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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	-485.562049
Energy at 298.15K	-485.442423
HF Energy	-485.300399
Nuclear repulsion energy	98.940780

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	929	865	85.64
2	A₁	362	337	27.75
3	B₂	948	883	92.51

Atom	y (Å)	z (Å)
Si1	0.000	0.609
F2	1.227	-0.474
F3	-1.227	-0.474

	Si1	F2	F3
Si1		1.6367	1.6367
F2	1.6367		2.4544
F3	1.6367	2.4544

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

using model chemistry: CID/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	-485.450554
Energy at 298.15K	-485.330820
HF Energy	-485.202643
Nuclear repulsion energy	96.271166

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

using model chemistry: CID/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)