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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	-488.304414
Energy at 298.15K
HF Energy	-487.883704
Nuclear repulsion energy	99.654571

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	887	830	116.89	3.77	0.58	0.73
2	A₁	337	316	20.54	0.81	0.35	0.52
3	B₂	917	859	147.47	5.01	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.579
F2	1.247	-0.451
F3	-1.247	-0.451

	Si1	F2	F3
Si1		1.6171	1.6171
F2	1.6171		2.4936
F3	1.6171	2.4936

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

using model chemistry: MP2/6-31G**

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	-488.190588
Energy at 298.15K	-488.070843
HF Energy	-487.793612
Nuclear repulsion energy	98.010454

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

using model chemistry: MP2/6-31G**

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)