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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	-482.584241
Energy at 298.15K
HF Energy	-482.584241
Nuclear repulsion energy	97.866497

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	882	806	19.32	6.96	0.12	0.22
2	A₁	367	336	5.72	1.13	0.73	0.84
3	B₂	858	784	47.26	3.70	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.644
F2	1.208	-0.501
F3	-1.208	-0.501

	Si1	F2	F3
Si1		1.6644	1.6644
F2	1.6644		2.4153
F3	1.6644	2.4153

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

using model chemistry: PBEPBE/STO-3G

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	-482.458972
Energy at 298.15K	-482.339041
HF Energy	-482.458972
Nuclear repulsion energy	94.238379

Number	Element	Mulliken
1	Si	0.378
2	F	-0.189
3	F	-0.189

	x	y	z	Total
	0.000	0.000	0.263	0.263
CHELPG
AIM
ESP

<r²>	48.298
(<r²>)^1/2	6.950

Number	Element	Mulliken
1	Si	0.279
2	F	-0.140
3	F	-0.140

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

using model chemistry: PBEPBE/STO-3G

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)