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	hartrees
Energy at 0K	-367.236148
Energy at 298.15K
HF Energy	-367.236148
Nuclear repulsion energy	64.642250

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'	3890	3769	87.92	82.42	0.22	0.36
2	A'	2265	2194	99.40	136.40	0.17	0.29
3	A'	2219	2149	99.75	208.17	0.07	0.13
4	A'	1003	971	185.33	2.63	0.74	0.85
5	A'	977	947	95.68	7.20	0.75	0.86
6	A'	904	876	17.96	6.73	0.44	0.61
7	A'	836	810	181.69	5.90	0.24	0.39
8	A'	688	667	66.38	3.19	0.67	0.80
9	A"	2211	2142	175.58	63.97	0.75	0.86
10	A"	959	929	75.35	8.36	0.75	0.86
11	A"	724	701	63.89	6.50	0.75	0.86
12	A"	198	191	99.68	0.97	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.030	-0.533	0.000
O2	0.030	1.121	0.000
H3	1.450	-0.933	0.000
H4	-0.649	-1.079	1.200
H5	-0.649	-1.079	-1.200
H6	-0.808	1.585	0.000

	Si1	O2	H3	H4	H5	H6
Si1		1.6544	1.4750	1.4833	1.4833	2.2775
O2	1.6544		2.4970	2.5970	2.5970	0.9575
H3	1.4750	2.4970		2.4220	2.4220	3.3815
H4	1.4833	2.5970	2.4220		2.4009	2.9263
H5	1.4833	2.5970	2.4220	2.4009		2.9263
H6	2.2775	0.9575	3.3815	2.9263	2.9263

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	O2	H6	118.939	O2	Si1	H3	105.723
O2	Si1	H4	111.611	O2	Si1	H5	111.611
H3	Si1	H4	109.913	H3	Si1	H5	109.913
H4	Si1	H5	108.063

All results from a given calculation for SiH₃OH (silanol)

using model chemistry: B3LYP/cc-pVQZ

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	0.511
2	O	-0.522
3	H	-0.056
4	H	-0.079
5	H	-0.079
6	H	0.226

	x	y	z	Total
	-1.284	0.080	0.000	1.286
CHELPG
AIM
ESP

	x	y	z
x	4.770	-0.052	0.000
y	-0.052	4.780	0.000
z	0.000	0.000	4.680

<r²>	39.309
(<r²>)^1/2	6.270

All results from a given calculation for SiH3OH (silanol)

using model chemistry: B3LYP/cc-pVQZ

States and conformations

All results from a given calculation for SiH₃OH (silanol)