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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	-488.603857
Energy at 298.15K
HF Energy	-487.953266
Nuclear repulsion energy	99.868441

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	822	138.02	4.06	0.60	0.75
2	A₁	349	331	23.03	0.88	0.40	0.58
3	B₂	885	838	174.05	5.16	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		1.6145	1.6145
F2	1.6145		2.4816
F3	1.6145	2.4816

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

using model chemistry: MP2=FULL/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	-488.490640
Energy at 298.15K	-488.370882
HF Energy	-487.865215
Nuclear repulsion energy	98.408989

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

using model chemistry: MP2=FULL/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)