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	hartrees
Energy at 0K	-366.956460
Energy at 298.15K
HF Energy	-366.956460
Nuclear repulsion energy	64.166900

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'	3797	3751	73.40	86.43	0.23	0.38
2	A'	2193	2166	93.39	120.19	0.23	0.38
3	A'	2142	2116	83.38	216.86	0.06	0.12
4	A'	960	948	159.85	4.32	0.74	0.85
5	A'	933	921	82.37	9.35	0.74	0.85
6	A'	888	877	23.92	9.72	0.60	0.75
7	A'	814	804	151.95	7.97	0.24	0.39
8	A'	661	653	59.43	4.30	0.69	0.82
9	A"	2140	2115	158.61	69.75	0.75	0.86
10	A"	912	901	60.69	12.42	0.75	0.86
11	A"	690	681	55.28	9.31	0.75	0.86
12	A"	185	183	94.30	1.34	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.030	-0.535	0.000
O2	0.030	1.130	0.000
H3	1.466	-0.932	0.000
H4	-0.652	-1.095	1.211
H5	-0.652	-1.095	-1.211
H6	-0.830	1.569	0.000

	Si1	O2	H3	H4	H5	H6
Si1		1.6653	1.4898	1.4987	1.4987	2.2737
O2	1.6653		2.5132	2.6239	2.6239	0.9664
H3	1.4898	2.5132		2.4452	2.4452	3.3961
H4	1.4987	2.6239	2.4452		2.4227	2.9324
H5	1.4987	2.6239	2.4452	2.4227		2.9324
H6	2.2737	0.9664	3.3961	2.9324	2.9324

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	O2	H6	117.029	O2	Si1	H3	105.464
O2	Si1	H4	111.942	O2	Si1	H5	111.942
H3	Si1	H4	109.811	H3	Si1	H5	109.811
H4	Si1	H5	107.858

All results from a given calculation for SiH₃OH (silanol)

using model chemistry: PBEPBE/Def2TZVPP

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	0.388
2	O	-0.367
3	H	-0.059
4	H	-0.076
5	H	-0.076
6	H	0.191

	x	y	z	Total
	-1.277	0.133	0.000	1.284
CHELPG
AIM
ESP

	x	y	z
x	4.831	-0.045	0.000
y	-0.045	4.827	0.000
z	0.000	0.000	4.696

<r²>	39.654
(<r²>)^1/2	6.297

All results from a given calculation for SiH3OH (silanol)

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

All results from a given calculation for SiH₃OH (silanol)