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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C2V	¹A₁
2	1	yes	C2V	³B₁

	hartrees
Energy at 0K	-487.496105
Energy at 298.15K	-487.376418
HF Energy	-487.496105
Nuclear repulsion energy	101.194255

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	874	860	88.27
2	A₁	329	323	13.37
3	B₂	908	894	109.33

Atom	y (Å)	z (Å)
Si1	0.000	0.572
F2	1.226	-0.445
F3	-1.226	-0.445

	Si1	F2	F3
Si1		1.5930	1.5930
F2	1.5930		2.4519
F3	1.5930	2.4519

All results from a given calculation for SiF₂ (Silicon difluoride)

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

States and conformations

State 1 (¹A₁)

State 2 (³B₁)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Calculated > Energy > Optimized > Energy

	hartrees
Energy at 0K	-487.373414
Energy at 298.15K	-487.253635
HF Energy	-487.373414
Nuclear repulsion energy	99.732560

Number	Element	Mulliken
1	Si	0.159
2	F	-0.079
3	F	-0.079

	x	y	z	Total
	0.000	0.000	0.677	0.677
CHELPG
AIM
ESP

<r²>	49.034
(<r²>)^1/2	7.002

Number	Element	Mulliken
1	Si	0.151
2	F	-0.075
3	F	-0.075

All results from a given calculation for SiF2 (Silicon difluoride)

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

States and conformations

State 1 (1A1)

State 2 (3B1)

All results from a given calculation for SiF₂ (Silicon difluoride)

State 1 (¹A₁)

State 2 (³B₁)