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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	-489.196967
Energy at 298.15K
HF Energy	-489.196967
Nuclear repulsion energy	100.072755

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	879	837	112.40	3.63	0.62	0.77
2	A₁	332	316	17.70	0.77	0.36	0.53
3	B₂	910	866	136.49	5.09	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.578
F2	1.240	-0.450
F3	-1.240	-0.450

	Si1	F2	F3
Si1		1.6108	1.6108
F2	1.6108		2.4798
F3	1.6108	2.4798

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

using model chemistry: mPW1PW91/6-31G**

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	-489.084881
Energy at 298.15K	-488.965114
HF Energy	-489.084881
Nuclear repulsion energy	98.316609

Number	Element	Mulliken
1	Si	0.748
2	F	-0.374
3	F	-0.374

	x	y	z	Total
	0.000	0.000	0.967	0.967
CHELPG
AIM
ESP

<r²>	49.869
(<r²>)^1/2	7.062

Number	Element	Mulliken
1	Si	0.708
2	F	-0.354
3	F	-0.354

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

using model chemistry: mPW1PW91/6-31G**

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)