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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	-52.274206
Energy at 298.15K
HF Energy	-52.274206
Nuclear repulsion energy	27.121797

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	714	696	114.82	7.14	0.44	0.61
2	A₁	280	273	18.30	1.57	0.55	0.71
3	B₂	718	700	130.13	7.96	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.642
F2	1.299	-0.499
F3	-1.299	-0.499

	Si1	F2	F3
Si1		1.7289	1.7289
F2	1.7289		2.5978
F3	1.7289	2.5978

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	-52.158362
Energy at 298.15K	-52.038374
HF Energy	-52.158362
Nuclear repulsion energy	25.822538

Number	Element	Mulliken
1	Si	0.962
2	F	-0.481
3	F	-0.481

	x	y	z	Total
	0.000	0.000	2.866	2.866
CHELPG
AIM
ESP

<r²>	42.918
(<r²>)^1/2	6.551

Number	Element	Mulliken
1	Si	0.875
2	F	-0.437
3	F	-0.437

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)