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	hartrees
Energy at 0K	-367.174805
Energy at 298.15K
HF Energy	-367.174805
Nuclear repulsion energy	63.804839

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'	3740	3727	66.27	96.25	0.19	0.32
2	A'	2205	2198	100.69	132.47	0.20	0.34
3	A'	2153	2145	90.37	262.85	0.05	0.09
4	A'	965	962	164.12	2.31	0.75	0.85
5	A'	945	942	90.86	4.86	0.72	0.84
6	A'	890	887	40.33	6.06	0.40	0.57
7	A'	799	796	142.55	9.92	0.19	0.32
8	A'	668	666	57.68	3.05	0.60	0.75
9	A"	2152	2144	166.67	71.56	0.75	0.86
10	A"	928	925	65.52	6.47	0.75	0.86
11	A"	692	690	52.90	5.21	0.75	0.86
12	A"	194	193	90.91	0.59	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.030	-0.542	0.000
O2	0.030	1.140	0.000
H3	1.464	-0.932	0.000
H4	-0.651	-1.094	1.210
H5	-0.651	-1.094	-1.210
H6	-0.829	1.586	0.000

	Si1	O2	H3	H4	H5	H6
Si1		1.6819	1.4855	1.4944	1.4944	2.2954
O2	1.6819		2.5192	2.6304	2.6304	0.9686
H3	1.4855	2.5192		2.4416	2.4416	3.4057
H4	1.4944	2.6304	2.4416		2.4206	2.9464
H5	1.4944	2.6304	2.4416	2.4206		2.9464
H6	2.2954	0.9686	3.4057	2.9464	2.9464

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	O2	H6	117.445	O2	Si1	H3	105.210
O2	Si1	H4	111.681	O2	Si1	H5	111.681
H3	Si1	H4	110.044	H3	Si1	H5	110.044
H4	Si1	H5	108.170

All results from a given calculation for SiH₃OH (silanol)

using model chemistry: BLYP/aug-cc-pVTZ

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	0.985
2	O	-0.471
3	H	-0.192
4	H	-0.204
5	H	-0.204
6	H	0.085

	x	y	z	Total
	-1.254	-0.059	0.000	1.256
CHELPG
AIM
ESP

	x	y	z
x	5.253	-0.026	0.000
y	-0.026	5.443	0.000
z	0.000	0.000	5.201

<r²>	40.201
(<r²>)^1/2	6.340

All results from a given calculation for SiH3OH (silanol)

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for SiH₃OH (silanol)