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	hartrees
Energy at 0K	-490.197079
Energy at 298.15K
HF Energy	-490.197079
Nuclear repulsion energy	115.801974

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	2276	2189	43.86	223.57	0.07	0.13
2	A₁	949	913	106.25	5.40	0.71	0.83
3	A₁	827	795	73.55	7.74	0.10	0.18
4	A₁	289	278	16.84	0.58	0.72	0.84
5	A₂	705	678	0.00	7.12	0.75	0.86
6	B₁	2297	2209	107.43	34.61	0.75	0.86
7	B₁	687	661	110.89	2.71	0.75	0.86
8	B₂	932	896	269.80	0.04	0.75	0.86
9	B₂	864	831	2.88	4.47	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.467
F2	0.000	1.312	-0.503
F3	0.000	-1.312	-0.503
H4	1.258	0.000	1.254
H5	-1.258	0.000	1.254

	Si1	F2	F3	H4	H5
Si1		1.6315	1.6315	1.4840	1.4840
F2	1.6315		2.6238	2.5278	2.5278
F3	1.6315	2.6238		2.5278	2.5278
H4	1.4840	2.5278	2.5278		2.5166
H5	1.4840	2.5278	2.5278	2.5166

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	F3	107.046	F2	Si1	H4	108.369
F2	Si1	H5	108.369	F3	Si1	H4	108.369
F3	Si1	H5	108.369	H4	Si1	H5	115.977

All results from a given calculation for SiH₂F₂ (difluorosilane)

using model chemistry: PBE1PBE/aug-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	0.816
2	F	-0.577
3	F	-0.577
4	H	0.169
5	H	0.169

	x	y	z	Total
	0.000	0.000	1.916	1.916
CHELPG
AIM
ESP

<r²>	60.092
(<r²>)^1/2	7.752

All results from a given calculation for SiH2F2 (difluorosilane)

using model chemistry: PBE1PBE/aug-cc-pVDZ

States and conformations

All results from a given calculation for SiH₂F₂ (difluorosilane)