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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	-488.304255
Energy at 298.15K	-488.184596
HF Energy	-487.884174
Nuclear repulsion energy	100.143193

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	904	848	129.95
2	A₁	347	326	22.29
3	B₂	929	872	160.98

Atom	y (Å)	z (Å)
Si1	0.000	0.580
F2	1.237	-0.451
F3	-1.237	-0.451

	Si1	F2	F3
Si1		1.6102	1.6102
F2	1.6102		2.4738
F3	1.6102	2.4738

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

using model chemistry: MP3/6-31G*

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	-488.186800
Energy at 298.15K	-488.067061
HF Energy	-487.794018
Nuclear repulsion energy	98.411354

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

using model chemistry: MP3/6-31G*

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)