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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	-487.884672
Energy at 298.15K	-487.765052
HF Energy	-487.884672
Nuclear repulsion energy	101.381963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	933	830	157.86
2	A₁	373	332	26.71
3	B₂	950	846	178.46

Atom	y (Å)	z (Å)
Si1	0.000	0.578
F2	1.216	-0.450
F3	-1.216	-0.450

	Si1	F2	F3
Si1		1.5922	1.5922
F2	1.5922		2.4315
F3	1.5922	2.4315

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

using model chemistry: ROHF/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	-487.794616
Energy at 298.15K	-487.674913
HF Energy	-487.794616
Nuclear repulsion energy	99.758980

Number	Element	Mulliken
1	Si	0.991
2	F	-0.495
3	F	-0.495

	x	y	z	Total
	0.000	0.000	1.180	1.180
CHELPG
AIM
ESP

<r²>	49.022
(<r²>)^1/2	7.002

Number	Element	Mulliken
1	Si	0.957
2	F	-0.478
3	F	-0.478

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

using model chemistry: ROHF/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)