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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	-485.734501
Energy at 298.15K
HF Energy	-485.412581
Nuclear repulsion energy	100.792810

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	974	923	90.88	4.27	0.47	0.64
2	A₁	371	352	22.91	0.75	0.51	0.67
3	B₂	1019	966	108.47	4.68	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.575
F2	1.230	-0.447
F3	-1.230	-0.447

	Si1	F2	F3
Si1		1.5994	1.5994
F2	1.5994		2.4608
F3	1.5994	2.4608

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

using model chemistry: MP2=FULL/3-21G*

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	-485.616979
Energy at 298.15K	-485.497279
HF Energy	-485.318955
Nuclear repulsion energy	98.874170

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

using model chemistry: MP2=FULL/3-21G*

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)