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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	-488.687797
Energy at 298.15K	-488.683521
HF Energy	-487.868454
Nuclear repulsion energy	100.844935

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	919	919	167.62
2	A₁	373	373	29.16
3	B₂	934	934	185.54

Atom	y (Å)	z (Å)
Si1	0.000	0.582
F2	1.219	-0.453
F3	-1.219	-0.453

	Si1	F2	F3
Si1		1.5990	1.5990
F2	1.5990		2.4378
F3	1.5990	2.4378

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

using model chemistry: CBS-Q

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	-488.568266
Energy at 298.15K	-488.563904
HF Energy	-487.778751
Nuclear repulsion energy	99.249880

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

using model chemistry: CBS-Q

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)