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	hartrees
Energy at 0K	-366.952705
Energy at 298.15K
HF Energy	-366.952705
Nuclear repulsion energy	64.127207

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'	3803	3803	75.93	85.14	0.21	0.35
2	A'	2199	2199	91.86	123.13	0.22	0.36
3	A'	2147	2147	83.43	233.77	0.06	0.11
4	A'	953	953	155.19	2.16	0.75	0.86
5	A'	932	932	79.95	6.86	0.73	0.84
6	A'	885	885	28.76	7.35	0.47	0.64
7	A'	807	807	149.42	8.98	0.20	0.33
8	A'	659	659	58.16	3.73	0.67	0.80
9	A"	2146	2146	153.72	70.89	0.75	0.86
10	A"	913	913	58.03	8.50	0.75	0.86
11	A"	684	684	51.90	6.77	0.75	0.86
12	A"	188	188	92.26	0.56	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.030	-0.536	0.000
O2	0.030	1.131	0.000
H3	1.466	-0.929	0.000
H4	-0.651	-1.093	1.212
H5	-0.651	-1.093	-1.212
H6	-0.830	1.572	0.000

	Si1	O2	H3	H4	H5	H6
Si1		1.6675	1.4888	1.4978	1.4978	2.2772
O2	1.6675		2.5112	2.6229	2.6229	0.9663
H3	1.4888	2.5112		2.4455	2.4455	3.3952
H4	1.4978	2.6229	2.4455		2.4242	2.9333
H5	1.4978	2.6229	2.4455	2.4242		2.9333
H6	2.2772	0.9663	3.3952	2.9333	2.9333

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	O2	H6	117.164	O2	Si1	H3	105.287
O2	Si1	H4	111.810	O2	Si1	H5	111.810
H3	Si1	H4	109.937	H3	Si1	H5	109.937
H4	Si1	H5	108.048

All results from a given calculation for SiH₃OH (silanol)

using model chemistry: PBEPBEultrafine/6-311+G(3df,2p)

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	0.509
2	O	-0.501
3	H	-0.070
4	H	-0.074
5	H	-0.074
6	H	0.209

	x	y	z	Total
	-1.277	0.056	0.000	1.278
CHELPG
AIM
ESP

	x	y	z
x	5.042	-0.007	0.000
y	-0.007	5.196	0.000
z	0.000	0.000	5.023

<r²>	39.757
(<r²>)^1/2	6.305

All results from a given calculation for SiH3OH (silanol)

using model chemistry: PBEPBEultrafine/6-311+G(3df,2p)

States and conformations

All results from a given calculation for SiH₃OH (silanol)