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	hartrees
Energy at 0K	-366.922495
Energy at 298.15K
HF Energy	-366.922495
Nuclear repulsion energy	63.873172

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'	3755	3716	46.30	97.56	0.30	0.46
2	A'	2203	2180	100.85	131.21	0.26	0.41
3	A'	2138	2116	104.32	201.28	0.09	0.16
4	A'	991	980	198.43	17.57	0.71	0.83
5	A'	931	922	108.22	22.15	0.75	0.86
6	A'	889	880	32.74	19.30	0.73	0.85
7	A'	799	791	170.75	9.52	0.26	0.41
8	A'	673	666	75.79	9.05	0.71	0.83
9	A"	2133	2111	190.70	90.33	0.75	0.86
10	A"	901	891	76.71	28.66	0.75	0.86
11	A"	696	688	74.69	18.06	0.75	0.86
12	A"	238	236	135.18	2.90	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.029	-0.537	0.000
O2	0.029	1.136	0.000
H3	1.469	-0.929	0.000
H4	-0.649	-1.120	1.209
H5	-0.649	-1.120	-1.209
H6	-0.818	1.604	0.000

	Si1	O2	H3	H4	H5	H6
Si1		1.6732	1.4917	1.5036	1.5036	2.3029
O2	1.6732		2.5170	2.6476	2.6476	0.9683
H3	1.4917	2.5170		2.4458	2.4458	3.4126
H4	1.5036	2.6476	2.4458		2.4176	2.9848
H5	1.5036	2.6476	2.4458	2.4176		2.9848
H6	2.3029	0.9683	3.4126	2.9848	2.9848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	O2	H6	118.905	O2	Si1	H3	105.224
O2	Si1	H4	112.799	O2	Si1	H5	112.799
H3	Si1	H4	109.485	H3	Si1	H5	109.485
H4	Si1	H5	107.015

All results from a given calculation for SiH₃OH (silanol)

using model chemistry: PBEPBEultrafine/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	0.540
2	O	-0.723
3	H	-0.058
4	H	-0.087
5	H	-0.087
6	H	0.415

	x	y	z	Total
	-1.550	0.122	0.000	1.555
CHELPG
AIM
ESP

	x	y	z
x	4.267	-0.043	0.000
y	-0.043	4.086	0.000
z	0.000	0.000	4.032

<r²>	39.967
(<r²>)^1/2	6.322

All results from a given calculation for SiH3OH (silanol)

using model chemistry: PBEPBEultrafine/6-311G*

States and conformations

All results from a given calculation for SiH₃OH (silanol)