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	hartrees
Energy at 0K	-996.023138
Energy at 298.15K	-996.023855
Nuclear repulsion energy	218.941056

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	643	644	52.29
2	A	563	564	0.99
3	A	254	254	1.37
4	A	161	161	2.39
5	B	618	619	177.22
6	B	268	268	10.37

Atom	x (Å)	y (Å)	z (Å)
S1	-0.406	0.894	-0.417
S2	0.406	-0.894	-0.417
F3	0.406	1.886	0.741
F4	-0.406	-1.886	0.741

	S1	S2	F3	F4
S1		1.9636	1.7272	3.0116
S2	1.9636		3.0116	1.7272
F3	1.7272	3.0116		3.8589
F4	3.0116	1.7272	3.8589

Number	Element	Mulliken
1	S	0.293
2	S	0.293
3	F	-0.293
4	F	-0.293

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: BLYP/cc-pVDZ

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	-1.842	1.842
CHELPG
AIM
ESP

	x	y	z
x	3.517	-0.737	0.000
y	-0.737	8.346	0.000
z	0.000	0.000	3.667

<r²>	135.409
(<r²>)^1/2	11.637