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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	-488.317959
Energy at 298.15K	-488.198286
HF Energy	-487.883790
Nuclear repulsion energy	99.734417

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	885	834	116.37
2	A₁	340	320	20.72
3	B₂	914	860	147.81

Atom	y (Å)	z (Å)
Si1	0.000	0.581
F2	1.243	-0.452
F3	-1.243	-0.452

	Si1	F2	F3
Si1		1.6165	1.6165
F2	1.6165		2.4860
F3	1.6165	2.4860

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

using model chemistry: QCISD/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	-488.198952
Energy at 298.15K	-488.079200
HF Energy	-487.793601
Nuclear repulsion energy	98.002485

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

using model chemistry: QCISD/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)