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	hartrees
Energy at 0K	-490.166527
Energy at 298.15K
HF Energy	-490.166527
Nuclear repulsion energy	114.403079

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	2201	2188	43.07	238.08	0.07	0.14
2	A₁	913	908	94.99	6.35	0.70	0.82
3	A₁	786	781	67.00	10.01	0.09	0.17
4	A₁	275	273	14.55	0.79	0.72	0.84
5	A₂	676	672	0.00	8.12	0.75	0.86
6	B₁	2227	2214	106.64	40.10	0.75	0.86
7	B₁	658	654	94.57	3.25	0.75	0.86
8	B₂	892	886	245.67	0.04	0.75	0.86
9	B₂	825	820	5.98	5.16	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.471
F2	0.000	1.332	-0.507
F3	0.000	-1.332	-0.507
H4	1.270	0.000	1.260
H5	-1.270	0.000	1.260

	Si1	F2	F3	H4	H5
Si1		1.6520	1.6520	1.4950	1.4950
F2	1.6520		2.6632	2.5507	2.5507
F3	1.6520	2.6632		2.5507	2.5507
H4	1.4950	2.5507	2.5507		2.5407
H5	1.4950	2.5507	2.5507	2.5407

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	F3	107.419	F2	Si1	H4	108.184
F2	Si1	H5	108.184	F3	Si1	H4	108.184
F3	Si1	H5	108.184	H4	Si1	H5	116.358

All results from a given calculation for SiH₂F₂ (difluorosilane)

using model chemistry: PBEPBEultrafine/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	0.468
2	F	-0.508
3	F	-0.508
4	H	0.274
5	H	0.274

	x	y	z	Total
	0.000	0.000	1.867	1.867
CHELPG
AIM
ESP

<r²>	61.390
(<r²>)^1/2	7.835

All results from a given calculation for SiH2F2 (difluorosilane)

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for SiH₂F₂ (difluorosilane)