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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	-488.441933
Energy at 298.15K
HF Energy	-487.953251
Nuclear repulsion energy	99.851511

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	868	825	137.60	4.06	0.59	0.75
2	A₁	349	332	23.11	0.89	0.40	0.58
3	B₂	884	840	173.86	5.17	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.581
F2	1.241	-0.452
F3	-1.241	-0.452

	Si1	F2	F3
Si1		1.6148	1.6148
F2	1.6148		2.4822
F3	1.6148	2.4822

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

using model chemistry: MP2/6-311G*

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	-488.329799
Energy at 298.15K	-488.210041
HF Energy	-487.865183
Nuclear repulsion energy	98.372557

	Si1	F2	F3
Si1		1.6113	1.6113
F2	1.6113		2.6635
F3	1.6113	2.6635

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

using model chemistry: MP2/6-311G*

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)