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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	-487.895560
Energy at 298.15K	-487.775905
HF Energy	-487.895560
Nuclear repulsion energy	98.878706

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	888	764	156.43
2	A₁	355	306	26.41
3	B₂	894	770	173.72

Atom	y (Å)	z (Å)
Si1	0.000	0.599
F2	1.240	-0.466
F3	-1.240	-0.466

	Si1	F2	F3
Si1		1.6343	1.6343
F2	1.6343		2.4798
F3	1.6343	2.4798

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

using model chemistry: ROHF/cc-pVDZ

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	-487.809319
Energy at 298.15K	-487.689586
HF Energy	-487.809319
Nuclear repulsion energy	97.568428

Number	Element	Mulliken
1	Si	0.905
2	F	-0.453
3	F	-0.453

	x	y	z	Total
	0.000	0.000	1.775	1.775
CHELPG
AIM
ESP

<r²>	50.887
(<r²>)^1/2	7.134

Number	Element	Mulliken
1	Si	0.866
2	F	-0.433
3	F	-0.433

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

using model chemistry: ROHF/cc-pVDZ

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)