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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	-488.680209
Energy at 298.15K
HF Energy	-488.023932
Nuclear repulsion energy	100.489199

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	859	814	129.20	3.93	0.60	0.75
2	A₁	343	325	18.56	0.73	0.15	0.26
3	B₂	875	830	171.90	5.11	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.575
F2	1.236	-0.447
F3	-1.236	-0.447

	Si1	F2	F3
Si1		1.6039	1.6039
F2	1.6039		2.4712
F3	1.6039	2.4712

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

using model chemistry: MP2/cc-pVQZ

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	-488.568654
Energy at 298.15K
HF Energy	-487.943404
Nuclear repulsion energy	99.530307

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

using model chemistry: MP2/cc-pVQZ

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)