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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	-489.134492
Energy at 298.15K
HF Energy	-489.134492
Nuclear repulsion energy	98.875919

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	828	812	95.77	4.34	0.57	0.73
2	A₁	316	310	14.33	0.82	0.40	0.57
3	B₂	862	845	119.68	6.06	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.580
F2	1.261	-0.451
F3	-1.261	-0.451

	Si1	F2	F3
Si1		1.6286	1.6286
F2	1.6286		2.5220
F3	1.6286	2.5220

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

using model chemistry: B97D3/6-31G*

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	-489.017941
Energy at 298.15K	-488.898114
HF Energy	-489.017941
Nuclear repulsion energy

Number	Element	Mulliken
1	Si	0.693
2	F	-0.347
3	F	-0.347

	x	y	z	Total
	0.000	0.000	0.873	0.873
CHELPG
AIM
ESP

<r²>	50.864
(<r²>)^1/2	7.132

	Si1	F2	F3
Si1		1.6375	1.6375
F2	1.6375		2.7829
F3	1.6375	2.7829

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

using model chemistry: B97D3/6-31G*

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)