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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	-489.206849
Energy at 298.15K
HF Energy	-489.206849
Nuclear repulsion energy	98.402818

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	836	836	146.70	4.17	0.53	0.69
2	A₁	321	321	17.38	0.71	0.18	0.31
3	B₂	836	836	183.76	5.81	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.605
F2	1.243	-0.470
F3	-1.243	-0.470

	Si1	F2	F3
Si1		1.6431	1.6431
F2	1.6431		2.4855
F3	1.6431	2.4855

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

using model chemistry: M06-2X/aug-cc-pVDZ

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	-489.091678
Energy at 298.15K	-488.971883
HF Energy	-489.091678
Nuclear repulsion energy	96.907567

Number	Element	Mulliken
1	Si	1.053
2	F	-0.527
3	F	-0.527

	x	y	z	Total
	0.000	0.000	1.647	1.647
CHELPG
AIM
ESP

<r²>	51.193
(<r²>)^1/2	7.155

Number	Element	Mulliken
1	Si	1.039
2	F	-0.520
3	F	-0.520

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

using model chemistry: M06-2X/aug-cc-pVDZ

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)