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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	-488.402132
Energy at 298.15K	-488.282489
HF Energy	-487.953778
Nuclear repulsion energy	100.661111

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	895	831	156.63
2	A₁	365	339	26.31
3	B₂	904	840	190.66

Atom	y (Å)	z (Å)
Si1	0.000	0.581
F2	1.226	-0.452
F3	-1.226	-0.452

	Si1	F2	F3
Si1		1.6031	1.6031
F2	1.6031		2.4523
F3	1.6031	2.4523

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

using model chemistry: CID/6-311G*

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	-488.293968
Energy at 298.15K	-488.174233
HF Energy	-487.865701
Nuclear repulsion energy	99.130758

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

using model chemistry: CID/6-311G*

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)