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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	-202.703521
Energy at 298.15K
HF Energy	-202.703521
Nuclear repulsion energy	40.183186

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	745	146.33	6.59	0.33	0.50
2	A₁	354	319	32.68	0.88	0.52	0.69
3	B₂	817	735	167.96	6.23	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.623
F2	1.241	-0.484
F3	-1.241	-0.484

	Si1	F2	F3
Si1		1.6630	1.6630
F2	1.6630		2.4816
F3	1.6630	2.4816

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

using model chemistry: HF/LANL2DZ

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	-202.620577
Energy at 298.15K	-202.500765
HF Energy	-202.620577
Nuclear repulsion energy	38.217987

Number	Element	Mulliken
1	Si	1.267
2	F	-0.633
3	F	-0.633

	x	y	z	Total
	0.000	0.000	2.785	2.785
CHELPG
AIM
ESP

<r²>	47.714
(<r²>)^1/2	6.908

Number	Element	Mulliken
1	Si	1.194
2	F	-0.597
3	F	-0.597

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

using model chemistry: HF/LANL2DZ

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)