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	hartrees
Energy at 0K	-995.539003
Energy at 298.15K	-995.539914
HF Energy	-995.337963
Nuclear repulsion energy	225.999510

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	748	710	65.02
2	A	593	563	0.29
3	A	272	258	0.75
4	A	180	171	3.11
5	B	720	684	175.76
6	B	303	288	12.21

Atom	x (Å)	y (Å)	z (Å)
S1	-0.402	0.880	-0.406
S2	0.402	-0.880	-0.406
F3	0.402	1.794	0.723
F4	-0.402	-1.794	0.723

	S1	S2	F3	F4
S1		1.9348	1.6599	2.9024
S2	1.9348		2.9024	1.6599
F3	1.6599	2.9024		3.6765
F4	2.9024	1.6599	3.6765

Number	Element	Mulliken
1	S	0.390
2	S	0.390
3	F	-0.390
4	F	-0.390

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: B2PLYP/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
x	3.665	-0.787	0.000
y	-0.787	7.777	0.000
z	0.000	0.000	3.691

<r²>	127.701
(<r²>)^1/2	11.300