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	hartrees
Energy at 0K	-995.495666
Energy at 298.15K	-995.496445
Nuclear repulsion energy	222.207650

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	643	636	88.69
2	A	612	605	1.18
3	A	269	266	1.80
4	A	166	165	2.43
5	B	607	600	248.93
6	B	283	280	13.85

Atom	x (Å)	y (Å)	z (Å)
S1	-0.396	0.876	-0.416
S2	0.396	-0.876	-0.416
F3	0.396	1.858	0.739
F4	-0.396	-1.858	0.739

	S1	S2	F3	F4
S1		1.9219	1.7107	2.9677
S2	1.9219		2.9677	1.7107
F3	1.7107	2.9677		3.7996
F4	2.9677	1.7107	3.7996

Number	Element	Mulliken
1	S	0.294
2	S	0.294
3	F	-0.294
4	F	-0.294

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: PBEPBE/6-31+G**

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	-1.960	1.960
CHELPG
AIM
ESP

	x	y	z
x	4.754	-0.574	0.000
y	-0.574	9.485	0.000
z	0.000	0.000	4.995

<r²>	132.804
(<r²>)^1/2	11.524