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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	-489.348419
Energy at 298.15K
HF Energy	-489.348419
Nuclear repulsion energy	97.334916

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	772	770	128.16	5.38	0.53	0.69
2	A₁	306	305	14.70	1.07	0.51	0.67
3	B₂	778	776	170.47	7.65	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.595
F2	1.274	-0.463
F3	-1.274	-0.463

	Si1	F2	F3
Si1		1.6563	1.6563
F2	1.6563		2.5480
F3	1.6563	2.5480

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

using model chemistry: BLYP/TZVP

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	-489.229552
Energy at 298.15K	-489.109674
HF Energy	-489.229552
Nuclear repulsion energy	95.834795

Number	Element	Mulliken
1	Si	0.602
2	F	-0.301
3	F	-0.301

	x	y	z	Total
	0.000	0.000	1.567	1.567
CHELPG
AIM
ESP

<r²>	52.407
(<r²>)^1/2	7.239

Number	Element	Mulliken
1	Si	0.539
2	F	-0.270
3	F	-0.270

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

using model chemistry: BLYP/TZVP

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)