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	hartrees
Energy at 0K	-490.526166
Energy at 298.15K
HF Energy	-490.526166
Nuclear repulsion energy	115.431956

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	2294	2219	46.98	216.74	0.07	0.12
2	A₁	961	929	107.73	5.33	0.72	0.83
3	A₁	815	789	71.89	8.38	0.09	0.16
4	A₁	285	275	15.90	0.66	0.72	0.84
5	A₂	710	687	0.00	6.80	0.75	0.86
6	B₁	2314	2238	114.03	35.26	0.75	0.86
7	B₁	686	664	107.13	2.62	0.75	0.86
8	B₂	931	901	264.10	0.00	0.75	0.86
9	B₂	860	832	13.11	4.47	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Si1	0.000	0.000	0.469
F2	0.000	1.318	-0.504
F3	0.000	-1.318	-0.504
H4	1.254	0.000	1.254
H5	-1.254	0.000	1.254

	Si1	F2	F3	H4	H5
Si1		1.6380	1.6380	1.4792	1.4792
F2	1.6380		2.6358	2.5295	2.5295
F3	1.6380	2.6358		2.5295	2.5295
H4	1.4792	2.5295	2.5295		2.5074
H5	1.4792	2.5295	2.5295	2.5074

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Si1	F3	107.134	F2	Si1	H4	108.373
F2	Si1	H5	108.373	F3	Si1	H4	108.373
F3	Si1	H5	108.373	H4	Si1	H5	115.889

All results from a given calculation for SiH₂F₂ (difluorosilane)

using model chemistry: TPSSh/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	0.890
2	F	-0.548
3	F	-0.548
4	H	0.103
5	H	0.103

	x	y	z	Total
	0.000	0.000	1.858	1.858
CHELPG
AIM
ESP

<r²>	60.393
(<r²>)^1/2	7.771

All results from a given calculation for SiH2F2 (difluorosilane)

using model chemistry: TPSSh/aug-cc-pVDZ

States and conformations

All results from a given calculation for SiH₂F₂ (difluorosilane)