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	hartrees
Energy at 0K	-366.987740
Energy at 298.15K
HF Energy	-366.987740
Nuclear repulsion energy	64.507581

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'	3935	3935	92.90	81.40	0.18	0.31
2	A'	2258	2258	96.49	128.51	0.18	0.31
3	A'	2211	2211	85.81	251.24	0.05	0.09
4	A'	980	980	164.84	1.56	0.75	0.86
5	A'	961	961	90.22	4.72	0.71	0.83
6	A'	906	906	19.17	7.31	0.34	0.51
7	A'	846	846	179.73	5.84	0.23	0.37
8	A'	678	678	61.49	2.74	0.63	0.77
9	A"	2209	2209	159.73	62.58	0.75	0.86
10	A"	942	942	65.91	5.90	0.75	0.86
11	A"	712	712	61.72	4.68	0.75	0.86
12	A"	188	188	95.85	0.60	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.030	-0.533	0.000
O2	0.030	1.124	0.000
H3	1.457	-0.937	0.000
H4	-0.653	-1.081	1.207
H5	-0.653	-1.081	-1.207
H6	-0.817	1.569	0.000

	Si1	O2	H3	H4	H5	H6
Si1		1.6571	1.4826	1.4910	1.4910	2.2661
O2	1.6571		2.5064	2.6048	2.6048	0.9565
H3	1.4826	2.5064		2.4347	2.4347	3.3832
H4	1.4910	2.6048	2.4347		2.4137	2.9162
H5	1.4910	2.6048	2.4347	2.4137		2.9162
H6	2.2661	0.9565	3.3832	2.9162	2.9162

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	O2	H6	117.712	O2	Si1	H3	105.797
O2	Si1	H4	111.556	O2	Si1	H5	111.556
H3	Si1	H4	109.923	H3	Si1	H5	109.923
H4	Si1	H5	108.078

All results from a given calculation for SiH₃OH (silanol)

using model chemistry: PBE1PBE/daug-cc-pVTZ

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	0.920
2	O	-0.204
3	H	-0.237
4	H	-0.243
5	H	-0.243
6	H	0.007

	x	y	z	Total
	-1.277	0.011	0.000	1.277
CHELPG
AIM
ESP

	x	y	z
x	5.005	-0.031	0.000
y	-0.031	5.078	0.000
z	0.000	0.000	4.951

<r²>	39.368
(<r²>)^1/2	6.274

All results from a given calculation for SiH3OH (silanol)

using model chemistry: PBE1PBE/daug-cc-pVTZ

States and conformations

All results from a given calculation for SiH₃OH (silanol)