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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	-488.331963
Energy at 298.15K
HF Energy	-487.896816
Nuclear repulsion energy	98.519092

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	830	780	155.79	4.91	0.64	0.78
2	A₁	329	309	21.04	0.76	0.19	0.32
3	B₂	841	791	209.64	7.41	0.75	0.86

Atom	y (Å)	z (Å)
Si1	0.000	0.589
F2	1.258	-0.458
F3	-1.258	-0.458

	Si1	F2	F3
Si1		1.6367	1.6367
F2	1.6367		2.5152
F3	1.6367	2.5152

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

using model chemistry: MP2/6-31+G**

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	-488.222018
Energy at 298.15K	-488.102243
HF Energy	-487.812272
Nuclear repulsion energy	97.486507

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

using model chemistry: MP2/6-31+G**

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)