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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	-52.351922
Energy at 298.15K
HF Energy	-52.351922
Nuclear repulsion energy	28.450038

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	808	783	133.54	3.61	0.66	0.79
2	A₁	321	311	16.63	0.92	0.31	0.48
3	B₂	821	796	167.13	5.64	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.590
F2	1.255	-0.459
F3	-1.255	-0.459

	Si1	F2	F3
Si1		1.6357	1.6357
F2	1.6357		2.5093
F3	1.6357	2.5093

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

using model chemistry: B3LYP/CEP-121G*

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	-52.235780
Energy at 298.15K	-52.115951
HF Energy	-52.235780
Nuclear repulsion energy	27.511924

Number	Element	Mulliken
1	Si	0.649
2	F	-0.324
3	F	-0.324

	x	y	z	Total
	0.000	0.000	1.428	1.428
CHELPG
AIM
ESP

<r²>	39.868
(<r²>)^1/2	6.314

Number	Element	Mulliken
1	Si	0.610
2	F	-0.305
3	F	-0.305

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

using model chemistry: B3LYP/CEP-121G*

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)