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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	-488.629393
Energy at 298.15K	-488.509703
HF Energy	-487.997436
Nuclear repulsion energy	99.893355

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	847	821
2	A₁	337	327
3	B₂	868	841

Atom	y (Å)	z (Å)
Si1	0.000	0.578
F2	1.244	-0.449
F3	-1.244	-0.449

	Si1	F2	F3
Si1		1.6132	1.6132
F2	1.6132		2.4874
F3	1.6132	2.4874

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

using model chemistry: MP4/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	-488.511633
Energy at 298.15K	-488.391874
HF Energy	-487.915269
Nuclear repulsion energy	98.758765

	Si1	F2	F3
Si1		1.6096	1.6096
F2	1.6096		2.6940
F3	1.6096	2.6940

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

using model chemistry: MP4/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)