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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	-489.344637
Energy at 298.15K
HF Energy	-489.344637
Nuclear repulsion energy	99.301852

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	836	808	130.88	4.19	0.62	0.76
2	A₁	331	320	19.23	0.82	0.44	0.61
3	B₂	851	822	158.87	5.62	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.585
F2	1.247	-0.455
F3	-1.247	-0.455

	Si1	F2	F3
Si1		1.6241	1.6241
F2	1.6241		2.4934
F3	1.6241	2.4934

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

using model chemistry: B3LYP/6-311G*

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	-489.225232
Energy at 298.15K	-489.105421
HF Energy	-489.225232
Nuclear repulsion energy	97.626699

Number	Element	Mulliken
1	Si	0.815
2	F	-0.408
3	F	-0.408

	x	y	z	Total
	0.000	0.000	1.447	1.447
CHELPG
AIM
ESP

<r²>	50.647
(<r²>)^1/2	7.117

Number	Element	Mulliken
1	Si	0.756
2	F	-0.378
3	F	-0.378

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

using model chemistry: B3LYP/6-311G*

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)