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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	-488.709025
Energy at 298.15K
HF Energy	-488.002854
Nuclear repulsion energy	100.183968

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	852	810	135.49	4.47	0.54	0.70
2	A₁	341	324	18.47	0.85	0.12	0.21
3	B₂	862	820	180.37	5.93	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.582
F2	1.234	-0.453
F3	-1.234	-0.453

	Si1	F2	F3
Si1		1.6103	1.6103
F2	1.6103		2.4677
F3	1.6103	2.4677

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

using model chemistry: MP2=FULL/aug-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	-488.596500
Energy at 298.15K	-488.476746
HF Energy	-487.921961
Nuclear repulsion energy	99.189996

	Si1	F2	F3
Si1		1.6032	1.6032
F2	1.6032		2.6184
F3	1.6032	2.6184

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

using model chemistry: MP2=FULL/aug-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)