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	hartrees
Energy at 0K	-995.828258
Energy at 298.15K	-995.829183
Nuclear repulsion energy	226.413307

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	752	719	66.91
2	A	602	576	0.14
3	A	275	263	0.67
4	A	181	173	2.97
5	B	722	691	186.64
6	B	304	291	11.88

Atom	x (Å)	y (Å)	z (Å)
S1	-0.397	0.878	-0.404
S2	0.397	-0.878	-0.404
F3	0.397	1.802	0.718
F4	-0.397	-1.802	0.718

	S1	S2	F3	F4
S1		1.9275	1.6554	2.9055
S2	1.9275		2.9055	1.6554
F3	1.6554	2.9055		3.6904
F4	2.9055	1.6554	3.6904

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: B3PW91/6-31G*

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	-1.467	1.467
CHELPG
AIM
ESP

	x	y	z
x	3.670	-0.800	0.000
y	-0.800	7.837	0.000
z	0.000	0.000	3.685

<r²>	127.480
(<r²>)^1/2	11.291