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	hartrees
Energy at 0K	-67.545395
Energy at 298.15K	-67.546465
Nuclear repulsion energy	60.092754

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	846	764	113.50
2	A	594	537	0.05
3	A	292	264	0.11
4	A	183	165	3.96
5	B	819	740	200.79
6	B	347	313	18.19

Atom	x (Å)	y (Å)	z (Å)
S1	-0.411	0.894	-0.408
S2	0.411	-0.894	-0.408
F3	0.411	1.714	0.725
F4	-0.411	-1.714	0.725

	S1	S2	F3	F4
S1		1.9671	1.6215	2.8425
S2	1.9671		2.8425	1.6215
F3	1.6215	2.8425		3.5244
F4	2.8425	1.6215	3.5244

Number	Element	Mulliken
1	S	0.365
2	S	0.365
3	F	-0.365
4	F	-0.365

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: HF/CEP-121G*

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	-1.838	1.838
CHELPG
AIM
ESP

	x	y	z
x	3.989	-0.621	0.000
y	-0.621	7.066	0.000
z	0.000	0.000	4.024

<r²>	86.010
(<r²>)^1/2	9.274