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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	-487.953903
Energy at 298.15K
HF Energy	-487.953903
Nuclear repulsion energy	101.291747

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	910	827	181.16	2.94	0.73	0.84
2	A₁	380	346	29.83	0.67	0.35	0.52
3	B₂	914	830	205.84	3.58	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.581
F2	1.214	-0.452
F3	-1.214	-0.452

	Si1	F2	F3
Si1		1.5944	1.5944
F2	1.5944		2.4280
F3	1.5944	2.4280

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

using model chemistry: HF/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	-487.865865
Energy at 298.15K	-487.746158
HF Energy	-487.865865
Nuclear repulsion energy	99.847153

Number	Element	Mulliken
1	Si	1.016
2	F	-0.508
3	F	-0.508

	x	y	z	Total
	0.000	0.000	1.533	1.533
CHELPG
AIM
ESP

<r²>	49.217
(<r²>)^1/2	7.015

Number	Element	Mulliken
1	Si	0.975
2	F	-0.488
3	F	-0.488

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

using model chemistry: HF/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)