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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	-489.157089
Energy at 298.15K
HF Energy	-489.157089
Nuclear repulsion energy	93.821506

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	741	736	64.04	7.75	0.39	0.56
2	A₁	270	268	14.09	1.49	0.62	0.77
3	B₂	761	755	75.35	8.00	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.633
F2	1.304	-0.493
F3	-1.304	-0.493

	Si1	F2	F3
Si1		1.7232	1.7232
F2	1.7232		2.6084
F3	1.7232	2.6084

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

using model chemistry: BLYP/6-31G

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	-489.038734
Energy at 298.15K	-488.918775
HF Energy	-489.038734
Nuclear repulsion energy	91.295656

Number	Element	Mulliken
1	Si	0.799
2	F	-0.399
3	F	-0.399

	x	y	z	Total
	0.000	0.000	1.937	1.937
CHELPG
AIM
ESP

<r²>	55.072
(<r²>)^1/2	7.421

Number	Element	Mulliken
1	Si	0.708
2	F	-0.354
3	F	-0.354

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

using model chemistry: BLYP/6-31G

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)