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	hartrees
Energy at 0K	-367.230292
Energy at 298.15K
HF Energy	-367.230292
Nuclear repulsion energy	64.569104

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'	3858	3858	78.34	87.96	0.19	0.32
2	A'	2279	2279	95.18	136.64	0.15	0.26
3	A'	2233	2233	95.08	226.56	0.05	0.10
4	A'	998	998	180.02	1.59	0.75	0.86
5	A'	978	978	92.96	4.66	0.73	0.84
6	A'	906	906	22.72	6.81	0.31	0.47
7	A'	834	834	166.89	6.53	0.21	0.35
8	A'	681	681	65.39	2.43	0.61	0.76
9	A"	2226	2226	165.42	60.42	0.75	0.86
10	A"	960	960	69.49	5.58	0.75	0.86
11	A"	716	716	59.86	4.47	0.75	0.86
12	A"	201	201	94.07	0.63	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.030	-0.534	0.000
O2	0.030	1.123	0.000
H3	1.452	-0.926	0.000
H4	-0.648	-1.080	1.201
H5	-0.648	-1.080	-1.201
H6	-0.817	1.575	0.000

	Si1	O2	H3	H4	H5	H6
Si1		1.6573	1.4753	1.4836	1.4836	2.2728
O2	1.6573		2.4947	2.5998	2.5998	0.9603
H3	1.4753	2.4947		2.4244	2.4244	3.3775
H4	1.4836	2.5998	2.4244		2.4022	2.9192
H5	1.4836	2.5998	2.4244	2.4022		2.9192
H6	2.2728	0.9603	3.3775	2.9192	2.9192

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	O2	H6	118.048	O2	Si1	H3	105.422
O2	Si1	H4	111.612	O2	Si1	H5	111.612
H3	Si1	H4	110.038	H3	Si1	H5	110.038
H4	Si1	H5	108.112

All results from a given calculation for SiH₃OH (silanol)

using model chemistry: TPSSh/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	0.662
2	O	-0.597
3	H	-0.105
4	H	-0.119
5	H	-0.119
6	H	0.279

	x	y	z	Total
	-1.268	0.050	0.000	1.269
CHELPG
AIM
ESP

	x	y	z
x	4.943	-0.035	0.000
y	-0.035	5.089	0.000
z	0.000	0.000	4.886

<r²>	39.265
(<r²>)^1/2	6.266

All results from a given calculation for SiH3OH (silanol)

using model chemistry: TPSSh/aug-cc-pVQZ

States and conformations

All results from a given calculation for SiH₃OH (silanol)