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	hartrees
Energy at 0K	-367.044696
Energy at 298.15K
HF Energy	-367.044696
Nuclear repulsion energy	62.632564

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'	3836	3659	57.99	125.08	0.29	0.45
2	A'	2256	2151	135.94	109.05	0.32	0.49
3	A'	2177	2076	121.42	200.80	0.07	0.13
4	A'	985	940	172.60	20.47	0.71	0.83
5	A'	935	892	111.82	25.15	0.75	0.86
6	A'	906	864	42.20	22.60	0.75	0.86
7	A'	730	696	131.44	14.43	0.22	0.36
8	A'	671	640	107.73	8.08	0.72	0.84
9	A"	2183	2082	238.62	82.30	0.75	0.86
10	A"	910	868	74.72	35.41	0.75	0.86
11	A"	680	648	74.85	18.58	0.75	0.86
12	A"	236	225	201.86	3.81	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.028	-0.559	0.000
O2	0.028	1.166	0.000
H3	1.466	-0.946	0.000
H4	-0.653	-1.125	1.215
H5	-0.653	-1.125	-1.215
H6	-0.777	1.698	0.000

	Si1	O2	H3	H4	H5	H6
Si1		1.7250	1.4886	1.5027	1.5027	2.3970
O2	1.7250		2.5545	2.6804	2.6804	0.9655
H3	1.4886	2.5545		2.4483	2.4483	3.4674
H4	1.5027	2.6804	2.4483		2.4291	3.0757
H5	1.5027	2.6804	2.4483	2.4291		3.0757
H6	2.3970	0.9655	3.4674	3.0757	3.0757

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	O2	H6	123.481	O2	Si1	H3	105.052
O2	Si1	H4	112.101	O2	Si1	H5	112.101
H3	Si1	H4	109.862	H3	Si1	H5	109.862
H4	Si1	H5	107.847

All results from a given calculation for SiH₃OH (silanol)

using model chemistry: B1B95/6-31G

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	0.782
2	O	-0.817
3	H	-0.101
4	H	-0.132
5	H	-0.132
6	H	0.399

	x	y	z	Total
	-1.714	-0.603	0.000	1.817
CHELPG
AIM
ESP

	x	y	z
x	3.670	-0.116	0.000
y	-0.116	3.842	0.000
z	0.000	0.000	3.405

<r²>	41.141
(<r²>)^1/2	6.414

All results from a given calculation for SiH3OH (silanol)

using model chemistry: B1B95/6-31G

States and conformations

All results from a given calculation for SiH₃OH (silanol)