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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	-487.791778
Energy at 298.15K
HF Energy	-487.791778
Nuclear repulsion energy	96.680218

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	851	768	138.33	5.78	0.44	0.61
2	A₁	337	304	31.66	0.80	0.49	0.66
3	B₂	854	771	138.96	5.46	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.628
F2	1.251	-0.488
F3	-1.251	-0.488

	Si1	F2	F3
Si1		1.6764	1.6764
F2	1.6764		2.5017
F3	1.6764	2.5017

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

using model chemistry: HF/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	-487.698925
Energy at 298.15K	-487.579124
HF Energy	-487.698925
Nuclear repulsion energy	94.486323

Number	Element	Mulliken
1	Si	1.217
2	F	-0.608
3	F	-0.608

	x	y	z	Total
	0.000	0.000	2.865	2.865
CHELPG
AIM
ESP

<r²>	52.716
(<r²>)^1/2	7.261

Number	Element	Mulliken
1	Si	1.135
2	F	-0.568
3	F	-0.568

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

using model chemistry: HF/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)