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	hartrees
Energy at 0K	-365.105573
Energy at 298.15K
HF Energy	-365.105573
Nuclear repulsion energy	63.006898

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3638	3497	32.86
2	A'	2243	2156	119.61
3	A'	2170	2086	131.00
4	A'	1045	1005	175.09
5	A'	952	915	102.06
6	A'	923	887	61.07
7	A'	788	757	145.12
8	A'	723	695	99.32
9	A"	2162	2078	222.59
10	A"	893	858	77.33
11	A"	729	701	94.71
12	A"	280	269	153.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.029	-0.547	0.000
O2	0.029	1.157	0.000
H3	1.465	-0.945	0.000
H4	-0.636	-1.147	1.210
H5	-0.636	-1.147	-1.210
H6	-0.826	1.647	0.000

	Si1	O2	H3	H4	H5	H6
Si1		1.7040	1.4907	1.5056	1.5056	2.3543
O2	1.7040		2.5456	2.6862	2.6862	0.9848
H3	1.4907	2.5456		2.4336	2.4336	3.4589
H4	1.5056	2.6862	2.4336		2.4204	3.0506
H5	1.5056	2.6862	2.4336	2.4204		3.0506
H6	2.3543	0.9848	3.4589	3.0506	3.0506

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	O2	H6	119.824	O2	Si1	H3	105.463
O2	Si1	H4	113.490	O2	Si1	H5	113.490
H3	Si1	H4	108.624	H3	Si1	H5	108.624
H4	Si1	H5	106.991

All results from a given calculation for SiH₃OH (silanol)

using model chemistry: B3PW91/3-21G

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	0.774
2	O	-0.701
3	H	-0.132
4	H	-0.160
5	H	-0.160
6	H	0.379

	x	y	z	Total
	-1.702	0.063	0.000	1.703
CHELPG
AIM
ESP

	x	y	z
x	3.510	-0.188	0.000
y	-0.188	3.746	0.000
z	0.000	0.000	3.180

<r²>	40.862
(<r²>)^1/2	6.392

All results from a given calculation for SiH3OH (silanol)

using model chemistry: B3PW91/3-21G

States and conformations

All results from a given calculation for SiH₃OH (silanol)