.4296	2.4296	3.3771
H4	1.4880	2.5958	2.4296		2.4086	2.9153
H5	1.4880	2.5958	2.4296	2.4086		2.9153
H6	2.2645	0.9552	3.3771	2.9153	2.9153

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	O2	H6	118.364	O2	Si1	H3	105.793
O2	Si1	H4	111.586	O2	Si1	H5	111.586
H3	Si1	H4	109.902	H3	Si1	H5	109.902
H4	Si1	H5	108.064

All results from a given calculation for SiH₃OH (silanol)

using model chemistry: PBE1PBE/6-311+G(3df,2p)

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	0.555
2	O	-0.516
3	H	-0.075
4	H	-0.081
5	H	-0.081
6	H	0.198

	x	y	z	Total
	-1.298	0.076	0.000	1.301
CHELPG
AIM
ESP

	x	y	z
x	4.787	-0.022	0.000
y	-0.022	4.855	0.000
z	0.000	0.000	4.754

<r²>	39.143
(<r²>)^1/2	6.256

All results from a given calculation for SiH3OH (silanol)

using model chemistry: PBE1PBE/6-311+G(3df,2p)

States and conformations

All results from a given calculation for SiH₃OH (silanol)