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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	-51.979340
Energy at 298.15K
HF Energy	-51.571914
Nuclear repulsion energy	28.396852

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	815	774	135.62	3.90	0.66	0.80
2	A₁	326	310	19.23	1.17	0.30	0.46
3	B₂	819	778	180.05	7.61	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.592
F2	1.256	-0.461
F3	-1.256	-0.461

	Si1	F2	F3
Si1		1.6394	1.6394
F2	1.6394		2.5125
F3	1.6394	2.5125

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

using model chemistry: MP2/CEP-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	-51.868663
Energy at 298.15K	-51.748855
HF Energy	-51.486953
Nuclear repulsion energy	27.516417

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

using model chemistry: MP2/CEP-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)