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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	-488.149996
Energy at 298.15K
HF Energy	-487.860796
Nuclear repulsion energy	94.427935

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	761	734	129.64	9.95	0.33	0.50
2	A₁	306	295	22.75	1.33	0.59	0.75
3	B₂	759	732	149.02	8.11	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.635
F2	1.290	-0.494
F3	-1.290	-0.494

	Si1	F2	F3
Si1		1.7138	1.7138
F2	1.7138		2.5794
F3	1.7138	2.5794

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

using model chemistry: MP2/SDD

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	-488.040320
Energy at 298.15K	-487.920432
HF Energy	-487.767669
Nuclear repulsion energy	92.560204

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

using model chemistry: MP2/SDD

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)