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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	-488.608331
Energy at 298.15K	-488.488664
HF Energy	-487.998011
Nuclear repulsion energy	100.427999

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	869	830	128.75
2	A₁	348	333	19.17
3	B₂	885	845	168.70

Atom	y (Å)	z (Å)
Si1	0.000	0.574
F2	1.234	-0.447
F3	-1.234	-0.447

	Si1	F2	F3
Si1		1.6017	1.6017
F2	1.6017		2.4688
F3	1.6017	2.4688

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

using model chemistry: QCISD/cc-pVTZ

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	-488.492743
Energy at 298.15K	-488.373001
HF Energy	-487.915823
Nuclear repulsion energy	99.224264

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

using model chemistry: QCISD/cc-pVTZ

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)