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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	-488.681286
Energy at 298.15K
HF Energy	-487.997752
Nuclear repulsion energy	100.167184

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	860	816	127.03	4.01	0.52	0.69
2	A₁	343	325	18.08	0.59	0.27	0.42
3	B₂	878	833	166.91	4.75	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.577
F2	1.239	-0.449
F3	-1.239	-0.449

	Si1	F2	F3
Si1		1.6091	1.6091
F2	1.6091		2.4788
F3	1.6091	2.4788

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

using model chemistry: MP2=FULL/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	-488.568849
Energy at 298.15K	-488.449105
HF Energy	-487.915695
Nuclear repulsion energy	99.106431

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

using model chemistry: MP2=FULL/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)