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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	-487.926279
Energy at 298.15K
HF Energy	-487.926279
Nuclear repulsion energy	99.740732

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	876	798	180.19	3.36	0.67	0.80
2	A₁	354	323	22.61	0.63	0.11	0.20
3	B₂	873	795	208.95	5.00	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.597
F2	1.226	-0.464
F3	-1.226	-0.464

	Si1	F2	F3
Si1		1.6211	1.6211
F2	1.6211		2.4518
F3	1.6211	2.4518

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

using model chemistry: HF/aug-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	-487.843002
Energy at 298.15K	-487.723279
HF Energy	-487.843002
Nuclear repulsion energy	98.633862

Number	Element	Mulliken
1	Si	1.343
2	F	-0.672
3	F	-0.672

	x	y	z	Total
	0.000	0.000	1.536	1.536
CHELPG
AIM
ESP

<r²>	50.328
(<r²>)^1/2	7.094

Number	Element	Mulliken
1	Si	1.374
2	F	-0.687
3	F	-0.687

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

using model chemistry: HF/aug-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)