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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	-486.606570
Energy at 298.15K
HF Energy	-486.606570
Nuclear repulsion energy	96.782937

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	821	817	41.30	6.99	0.39	0.56
2	A₁	314	312	12.50	1.19	0.62	0.76
3	B₂	850	845	49.67	6.50	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.618
F2	1.260	-0.481
F3	-1.260	-0.481

	Si1	F2	F3
Si1		1.6717	1.6717
F2	1.6717		2.5197
F3	1.6717	2.5197

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

using model chemistry: BLYP/3-21G

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	-486.485948
Energy at 298.15K	-486.366094
HF Energy	-486.485948
Nuclear repulsion energy	94.052041

Number	Element	Mulliken
1	Si	0.668
2	F	-0.334
3	F	-0.334

	x	y	z	Total
	0.000	0.000	0.934	0.934
CHELPG
AIM
ESP

<r²>	52.274
(<r²>)^1/2	7.230

Number	Element	Mulliken
1	Si	0.582
2	F	-0.291
3	F	-0.291

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

using model chemistry: BLYP/3-21G

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)