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	hartrees
Energy at 0K	-366.931963
Energy at 298.15K
HF Energy	-366.931963
Nuclear repulsion energy	63.646978

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'	3891	3741	83.64	80.88	0.28	0.43
2	A'	2251	2164	99.87	113.91	0.27	0.43
3	A'	2198	2113	84.90	197.71	0.08	0.14
4	A'	992	954	172.88	10.12	0.71	0.83
5	A'	948	912	98.56	15.20	0.75	0.86
6	A'	914	879	62.05	13.88	0.75	0.85
7	A'	836	804	111.92	8.23	0.25	0.40
8	A'	683	657	62.74	7.20	0.71	0.83
9	A"	2196	2112	169.92	72.90	0.75	0.86
10	A"	925	890	70.44	21.09	0.75	0.86
11	A"	708	681	67.63	13.75	0.75	0.86
12	A"	223	215	105.49	2.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.031	-0.542	0.000
O2	0.031	1.146	0.000
H3	1.470	-0.934	0.000
H4	-0.653	-1.101	1.215
H5	-0.653	-1.101	-1.215
H6	-0.844	1.550	0.000

	Si1	O2	H3	H4	H5	H6
Si1		1.6880	1.4921	1.5017	1.5017	2.2675
O2	1.6880		2.5297	2.6441	2.6441	0.9636
H3	1.4921	2.5297		2.4517	2.4517	3.3952
H4	1.5017	2.6441	2.4517		2.4294	2.9222
H5	1.5017	2.6441	2.4517	2.4294		2.9222
H6	2.2675	0.9636	3.3952	2.9222	2.9222

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	O2	H6	114.785	O2	Si1	H3	105.236
O2	Si1	H4	111.852	O2	Si1	H5	111.852
H3	Si1	H4	109.959	H3	Si1	H5	109.959
H4	Si1	H5	107.974

All results from a given calculation for SiH₃OH (silanol)

using model chemistry: PBE1PBE/cc-pVDZ

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	0.412
2	O	-0.372
3	H	-0.056
4	H	-0.078
5	H	-0.078
6	H	0.172

	x	y	z	Total
	-1.361	-0.064	0.000	1.363
CHELPG
AIM
ESP

	x	y	z
x	4.224	-0.089	0.000
y	-0.089	4.064	0.000
z	0.000	0.000	4.015

<r²>	39.898
(<r²>)^1/2	6.316

All results from a given calculation for SiH3OH (silanol)

using model chemistry: PBE1PBE/cc-pVDZ

States and conformations

All results from a given calculation for SiH₃OH (silanol)