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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	-481.757107
Energy at 298.15K
HF Energy	-481.686917
Nuclear repulsion energy	100.668600

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	971	846	26.76	7.27	0.10	0.18
2	A₁	419	365	12.00	1.24	0.75	0.86
3	B₂	947	826	73.30	2.77	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.625
F2	1.175	-0.486
F3	-1.175	-0.486

	Si1	F2	F3
Si1		1.6177	1.6177
F2	1.6177		2.3507
F3	1.6177	2.3507

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

using model chemistry: MP2/STO-3G

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	-481.637937
Energy at 298.15K	-481.518107
HF Energy	-481.586371
Nuclear repulsion energy	96.224063

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

using model chemistry: MP2/STO-3G

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)