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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	-488.320263
Energy at 298.15K	-488.200607
HF Energy	-487.884216
Nuclear repulsion energy	100.196028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	909	853	130.27
2	A₁	347	326	22.27
3	B₂	936	878	161.18

Atom	y (Å)	z (Å)
Si1	0.000	0.576
F2	1.237	-0.448
F3	-1.237	-0.448

	Si1	F2	F3
Si1		1.6057	1.6057
F2	1.6057		2.4748
F3	1.6057	2.4748

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

using model chemistry: MP3=FULL/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	-488.201884
Energy at 298.15K	-488.082149
HF Energy	-487.794076
Nuclear repulsion energy	98.478840

	Si1	F2	F3
Si1		1.6072	1.6072
F2	1.6072		2.7095
F3	1.6072	2.7095

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

using model chemistry: MP3=FULL/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)