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	hartrees
Energy at 0K	-490.177776
Energy at 298.15K
HF Energy	-490.177776
Nuclear repulsion energy	118.807278

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	2279	2181	56.09	136.24	0.10	0.18
2	A₁	982	940	132.56	9.74	0.61	0.76
3	A₁	877	840	42.25	5.22	0.16	0.28
4	A₁	319	306	15.50	0.46	0.74	0.85
5	A₂	728	697	0.00	8.74	0.75	0.86
6	B₁	2285	2187	144.78	31.38	0.75	0.86
7	B₁	710	680	122.29	3.80	0.75	0.86
8	B₂	1008	964	254.33	0.02	0.75	0.86
9	B₂	902	863	6.86	5.11	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.445
F2	0.000	1.282	-0.485
F3	0.000	-1.282	-0.485
H4	1.241	0.000	1.248
H5	-1.241	0.000	1.248

	Si1	F2	F3	H4	H5
Si1		1.5839	1.5839	1.4782	1.4782
F2	1.5839		2.5641	2.4872	2.4872
F3	1.5839	2.5641		2.4872	2.4872
H4	1.4782	2.4872	2.4872		2.4827
H5	1.4782	2.4872	2.4872	2.4827

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	F3	108.085	F2	Si1	H4	108.590
F2	Si1	H5	108.590	F3	Si1	H4	108.590
F3	Si1	H5	108.590	H4	Si1	H5	114.234

All results from a given calculation for SiH₂F₂ (difluorosilane)

using model chemistry: PBE1PBE/6-31G(2df,p)

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	0.401
2	F	-0.207
3	F	-0.207
4	H	0.007
5	H	0.007

	x	y	z	Total
	0.000	0.000	1.279	1.279
CHELPG
AIM
ESP

<r²>	57.431
(<r²>)^1/2	7.578

All results from a given calculation for SiH2F2 (difluorosilane)

using model chemistry: PBE1PBE/6-31G(2df,p)

States and conformations

All results from a given calculation for SiH₂F₂ (difluorosilane)