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	hartrees
Energy at 0K	-365.151611
Energy at 298.15K
HF Energy	-365.151611
Nuclear repulsion energy	63.129798

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'	3673	3506	38.02	126.61	0.30	0.47
2	A'	2256	2154	118.93	106.67	0.24	0.39
3	A'	2187	2088	129.74	163.11	0.09	0.16
4	A'	1050	1002	181.24	17.84	0.67	0.80
5	A'	956	912	98.94	14.93	0.72	0.84
6	A'	928	886	61.22	40.73	0.75	0.86
7	A'	793	757	153.14	8.83	0.11	0.20
8	A'	726	693	100.37	7.18	0.74	0.85
9	A"	2178	2079	220.96	68.09	0.75	0.86
10	A"	898	857	79.36	39.29	0.75	0.86
11	A"	733	700	98.26	14.09	0.75	0.86
12	A"	278	265	156.53	3.93	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.029	-0.546	0.000
O2	0.029	1.154	0.000
H3	1.463	-0.945	0.000
H4	-0.636	-1.143	1.208
H5	-0.636	-1.143	-1.208
H6	-0.820	1.649	0.000

	Si1	O2	H3	H4	H5	H6
Si1		1.7003	1.4886	1.5030	1.5030	2.3539
O2	1.7003		2.5424	2.6795	2.6795	0.9824
H3	1.4886	2.5424		2.4302	2.4302	3.4558
H4	1.5030	2.6795	2.4302		2.4168	3.0485
H5	1.5030	2.6795	2.4302	2.4168		3.0485
H6	2.3539	0.9824	3.4558	3.0485	3.0485

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	O2	H6	120.290	O2	Si1	H3	105.550
O2	Si1	H4	113.402	O2	Si1	H5	113.402
H3	Si1	H4	108.652	H3	Si1	H5	108.652
H4	Si1	H5	107.031

All results from a given calculation for SiH₃OH (silanol)

using model chemistry: mPW1PW91/3-21G

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	0.788
2	O	-0.714
3	H	-0.133
4	H	-0.162
5	H	-0.162
6	H	0.382

	x	y	z	Total
	-1.704	0.038	0.000	1.705
CHELPG
AIM
ESP

	x	y	z
x	3.485	-0.187	0.000
y	-0.187	3.700	0.000
z	0.000	0.000	3.162

<r²>	40.755
(<r²>)^1/2	6.384

All results from a given calculation for SiH3OH (silanol)

using model chemistry: mPW1PW91/3-21G

States and conformations

All results from a given calculation for SiH₃OH (silanol)