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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	-488.902728
Energy at 298.15K
HF Energy	-488.902728
Nuclear repulsion energy	98.831384

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	835	823	88.72	4.44	0.56	0.72
2	A₁	311	306	13.60	0.86	0.41	0.58
3	B₂	872	860	111.76	6.21	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.581
F2	1.261	-0.452
F3	-1.261	-0.452

	Si1	F2	F3
Si1		1.6295	1.6295
F2	1.6295		2.5220
F3	1.6295	2.5220

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

using model chemistry: PBEPBE/6-31G**

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	-488.788072
Energy at 298.15K	-488.668260
HF Energy	-488.788072
Nuclear repulsion energy	97.065614

Number	Element	Mulliken
1	Si	0.640
2	F	-0.320
3	F	-0.320

	x	y	z	Total
	0.000	0.000	0.806	0.806
CHELPG
AIM
ESP

<r²>	50.918
(<r²>)^1/2	7.136

Number	Element	Mulliken
1	Si	0.599
2	F	-0.300
3	F	-0.300

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

using model chemistry: PBEPBE/6-31G**

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)