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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	-488.004387
Energy at 298.15K
HF Energy	-488.004387
Nuclear repulsion energy	101.981756

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	912	825	169.22	3.04	0.75	0.86
2	A₁	380	344	25.81	0.82	0.11	0.19
3	B₂	916	829	199.81	4.04	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.576
F2	1.208	-0.448
F3	-1.208	-0.448

	Si1	F2	F3
Si1		1.5830	1.5830
F2	1.5830		2.4157
F3	1.5830	2.4157

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

using model chemistry: HF/daug-cc-pVTZ

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	-487.923652
Energy at 298.15K	-487.803961
HF Energy	-487.923652
Nuclear repulsion energy	101.038757

Number	Element	Mulliken
1	Si	1.246
2	F	-0.623
3	F	-0.623

	x	y	z	Total
	0.000	0.000	1.113	1.113
CHELPG
AIM
ESP

<r²>	48.830
(<r²>)^1/2	6.988

	Si1	F2	F3
Si1		1.5767	1.5767
F2	1.5767		2.6038
F3	1.5767	2.6038

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

using model chemistry: HF/daug-cc-pVTZ

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)