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	hartrees
Energy at 0K	-995.936363
Energy at 298.15K	-995.937239
Nuclear repulsion energy	225.685851

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	677	652	74.33
2	A	598	576	1.23
3	A	276	266	1.42
4	A	181	174	4.08
5	B	645	621	201.47
6	B	305	293	15.86

Atom	x (Å)	y (Å)	z (Å)
S1	-0.401	0.871	-0.409
S2	0.401	-0.871	-0.409
F3	0.401	1.806	0.726
F4	-0.401	-1.806	0.726

	S1	S2	F3	F4
S1		1.9168	1.6748	2.9069
S2	1.9168		2.9069	1.6748
F3	1.6748	2.9069		3.6994
F4	2.9069	1.6748	3.6994

Number	Element	Mulliken
1	S	0.343
2	S	0.343
3	F	-0.343
4	F	-0.343

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: B3PW91/6-311G**

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	-2.016	2.016
CHELPG
AIM
ESP

	x	y	z
x	3.584	-0.845	0.000
y	-0.845	7.917	0.000
z	0.000	0.000	3.617

<r²>	128.371
(<r²>)^1/2	11.330