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	hartrees
Energy at 0K	-995.811558
Energy at 298.15K
HF Energy	-995.521379
Nuclear repulsion energy	227.147463

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	699	672	91.10
2	A	612	588	2.83
3	A	286	275	1.30
4	A	180	173	1.53
5	B	664	638	233.68
6	B	314	301	13.95

Atom	x (Å)	y (Å)	z (Å)
S1	-0.393	0.871	-0.409
S2	0.393	-0.871	-0.409
F3	0.393	1.788	0.728
F4	-0.393	-1.788	0.728

	S1	S2	F3	F4
S1		1.9117	1.6587	2.8922
S2	1.9117		2.8922	1.6587
F3	1.6587	2.8922		3.6612
F4	2.8922	1.6587	3.6612

Number	Element	Mulliken
1	S	0.448
2	S	0.448
3	F	-0.448
4	F	-0.448

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: B2PLYP/aug-cc-pVTZ

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	-1.604	1.604
CHELPG
AIM
ESP

	x	y	z
x	5.483	-0.536	0.000
y	-0.536	9.082	0.000
z	0.000	0.000	5.651

<r²>	127.027
(<r²>)^1/2	11.271