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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	-488.800137
Energy at 298.15K
HF Energy	-488.025155
Nuclear repulsion energy	100.897566

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	861	823	133.60	4.22	0.58	0.73
2	A₁	341	326	18.97	0.86	0.10	0.18
3	B₂	876	838	179.57	5.60	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.573
F2	1.231	-0.445
F3	-1.231	-0.445

	Si1	F2	F3
Si1		1.5973	1.5973
F2	1.5973		2.4616
F3	1.5973	2.4616

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

using model chemistry: MP2=FULL/aug-cc-pVQZ

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	-488.686297
Energy at 298.15K
HF Energy	-487.944959
Nuclear repulsion energy	99.978870

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

using model chemistry: MP2=FULL/aug-cc-pVQZ

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)