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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	-489.264490
Energy at 298.15K
HF Energy	-489.264490
Nuclear repulsion energy	99.633496

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	856	810	160.49	3.58	0.67	0.80
2	A₁	342	324	21.56	0.83	0.40	0.57
3	B₂	852	806	198.80	5.39	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.593
F2	1.232	-0.461
F3	-1.232	-0.461

	Si1	F2	F3
Si1		1.6215	1.6215
F2	1.6215		2.4644
F3	1.6215	2.4644

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

using model chemistry: M06-2X/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	-489.149627
Energy at 298.15K	-489.029830
HF Energy	-489.149627
Nuclear repulsion energy	98.100567

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

	x	y	z	Total
	0.000	0.000	1.640	1.640
CHELPG
AIM
ESP

<r²>	50.346
(<r²>)^1/2	7.096

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: M06-2X/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)