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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	-487.599089
Energy at 298.15K	-487.479380
HF Energy	-487.599089
Nuclear repulsion energy	100.213172

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	843	834	110.97
2	A₁	323	320	14.22
3	B₂	861	851	145.25

Atom	y (Å)	z (Å)
Si1	0.000	0.582
F2	1.233	-0.453
F3	-1.233	-0.453

	Si1	F2	F3
Si1		1.6099	1.6099
F2	1.6099		2.4665
F3	1.6099	2.4665

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

using model chemistry: LSDA/cc-pVTZ

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	-487.477604
Energy at 298.15K	-487.357807
HF Energy	-487.477604
Nuclear repulsion energy	98.883551

Number	Element	Mulliken
1	Si	0.423
2	F	-0.212
3	F	-0.212

	x	y	z	Total
	0.000	0.000	1.068	1.068
CHELPG
AIM
ESP

<r²>	49.866
(<r²>)^1/2	7.062

Number	Element	Mulliken
1	Si	0.389
2	F	-0.194
3	F	-0.194

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

using model chemistry: LSDA/cc-pVTZ

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)