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	hartrees
Energy at 0K	-366.954402
Energy at 298.15K
HF Energy	-366.954402
Nuclear repulsion energy	63.864015

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'	3774	3731	71.77	92.51	0.18	0.31
2	A'	2196	2171	92.75	127.62	0.22	0.35
3	A'	2143	2119	81.78	269.23	0.04	0.08
4	A'	946	935	145.89	1.90	0.74	0.85
5	A'	928	917	82.16	4.68	0.66	0.79
6	A'	888	878	40.09	7.05	0.42	0.60
7	A'	809	800	139.04	9.28	0.20	0.33
8	A'	657	650	55.56	3.08	0.60	0.75
9	A"	2143	2119	153.05	70.65	0.75	0.86
10	A"	909	899	57.45	6.55	0.75	0.86
11	A"	682	675	51.87	5.17	0.75	0.86
12	A"	191	189	88.60	0.59	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.031	-0.539	0.000
O2	0.031	1.138	0.000
H3	1.470	-0.931	0.000
H4	-0.653	-1.096	1.215
H5	-0.653	-1.096	-1.215
H6	-0.836	1.569	0.000

	Si1	O2	H3	H4	H5	H6
Si1		1.6772	1.4918	1.5008	1.5008	2.2792
O2	1.6772		2.5202	2.6328	2.6328	0.9677
H3	1.4918	2.5202		2.4513	2.4513	3.4008
H4	1.5008	2.6328	2.4513		2.4300	2.9341
H5	1.5008	2.6328	2.4513	2.4300		2.9341
H6	2.2792	0.9677	3.4008	2.9341	2.9341

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	O2	H6	116.441	O2	Si1	H3	105.215
O2	Si1	H4	111.759	O2	Si1	H5	111.759
H3	Si1	H4	109.994	H3	Si1	H5	109.994
H4	Si1	H5	108.108

All results from a given calculation for SiH₃OH (silanol)

using model chemistry: PBEPBEultrafine/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	0.732
2	O	-0.453
3	H	-0.118
4	H	-0.130
5	H	-0.130
6	H	0.098

	x	y	z	Total
	-1.253	-0.020	0.000	1.253
CHELPG
AIM
ESP

	x	y	z
x	5.289	-0.022	0.000
y	-0.022	5.462	0.000
z	0.000	0.000	5.242

<r²>	40.021
(<r²>)^1/2	6.326

All results from a given calculation for SiH3OH (silanol)

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for SiH₃OH (silanol)