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	hartrees
Energy at 0K	-367.206220
Energy at 298.15K
HF Energy	-367.206220
Nuclear repulsion energy	64.043352

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'	3877	3735	75.39	86.52	0.27	0.42
2	A'	2258	2175	106.53	127.33	0.24	0.39
3	A'	2205	2124	98.62	206.87	0.08	0.15
4	A'	992	956	206.57	15.87	0.73	0.84
5	A'	968	932	109.38	16.23	0.75	0.86
6	A'	885	852	23.72	11.00	0.72	0.84
7	A'	828	797	186.25	9.19	0.28	0.43
8	A'	674	649	72.40	8.21	0.72	0.84
9	A"	2200	2119	186.40	79.00	0.75	0.86
10	A"	948	913	80.98	21.65	0.75	0.86
11	A"	710	684	76.15	16.91	0.75	0.86
12	A"	203	195	122.13	2.34	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.031	-0.540	0.000
O2	0.031	1.136	0.000
H3	1.456	-0.942	0.000
H4	-0.655	-1.087	1.206
H5	-0.655	-1.087	-1.206
H6	-0.818	1.587	0.000

	Si1	O2	H3	H4	H5	H6
Si1		1.6753	1.4812	1.4909	1.4909	2.2893
O2	1.6753		2.5197	2.6196	2.6196	0.9606
H3	1.4812	2.5197		2.4353	2.4353	3.4006
H4	1.4909	2.6196	2.4353		2.4114	2.9373
H5	1.4909	2.6196	2.4353	2.4114		2.9373
H6	2.2893	0.9606	3.4006	2.9373	2.9373

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	O2	H6	118.013	O2	Si1	H3	105.769
O2	Si1	H4	111.526	O2	Si1	H5	111.526
H3	Si1	H4	110.045	H3	Si1	H5	110.045
H4	Si1	H5	107.935

All results from a given calculation for SiH₃OH (silanol)

using model chemistry: B3LYPultrafine/TZVP

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	0.595
2	O	-0.536
3	H	-0.102
4	H	-0.123
5	H	-0.123
6	H	0.289

	x	y	z	Total
	-1.451	-0.169	0.000	1.461
CHELPG
AIM
ESP

	x	y	z
x	4.342	-0.042	0.000
y	-0.042	4.133	0.000
z	0.000	0.000	4.162

<r²>	39.840
(<r²>)^1/2	6.312

All results from a given calculation for SiH3OH (silanol)

using model chemistry: B3LYPultrafine/TZVP

States and conformations

All results from a given calculation for SiH₃OH (silanol)