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	hartrees
Energy at 0K	-366.914052
Energy at 298.15K
HF Energy	-366.823690
Nuclear repulsion energy	64.289761

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'	3837	3640	70.29	86.60	0.29	0.45
2	A'	2329	2210	140.83	96.78	0.26	0.41
3	A'	2273	2157	125.75	149.07	0.08	0.16
4	A'	1046	992	241.03	16.85	0.70	0.83
5	A'	996	945	125.93	18.25	0.75	0.86
6	A'	929	882	78.80	12.81	0.75	0.86
7	A'	858	814	143.26	8.65	0.19	0.32
8	A'	703	667	73.29	6.38	0.68	0.81
9	A"	2268	2151	238.02	62.17	0.75	0.86
10	A"	965	916	98.73	22.29	0.75	0.86
11	A"	739	701	83.72	11.72	0.75	0.86
12	A"	227	215	122.58	2.57	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.031	-0.534	0.000
O2	0.031	1.132	0.000
H3	1.452	-0.938	0.000
H4	-0.646	-1.098	1.199
H5	-0.646	-1.098	-1.199
H6	-0.835	1.561	0.000

	Si1	O2	H3	H4	H5	H6
Si1		1.6661	1.4774	1.4875	1.4875	2.2673
O2	1.6661		2.5107	2.6207	2.6207	0.9661
H3	1.4774	2.5107		2.4215	2.4215	3.3874
H4	1.4875	2.6207	2.4215		2.3974	2.9233
H5	1.4875	2.6207	2.4215	2.3974		2.9233
H6	2.2673	0.9661	3.3874	2.9233	2.9233

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	O2	H6	116.396	O2	Si1	H3	105.853
O2	Si1	H4	112.279	O2	Si1	H5	112.279
H3	Si1	H4	109.514	H3	Si1	H5	109.514
H4	Si1	H5	107.379

All results from a given calculation for SiH₃OH (silanol)

using model chemistry: B2PLYP=FULLultrafine/6-31G*

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	0.634
2	O	-0.739
3	H	-0.092
4	H	-0.115
5	H	-0.115
6	H	0.428

	x	y	z	Total
	-1.514	-0.030	0.000	1.515
CHELPG
AIM
ESP

	x	y	z
x	3.579	-0.127	-0.000
y	-0.127	3.545	-0.000
z	-0.000	-0.000	3.338

<r²>	39.393
(<r²>)^1/2	6.276

All results from a given calculation for SiH3OH (silanol)

using model chemistry: B2PLYP=FULLultrafine/6-31G*

States and conformations

All results from a given calculation for SiH₃OH (silanol)