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	hartrees
Energy at 0K	-490.406616
Energy at 298.15K
HF Energy	-490.406616
Nuclear repulsion energy	115.655770

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	2268	2268	46.18	223.57	0.07	0.12
2	A₁	949	949	103.79	5.35	0.72	0.84
3	A₁	819	819	73.19	8.10	0.08	0.15
4	A₁	287	287	16.75	0.57	0.72	0.84
5	A₂	703	703	0.00	7.23	0.75	0.86
6	B₁	2289	2289	114.15	35.57	0.75	0.86
7	B₁	684	684	108.86	2.69	0.75	0.86
8	B₂	927	927	264.60	0.00	0.75	0.86
9	B₂	860	860	5.97	4.28	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.466
F2	0.000	1.316	-0.502
F3	0.000	-1.316	-0.502
H4	1.256	0.000	1.254
H5	-1.256	0.000	1.254

	Si1	F2	F3	H4	H5
Si1		1.6336	1.6336	1.4829	1.4829
F2	1.6336		2.6318	2.5284	2.5284
F3	1.6336	2.6318		2.5284	2.5284
H4	1.4829	2.5284	2.5284		2.5125
H5	1.4829	2.5284	2.5284	2.5125

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	F3	107.326	F2	Si1	H4	108.351
F2	Si1	H5	108.351	F3	Si1	H4	108.351
F3	Si1	H5	108.351	H4	Si1	H5	115.807

All results from a given calculation for SiH₂F₂ (difluorosilane)

using model chemistry: B3PW91/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	0.653
2	F	-0.560
3	F	-0.560
4	H	0.234
5	H	0.234

	x	y	z	Total
	0.000	0.000	1.897	1.897
CHELPG
AIM
ESP

<r²>	60.228
(<r²>)^1/2	7.761

All results from a given calculation for SiH2F2 (difluorosilane)

using model chemistry: B3PW91/daug-cc-pVDZ

States and conformations

All results from a given calculation for SiH₂F₂ (difluorosilane)