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	hartrees
Energy at 0K	-984.365817
Energy at 298.15K	-984.366535
Nuclear repulsion energy	219.779118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	886	782	5.25
2	A	579	511	0.10
3	A	249	220	0.60
4	A	134	118	0.67
5	B	882	779	27.15
6	B	293	259	4.46

Atom	x (Å)	y (Å)	z (Å)
S1	-0.461	0.930	-0.424
S2	0.461	-0.930	-0.424
F3	0.461	1.722	0.754
F4	-0.461	-1.722	0.754

	S1	S2	F3	F4
S1		2.0765	1.6933	2.9022
S2	2.0765		2.9022	1.6933
F3	1.6933	2.9022		3.5655
F4	2.9022	1.6933	3.5655

Number	Element	Mulliken
1	S	0.146
2	S	0.146
3	F	-0.146
4	F	-0.146

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: B1B95/STO-3G

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	-0.529	0.529
CHELPG
AIM
ESP

	x	y	z
x	1.426	-0.286	0.000
y	-0.286	4.463	0.000
z	0.000	0.000	1.613

<r²>	126.746
(<r²>)^1/2	11.258