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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	-489.240845
Energy at 298.15K
HF Energy	-489.240845
Nuclear repulsion energy	100.103999

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	874	874	147.71	3.32	0.69	0.82
2	A₁	347	347	23.34	0.79	0.41	0.58
3	B₂	881	881	175.69	4.56	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.587
F2	1.229	-0.457
F3	-1.229	-0.457

	Si1	F2	F3
Si1		1.6130	1.6130
F2	1.6130		2.4590
F3	1.6130	2.4590

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

using model chemistry: M06-2X/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	-489.126338
Energy at 298.15K	-489.006557
HF Energy	-489.126338
Nuclear repulsion energy	98.379139

Number	Element	Mulliken
1	Si	0.861
2	F	-0.431
3	F	-0.431

	x	y	z	Total
	0.000	0.000	1.550	1.550
CHELPG
AIM
ESP

<r²>	49.918
(<r²>)^1/2	7.065

Number	Element	Mulliken
1	Si	0.795
2	F	-0.397
3	F	-0.397

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

using model chemistry: M06-2X/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)