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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	-488.452125
Energy at 298.15K	-488.332457
HF Energy	-487.953415
Nuclear repulsion energy	100.038932

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	870	833	137.00
2	A₁	353	338	23.66
3	B₂	884	847	174.64

Atom	y (Å)	z (Å)
Si1	0.000	0.582
F2	1.236	-0.453
F3	-1.236	-0.453

	Si1	F2	F3
Si1		1.6125	1.6125
F2	1.6125		2.4722
F3	1.6125	2.4722

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

using model chemistry: QCISD/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	-488.334721
Energy at 298.15K	-488.214959
HF Energy	-487.865251
Nuclear repulsion energy	98.445849

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

using model chemistry: QCISD/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)