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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	-488.003843
Energy at 298.15K
HF Energy	-488.003843
Nuclear repulsion energy	101.965316

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	830	169.40	3.07	0.75	0.86
2	A₁	381	347	25.84	0.82	0.11	0.20
3	B₂	916	834	199.70	4.12	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		1.5833	1.5833
F2	1.5833		2.4161
F3	1.5833	2.4161

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

using model chemistry: HF/aug-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	-487.923021
Energy at 298.15K	-487.803336
HF Energy	-487.923021
Nuclear repulsion energy	101.028589

Number	Element	Mulliken
1	Si	1.020
2	F	-0.510
3	F	-0.510

	x	y	z	Total
	0.000	0.000	1.119	1.119
CHELPG
AIM
ESP

<r²>	48.847
(<r²>)^1/2	6.989

Number	Element	Mulliken
1	Si	1.002
2	F	-0.501
3	F	-0.501

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

using model chemistry: HF/aug-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)