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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	-489.258084
Energy at 298.15K
HF Energy	-489.258084
Nuclear repulsion energy	97.308097

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	773	769	133.33	6.05	0.57	0.73
2	A₁	300	299	15.34	0.83	0.32	0.48
3	B₂	787	783	184.70	9.63	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.593
F2	1.277	-0.461
F3	-1.277	-0.461

	Si1	F2	F3
Si1		1.6560	1.6560
F2	1.6560		2.5541
F3	1.6560	2.5541

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

using model chemistry: BLYP/6-31+G**

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	-489.138992
Energy at 298.15K	-489.019124
HF Energy	-489.138992
Nuclear repulsion energy	96.021417

Number	Element	Mulliken
1	Si	0.553
2	F	-0.277
3	F	-0.277

	x	y	z	Total
	0.000	0.000	1.599	1.599
CHELPG
AIM
ESP

<r²>	52.649
(<r²>)^1/2	7.256

Number	Element	Mulliken
1	Si	0.492
2	F	-0.246
3	F	-0.246

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

using model chemistry: BLYP/6-31+G**

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)