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	hartrees
Energy at 0K	-490.534251
Energy at 298.15K
HF Energy	-490.534251
Nuclear repulsion energy	115.447900

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	2269	2202	45.47	224.72	0.07	0.13
2	A₁	956	928	107.83	5.88	0.72	0.84
3	A₁	814	790	77.30	8.05	0.09	0.17
4	A₁	288	279	16.80	0.62	0.72	0.84
5	A₂	709	688	0.00	7.36	0.75	0.86
6	B₁	2290	2223	112.31	36.16	0.75	0.86
7	B₁	689	669	112.14	2.81	0.75	0.86
8	B₂	927	900	264.21	0.03	0.75	0.86
9	B₂	858	833	16.88	4.69	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.469
F2	0.000	1.317	-0.504
F3	0.000	-1.317	-0.504
H4	1.255	0.000	1.253
H5	-1.255	0.000	1.253

	Si1	F2	F3	H4	H5
Si1		1.6377	1.6377	1.4803	1.4803
F2	1.6377		2.6348	2.5297	2.5297
F3	1.6377	2.6348		2.5297	2.5297
H4	1.4803	2.5297	2.5297		2.5108
H5	1.4803	2.5297	2.5297	2.5108

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	F3	107.112	F2	Si1	H4	108.348
F2	Si1	H5	108.348	F3	Si1	H4	108.348
F3	Si1	H5	108.348	H4	Si1	H5	116.002

All results from a given calculation for SiH₂F₂ (difluorosilane)

using model chemistry: B3LYPultrafine/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	0.599
2	F	-0.574
3	F	-0.574
4	H	0.275
5	H	0.275

	x	y	z	Total
	0.000	0.000	1.949	1.949
CHELPG
AIM
ESP

<r²>	60.515
(<r²>)^1/2	7.779

All results from a given calculation for SiH2F2 (difluorosilane)

using model chemistry: B3LYPultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for SiH₂F₂ (difluorosilane)