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	hartrees
Energy at 0K	-992.886911
Energy at 298.15K	-992.887446
Nuclear repulsion energy	210.869230

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	665	651	28.42
2	A	496	486	1.00
3	A	211	206	0.99
4	A	141	138	3.42
5	B	656	642	115.59
6	B	222	217	7.85

Atom	x (Å)	y (Å)	z (Å)
S1	-0.440	0.944	-0.433
S2	0.440	-0.944	-0.433
F3	0.440	1.913	0.770
F4	-0.440	-1.913	0.770

	S1	S2	F3	F4
S1		2.0834	1.7771	3.0998
S2	2.0834		3.0998	1.7771
F3	1.7771	3.0998		3.9250
F4	3.0998	1.7771	3.9250

Number	Element	Mulliken
1	S	0.324
2	S	0.324
3	F	-0.324
4	F	-0.324

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: LSDA/6-31G

States and conformations

	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

	x	y	z	Total
	0.000	0.000	-2.095	2.095
CHELPG
AIM
ESP

	x	y	z
x	3.458	-0.908	0.000
y	-0.908	9.180	0.000
z	0.000	0.000	3.587

<r²>	143.675
(<r²>)^1/2	11.986