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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	-489.152032
Energy at 298.15K
HF Energy	-489.152032
Nuclear repulsion energy	100.374722

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	901	853	123.56	3.00	0.68	0.81
2	A₁	341	323	20.50	0.78	0.35	0.52
3	B₂	925	876	148.28	4.39	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.581
F2	1.231	-0.452
F3	-1.231	-0.452

	Si1	F2	F3
Si1		1.6073	1.6073
F2	1.6073		2.4627
F3	1.6073	2.4627

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

using model chemistry: M06-2X/6-31G*

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	-489.036465
Energy at 298.15K	-488.916703
HF Energy	-489.036465
Nuclear repulsion energy	98.520336

Number	Element	Mulliken
1	Si	0.779
2	F	-0.390
3	F	-0.390

	x	y	z	Total
	0.000	0.000	1.103	1.103
CHELPG
AIM
ESP

<r²>	49.575
(<r²>)^1/2	7.041

Number	Element	Mulliken
1	Si	0.722
2	F	-0.361
3	F	-0.361

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

using model chemistry: M06-2X/6-31G*

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)