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	hartrees
Energy at 0K	-390.999319
Energy at 298.15K
HF Energy	-390.890884
Nuclear repulsion energy	61.619306

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	2267	2267	31.10	318.76	0.03	0.05
2	A₁	979	979	176.57	1.35	0.75	0.85
3	A₁	823	823	82.08	6.28	0.24	0.39
4	E	2280	2280	125.03	53.32	0.75	0.86
4	E	2280	2280	125.10	53.46	0.75	0.86
5	E	964	964	83.39	6.50	0.75	0.86
5	E	964	964	83.38	6.25	0.75	0.86
6	E	715	715	50.01	5.52	0.75	0.86
6	E	715	715	50.00	5.49	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.520
F2	0.000	0.000	-1.133
H3	0.000	1.413	0.971
H4	-1.224	-0.706	0.971
H5	1.224	-0.706	0.971

	Si1	F2	H3	H4	H5
Si1		1.6526	1.4832	1.4832	1.4832
F2	1.6526		2.5339	2.5339	2.5339
H3	1.4832	2.5339		2.4473	2.4473
H4	1.4832	2.5339	2.4473		2.4473
H5	1.4832	2.5339	2.4473	2.4473

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	H3	107.696	F2	Si1	H4	107.696
F2	Si1	H5	107.696	H3	Si1	H4	111.187
H3	Si1	H5	111.187	H4	Si1	H5	111.187

All results from a given calculation for SiH₃F (monofluorosilane)

using model chemistry: B2PLYP=FULLultrafine/daug-cc-pVDZ

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	-0.214
2	F	-0.676
3	H	0.297
4	H	0.297
5	H	0.297

	x	y	z	Total
	0.000	0.000	1.667	1.667
CHELPG
AIM
ESP

	x	y	z
x	4.387	0.000	0.000
y	0.000	4.387	-0.000
z	0.000	-0.000	4.119

<r²>	36.958
(<r²>)^1/2	6.079

All results from a given calculation for SiH3F (monofluorosilane)

using model chemistry: B2PLYP=FULLultrafine/daug-cc-pVDZ

States and conformations

All results from a given calculation for SiH₃F (monofluorosilane)