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	hartrees
Energy at 0K	-366.945793
Energy at 298.15K
HF Energy	-366.844880
Nuclear repulsion energy	63.672194

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'	3866	3704	77.23	83.82	0.27	0.43
2	A'	2279	2183	104.11	113.32	0.26	0.41
3	A'	2228	2135	92.14	187.92	0.08	0.15
4	A'	1019	977	207.23	11.28	0.73	0.84
5	A'	973	932	103.92	17.04	0.75	0.86
6	A'	922	884	63.48	11.19	0.75	0.85
7	A'	834	799	111.30	8.88	0.22	0.37
8	A'	696	667	67.68	7.15	0.71	0.83
9	A"	2224	2131	179.42	71.15	0.75	0.86
10	A"	950	910	82.57	20.87	0.75	0.86
11	A"	722	692	72.35	13.73	0.75	0.86
12	A"	230	221	105.70	2.71	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.031	-0.543	0.000
O2	0.031	1.148	0.000
H3	1.463	-0.933	0.000
H4	-0.648	-1.101	1.207
H5	-0.648	-1.101	-1.207
H6	-0.844	1.555	0.000

	Si1	O2	H3	H4	H5	H6
Si1		1.6904	1.4842	1.4936	1.4936	2.2727
O2	1.6904		2.5257	2.6412	2.6412	0.9650
H3	1.4842	2.5257		2.4381	2.4381	3.3926
H4	1.4936	2.6412	2.4381		2.4149	2.9239
H5	1.4936	2.6412	2.4381	2.4149		2.9239
H6	2.2727	0.9650	3.3926	2.9239	2.9239

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	O2	H6	114.954	O2	Si1	H3	105.233
O2	Si1	H4	111.945	O2	Si1	H5	111.945
H3	Si1	H4	109.913	H3	Si1	H5	109.913
H4	Si1	H5	107.880

All results from a given calculation for SiH₃OH (silanol)

using model chemistry: B2PLYP=FULLultrafine/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	0.531
2	O	-0.385
3	H	-0.090
4	H	-0.113
5	H	-0.113
6	H	0.170

	x	y	z	Total
	-1.372	-0.053	0.000	1.373
CHELPG
AIM
ESP

	x	y	z
x	4.114	-0.097	-0.001
y	-0.097	4.015	-0.001
z	-0.001	-0.001	3.894

<r²>	40.016
(<r²>)^1/2	6.326

All results from a given calculation for SiH3OH (silanol)

using model chemistry: B2PLYP=FULLultrafine/cc-pVDZ

States and conformations

All results from a given calculation for SiH₃OH (silanol)