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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	-488.543655
Energy at 298.15K
HF Energy	-487.980995
Nuclear repulsion energy	99.077921

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	837	798	148.60	4.46	0.56	0.72
2	A₁	336	320	20.47	0.93	0.40	0.57
3	B₂	843	803	194.89	6.11	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.589
F2	1.247	-0.458
F3	-1.247	-0.458

	Si1	F2	F3
Si1		1.6284	1.6284
F2	1.6284		2.4939
F3	1.6284	2.4939

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

using model chemistry: MP2=FULL/TZVP

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	-488.432205
Energy at 298.15K	-488.312419
HF Energy	-487.896035
Nuclear repulsion energy	97.799882

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

using model chemistry: MP2=FULL/TZVP

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)