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	hartrees
Energy at 0K	-993.055727
Energy at 298.15K	-993.056694
Nuclear repulsion energy	229.317487

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	750	738	64.10
2	A	644	633	0.61
3	A	286	282	0.72
4	A	179	176	1.26
5	B	713	702	197.57
6	B	302	297	8.92

Atom	x (Å)	y (Å)	z (Å)
S1	-0.379	0.868	-0.394
S2	0.379	-0.868	-0.394
F3	0.379	1.808	0.701
F4	-0.379	-1.808	0.701

	S1	S2	F3	F4
S1		1.8940	1.6302	2.8918
S2	1.8940		2.8918	1.6302
F3	1.6302	2.8918		3.6949
F4	2.8918	1.6302	3.6949

Number	Element	Mulliken
1	S	0.118
2	S	0.118
3	F	-0.118
4	F	-0.118

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: LSDA/6-31G(2df,p)

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	-0.998	0.998
CHELPG
AIM
ESP

	x	y	z
x	4.352	-0.744	0.000
y	-0.744	8.322	0.000
z	0.000	0.000	4.369

<r²>	125.560
(<r²>)^1/2	11.205