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	hartrees
Energy at 0K	-367.097923
Energy at 298.15K
HF Energy	-367.097923
Nuclear repulsion energy	64.363194

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'	3825	3825	65.31	78.83	0.27	0.42
2	A'	2208	2208	106.01	97.50	0.23	0.37
3	A'	2153	2153	101.65	145.19	0.08	0.15
4	A'	993	993	154.18	4.23	0.67	0.80
5	A'	957	957	96.37	9.57	0.74	0.85
6	A'	913	913	54.94	10.42	0.68	0.81
7	A'	824	824	124.19	7.79	0.18	0.30
8	A'	682	682	58.37	4.50	0.64	0.78
9	A"	2146	2146	181.27	57.56	0.75	0.86
10	A"	931	931	66.90	12.59	0.75	0.86
11	A"	701	701	56.22	8.35	0.75	0.86
12	A"	211	211	93.75	1.62	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.030	-0.532	0.000
O2	0.030	1.128	0.000
H3	1.462	-0.928	0.000
H4	-0.646	-1.101	1.206
H5	-0.646	-1.101	-1.206
H6	-0.835	1.550	0.000

	Si1	O2	H3	H4	H5	H6
Si1		1.6605	1.4855	1.4952	1.4952	2.2550
O2	1.6605		2.5057	2.6235	2.6235	0.9624
H3	1.4855	2.5057		2.4349	2.4349	3.3789
H4	1.4952	2.6235	2.4349		2.4121	2.9191
H5	1.4952	2.6235	2.4349	2.4121		2.9191
H6	2.2550	0.9624	3.3789	2.9191	2.9191

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	O2	H6	116.007	O2	Si1	H3	105.450
O2	Si1	H4	112.371	O2	Si1	H5	112.371
H3	Si1	H4	109.546	H3	Si1	H5	109.546
H4	Si1	H5	107.526

All results from a given calculation for SiH₃OH (silanol)

using model chemistry: B97D3/6-31G(2df,p)

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	0.138
2	O	-0.427
3	H	0.009
4	H	-0.013
5	H	-0.013
6	H	0.306

	x	y	z	Total
	-1.300	0.229	0.000	1.320
CHELPG
AIM
ESP

	x	y	z
x	4.131	-0.110	0.000
y	-0.110	4.145	0.000
z	0.000	0.000	3.956

<r²>	39.153
(<r²>)^1/2	6.257

All results from a given calculation for SiH3OH (silanol)

using model chemistry: B97D3/6-31G(2df,p)

States and conformations

All results from a given calculation for SiH₃OH (silanol)