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	hartrees
Energy at 0K	-391.265380
Energy at 298.15K
HF Energy	-391.265380
Nuclear repulsion energy	62.851248

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	2263	2263	32.09	301.19	0.03	0.05
2	A₁	989	989	183.01	0.90	0.75	0.86
3	A₁	857	857	69.28	5.62	0.28	0.43
4	E	2270	2270	131.63	49.84	0.75	0.86
4	E	2270	2270	131.69	49.78	0.75	0.86
5	E	968	968	79.60	5.27	0.75	0.86
5	E	968	968	79.62	5.27	0.75	0.86
6	E	722	722	51.67	5.11	0.75	0.86
6	E	722	722	51.67	5.08	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.504
F2	0.000	0.000	-1.105
H3	0.000	1.404	0.966
H4	-1.216	-0.702	0.966
H5	1.216	-0.702	0.966

	Si1	F2	H3	H4	H5
Si1		1.6087	1.4777	1.4777	1.4777
F2	1.6087		2.5016	2.5016	2.5016
H3	1.4777	2.5016		2.4312	2.4312
H4	1.4777	2.5016	2.4312		2.4312
H5	1.4777	2.5016	2.4312	2.4312

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	108.217	F2	Si1	H4	108.217
F2	Si1	H5	108.217	H3	Si1	H4	110.696
H3	Si1	H5	110.696	H4	Si1	H5	110.696

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: TPSSh/aug-cc-pCVTZ

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	1.131
2	F	-0.678
3	H	-0.151
4	H	-0.151
5	H	-0.151

	x	y	z	Total
	0.000	0.000	1.286	1.286
CHELPG
AIM
ESP

<r²>	35.827
(<r²>)^1/2	5.986

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: TPSSh/aug-cc-pCVTZ

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)