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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	-485.580351
Energy at 298.15K
HF Energy	-485.300038
Nuclear repulsion energy	98.457018

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	907	866	69.47	8.75	0.33	0.50
2	A₁	353	337	24.27	1.15	0.63	0.78
3	B₂	932	889	80.53	6.54	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.610
F2	1.236	-0.474
F3	-1.236	-0.474

	Si1	F2	F3
Si1		1.6440	1.6440
F2	1.6440		2.4719
F3	1.6440	2.4719

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

using model chemistry: MP2/3-21G

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	-485.467004
Energy at 298.15K	-485.347259
HF Energy	-485.202337
Nuclear repulsion energy	95.902810

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

using model chemistry: MP2/3-21G

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)