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	hartrees
Energy at 0K	-367.029075
Energy at 298.15K
HF Energy	-366.903516
Nuclear repulsion energy	64.473473

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'	3896	3896	88.87	85.89	0.17	0.29
2	A'	2292	2292	102.43	130.86	0.17	0.29
3	A'	2247	2247	94.16	240.16	0.05	0.09
4	A'	1004	1004	183.00	2.14	0.74	0.85
5	A'	986	986	102.83	4.49	0.74	0.85
6	A'	908	908	27.05	6.27	0.32	0.49
7	A'	840	840	175.75	7.34	0.18	0.31
8	A'	690	690	64.34	2.62	0.62	0.76
9	A"	2242	2242	170.38	60.58	0.75	0.86
10	A"	968	968	76.13	5.69	0.75	0.86
11	A"	723	723	62.57	4.42	0.75	0.86
12	A"	194	194	97.21	0.55	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.030	-0.536	0.000
O2	0.030	1.127	0.000
H3	1.450	-0.932	0.000
H4	-0.649	-1.079	1.200
H5	-0.649	-1.079	-1.200
H6	-0.815	1.578	0.000

	Si1	O2	H3	H4	H5	H6
Si1		1.6622	1.4743	1.4823	1.4823	2.2764
O2	1.6622		2.5011	2.6014	2.6014	0.9583
H3	1.4743	2.5011		2.4222	2.4222	3.3813
H4	1.4823	2.6014	2.4222		2.4006	2.9206
H5	1.4823	2.6014	2.4222	2.4006		2.9206
H6	2.2764	0.9583	3.3813	2.9206	2.9206

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	O2	H6	118.110	O2	Si1	H3	105.614
O2	Si1	H4	111.518	O2	Si1	H5	111.518
H3	Si1	H4	110.020	H3	Si1	H5	110.020
H4	Si1	H5	108.147

All results from a given calculation for SiH₃OH (silanol)

using model chemistry: B2PLYP/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	1.186
2	O	-0.070
3	H	-0.344
4	H	-0.353
5	H	-0.353
6	H	-0.066

	x	y	z	Total
	-1.284	-0.043	0.000	1.284
CHELPG
AIM
ESP

	x	y	z
x	4.910	-0.031	-0.001
y	-0.031	5.037	-0.001
z	-0.001	-0.001	4.856

<r²>	39.524
(<r²>)^1/2	6.287

All results from a given calculation for SiH3OH (silanol)

using model chemistry: B2PLYP/daug-cc-pVTZ

States and conformations

All results from a given calculation for SiH₃OH (silanol)