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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	-487.495388
Energy at 298.15K	-487.375649
HF Energy	-487.495388
Nuclear repulsion energy	99.171186

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	829	817	133.28
2	A₁	309	305	16.25
3	B₂	846	833	178.14

Atom	y (Å)	z (Å)
Si1	0.000	0.589
F2	1.245	-0.458
F3	-1.245	-0.458

	Si1	F2	F3
Si1		1.6271	1.6271
F2	1.6271		2.4901
F3	1.6271	2.4901

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

using model chemistry: LSDA/6-31+G**

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	-487.373658
Energy at 298.15K	-487.253841
HF Energy	-487.373658
Nuclear repulsion energy	97.910985

Number	Element	Mulliken
1	Si	0.500
2	F	-0.250
3	F	-0.250

	x	y	z	Total
	0.000	0.000	1.440	1.440
CHELPG
AIM
ESP

<r²>	50.891
(<r²>)^1/2	7.134

Number	Element	Mulliken
1	Si	0.450
2	F	-0.225
3	F	-0.225

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

using model chemistry: LSDA/6-31+G**

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)