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	hartrees
Energy at 0K	-367.122253
Energy at 298.15K
HF Energy	-367.122253
Nuclear repulsion energy	64.104387

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'	3911	3771	79.86	82.21	0.26	0.42
2	A'	2255	2175	104.51	124.58	0.26	0.41
3	A'	2202	2124	94.48	211.62	0.08	0.14
4	A'	983	948	198.10	15.54	0.73	0.84
5	A'	960	926	103.96	15.97	0.75	0.86
6	A'	886	855	17.86	11.74	0.71	0.83
7	A'	833	803	187.13	9.04	0.30	0.46
8	A'	669	645	71.73	8.06	0.73	0.84
9	A"	2199	2120	180.50	79.71	0.75	0.86
10	A"	940	907	75.73	21.93	0.75	0.86
11	A"	708	682	75.34	16.69	0.75	0.86
12	A"	200	192	121.09	2.16	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.031	-0.538	0.000
O2	0.031	1.134	0.000
H3	1.459	-0.943	0.000
H4	-0.657	-1.087	1.208
H5	-0.657	-1.087	-1.208
H6	-0.820	1.576	0.000

	Si1	O2	H3	H4	H5	H6
Si1		1.6719	1.4845	1.4942	1.4942	2.2785
O2	1.6719		2.5203	2.6197	2.6197	0.9589
H3	1.4845	2.5203		2.4404	2.4404	3.3966
H4	1.4942	2.6197	2.4404		2.4161	2.9282
H5	1.4942	2.6197	2.4404	2.4161		2.9282
H6	2.2785	0.9589	3.3966	2.9282	2.9282

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	O2	H6	117.428	O2	Si1	H3	105.819
O2	Si1	H4	111.544	O2	Si1	H5	111.544
H3	Si1	H4	110.023	H3	Si1	H5	110.023
H4	Si1	H5	107.895

All results from a given calculation for SiH₃OH (silanol)

using model chemistry: B3PW91/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	0.524
2	O	-0.525
3	H	-0.083
4	H	-0.104
5	H	-0.104
6	H	0.292

	x	y	z	Total
	-1.450	-0.150	0.000	1.458
CHELPG
AIM
ESP

	x	y	z
x	4.341	-0.032	0.000
y	-0.032	4.127	0.000
z	0.000	0.000	4.169

<r²>	39.648
(<r²>)^1/2	6.297

All results from a given calculation for SiH3OH (silanol)

using model chemistry: B3PW91/TZVP

States and conformations

All results from a given calculation for SiH₃OH (silanol)