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	hartrees
Energy at 0K	-367.183402
Energy at 298.15K
HF Energy	-367.183402
Nuclear repulsion energy	64.817618

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'	3976	3976	92.96	76.85	0.18	0.31
2	A'	2256	2256	87.85	171.16	0.10	0.18
3	A'	2230	2230	112.03	192.27	0.08	0.15
4	A'	999	999	179.83	1.54	0.74	0.85
5	A'	978	978	94.37	4.65	0.73	0.84
6	A'	906	906	11.67	7.33	0.29	0.45
7	A'	845	845	196.47	4.67	0.25	0.40
8	A'	683	683	67.87	2.41	0.63	0.77
9	A"	2218	2218	175.09	58.91	0.75	0.86
10	A"	961	961	71.89	5.45	0.75	0.86
11	A"	724	724	66.28	4.26	0.75	0.86
12	A"	183	183	98.04	0.56	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.030	-0.530	0.000
O2	0.030	1.118	0.000
H3	1.448	-0.940	0.000
H4	-0.652	-1.074	1.201
H5	-0.652	-1.074	-1.201
H6	-0.806	1.575	0.000

	Si1	O2	H3	H4	H5	H6
Si1		1.6480	1.4758	1.4842	1.4842	2.2653
O2	1.6480		2.4987	2.5906	2.5906	0.9532
H3	1.4758	2.4987		2.4227	2.4227	3.3772
H4	1.4842	2.5906	2.4227		2.4015	2.9125
H5	1.4842	2.5906	2.4227	2.4015		2.9125
H6	2.2653	0.9532	3.3772	2.9125	2.9125

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	O2	H6	118.657	O2	Si1	H3	106.107
O2	Si1	H4	111.495	O2	Si1	H5	111.495
H3	Si1	H4	109.867	H3	Si1	H5	109.867
H4	Si1	H5	108.006

All results from a given calculation for SiH₃OH (silanol)

using model chemistry: wB97X-D/aug-cc-pVQZ

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	0.898
2	O	-0.924
3	H	-0.088
4	H	-0.129
5	H	-0.129
6	H	0.373

	x	y	z	Total
	-1.281	0.070	0.000	1.283
CHELPG
AIM
ESP

	x	y	z
x	4.935	-0.033	0.000
y	-0.033	4.987	0.000
z	0.000	0.000	4.883

<r²>	39.072
(<r²>)^1/2	6.251

All results from a given calculation for SiH3OH (silanol)

using model chemistry: wB97X-D/aug-cc-pVQZ

States and conformations

All results from a given calculation for SiH₃OH (silanol)