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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	-489.228865
Energy at 298.15K
HF Energy	-489.228865
Nuclear repulsion energy	98.575824

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	825	819	88.24	4.37	0.57	0.73
2	A₁	310	308	13.63	0.83	0.41	0.58
3	B₂	862	855	110.91	6.20	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.581
F2	1.266	-0.452
F3	-1.266	-0.452

	Si1	F2	F3
Si1		1.6334	1.6334
F2	1.6334		2.5314
F3	1.6334	2.5314

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

using model chemistry: BLYP/6-31G*

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	-489.107786
Energy at 298.15K	-488.987959
HF Energy	-489.107786
Nuclear repulsion energy	96.758884

Number	Element	Mulliken
1	Si	0.652
2	F	-0.326
3	F	-0.326

	x	y	z	Total
	0.000	0.000	0.872	0.872
CHELPG
AIM
ESP

<r²>	51.162
(<r²>)^1/2	7.153

	Si1	F2	F3
Si1		1.6253	1.6253
F2	1.6253		2.7517
F3	1.6253	2.7517

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

using model chemistry: BLYP/6-31G*

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)