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	hartrees
Energy at 0K	-993.014311
Energy at 298.15K	-993.015219
Nuclear repulsion energy	226.604898

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	747	733	63.22
2	A	627	615	0.08
3	A	276	271	0.89
4	A	175	171	2.33
5	B	715	702	202.71
6	B	290	284	10.19

Atom	x (Å)	y (Å)	z (Å)
S1	-0.385	0.874	-0.398
S2	0.385	-0.874	-0.398
F3	0.385	1.834	0.707
F4	-0.385	-1.834	0.707

	S1	S2	F3	F4
S1		1.9110	1.6535	2.9248
S2	1.9110		2.9248	1.6535
F3	1.6535	2.9248		3.7476
F4	2.9248	1.6535	3.7476

Number	Element	Mulliken
1	S	0.299
2	S	0.299
3	F	-0.299
4	F	-0.299

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: LSDA/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	-1.283	1.283
CHELPG
AIM
ESP

	x	y	z
x	3.676	-0.836	0.000
y	-0.836	8.227	0.000
z	0.000	0.000	3.689

<r²>	128.438
(<r²>)^1/2	11.333