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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	-487.562948
Energy at 298.15K	-487.443236
HF Energy	-487.562948
Nuclear repulsion energy	99.830894

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	848	834	114.41
2	A₁	322	317	16.71
3	B₂	867	853	139.80

Atom	y (Å)	z (Å)
Si1	0.000	0.585
F2	1.237	-0.455
F3	-1.237	-0.455

	Si1	F2	F3
Si1		1.6163	1.6163
F2	1.6163		2.4736
F3	1.6163	2.4736

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

using model chemistry: LSDA/6-311G*

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	-487.439548
Energy at 298.15K	-487.319737
HF Energy	-487.439548
Nuclear repulsion energy	98.187027

Number	Element	Mulliken
1	Si	0.707
2	F	-0.354
3	F	-0.354

	x	y	z	Total
	0.000	0.000	1.275	1.275
CHELPG
AIM
ESP

<r²>	50.132
(<r²>)^1/2	7.080

Number	Element	Mulliken
1	Si	0.659
2	F	-0.330
3	F	-0.330

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

using model chemistry: LSDA/6-311G*

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)