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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	-488.324181
Energy at 298.15K
HF Energy	-487.883735
Nuclear repulsion energy	99.682072

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	885	851
2	A₁	337	324
3	B₂	915	880

Atom	y (Å)	z (Å)
Si1	0.000	0.580
F2	1.245	-0.451
F3	-1.245	-0.451

	Si1	F2	F3
Si1		1.6169	1.6169
F2	1.6169		2.4909
F3	1.6169	2.4909

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

using model chemistry: CCSD(T)/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	-488.203912
Energy at 298.15K	-488.084155
HF Energy	-487.793528
Nuclear repulsion energy	97.938527

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

using model chemistry: CCSD(T)/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)