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	hartrees
Energy at 0K	-995.838665
Energy at 298.15K	-995.839251
Nuclear repulsion energy	212.068621

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	707	669	27.48
2	A	470	445	0.28
3	A	209	198	0.29
4	A	146	138	4.47
5	B	695	658	83.08
6	B	242	229	9.45

Atom	x (Å)	y (Å)	z (Å)
S1	-0.460	0.951	-0.436
S2	0.460	-0.951	-0.436
F3	0.460	1.838	0.776
F4	-0.460	-1.838	0.776

	S1	S2	F3	F4
S1		2.1133	1.7610	3.0415
S2	2.1133		3.0415	1.7610
F3	1.7610	3.0415		3.7891
F4	3.0415	1.7610	3.7891

Number	Element	Mulliken
1	S	0.369
2	S	0.369
3	F	-0.369
4	F	-0.369

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: mPW1PW91/6-31G

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	-2.294	2.294
CHELPG
AIM
ESP

	x	y	z
x	3.541	-0.888	0.000
y	-0.888	8.351	0.000
z	0.000	0.000	3.583

<r²>	140.197
(<r²>)^1/2	11.840