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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	-489.228568
Energy at 298.15K
HF Energy	-489.228568
Nuclear repulsion energy	100.215762

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	887	847	113.53	3.58	0.63	0.77
2	A₁	332	317	17.90	0.76	0.37	0.55
3	B₂	917	875	137.12	4.97	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.579
F2	1.236	-0.451
F3	-1.236	-0.451

	Si1	F2	F3
Si1		1.6090	1.6090
F2	1.6090		2.4723
F3	1.6090	2.4723

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

using model chemistry: B1B95/6-31G**

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	-489.109137
Energy at 298.15K	-488.989367
HF Energy	-489.109137
Nuclear repulsion energy	98.431142

Number	Element	Mulliken
1	Si	0.742
2	F	-0.371
3	F	-0.371

	x	y	z	Total
	0.000	0.000	1.005	1.005
CHELPG
AIM
ESP

<r²>	49.690
(<r²>)^1/2	7.049

Number	Element	Mulliken
1	Si	0.699
2	F	-0.349
3	F	-0.349

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

using model chemistry: B1B95/6-31G**

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)