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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	-481.687279
Energy at 298.15K
HF Energy	-481.687279
Nuclear repulsion energy	101.619530

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	1005	820	39.02	6.12	0.08	0.14
2	A₁	441	360	18.09	0.85	0.75	0.85
3	B₂	975	796	81.69	2.57	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.619
F2	1.165	-0.482
F3	-1.165	-0.482

	Si1	F2	F3
Si1		1.6025	1.6025
F2	1.6025		2.3293
F3	1.6025	2.3293

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

using model chemistry: HF/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	-481.586623
Energy at 298.15K	-481.466823
HF Energy	-481.586623
Nuclear repulsion energy	97.046675

Number	Element	Mulliken
1	Si	0.717
2	F	-0.358
3	F	-0.358

	x	y	z	Total
	0.000	0.000	1.265	1.265
CHELPG
AIM
ESP

<r²>	45.859
(<r²>)^1/2	6.772

Number	Element	Mulliken
1	Si	0.582
2	F	-0.291
3	F	-0.291

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

using model chemistry: HF/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)