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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	-488.315432
Energy at 298.15K
HF Energy	-487.883927
Nuclear repulsion energy	99.867492

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	893	843	121.82
2	A₁	342	323	21.29
3	B₂	920	868	153.62

Atom	y (Å)	z (Å)
Si1	0.000	0.581
F2	1.241	-0.452
F3	-1.241	-0.452

	Si1	F2	F3
Si1		1.6145	1.6145
F2	1.6145		2.4822
F3	1.6145	2.4822

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

using model chemistry: CCSD/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	-488.196353
Energy at 298.15K	-488.076604
HF Energy	-487.793741
Nuclear repulsion energy	98.128267

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

using model chemistry: CCSD/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)