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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	-489.149683
Energy at 298.15K
HF Energy	-489.149683
Nuclear repulsion energy	97.520823

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	835	806	108.53
2	A₁	316	305	16.45
3	B₂	855	825	129.77

Atom	y (Å)	z (Å)
Si1	0.000	0.599
F2	1.267	-0.466
F3	-1.267	-0.466

	Si1	F2	F3
Si1		1.6544	1.6544
F2	1.6544		2.5337
F3	1.6544	2.5337

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

using model chemistry: B3PW91/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	-489.038150
Energy at 298.15K	-488.918332
HF Energy	-489.038150
Nuclear repulsion energy	95.970734

Number	Element	Mulliken
1	Si	0.639
2	F	-0.319
3	F	-0.319

	x	y	z	Total
	0.000	0.000	1.426	1.426
CHELPG
AIM
ESP

<r²>	51.787
(<r²>)^1/2	7.196

Number	Element	Mulliken
1	Si	0.589
2	F	-0.295
3	F	-0.295

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

using model chemistry: B3PW91/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)