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	hartrees
Energy at 0K	-996.120960
Energy at 298.15K	-996.121897
Nuclear repulsion energy	225.756241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	725	695	87.84
2	A	618	592	3.27
3	A	277	265	1.25
4	A	179	171	1.80
5	B	693	664	225.82
6	B	305	293	13.99

Atom	x (Å)	y (Å)	z (Å)
S1	-0.402	0.871	-0.415
S2	0.402	-0.871	-0.415
F3	0.402	1.787	0.737
F4	-0.402	-1.787	0.737

	S1	S2	F3	F4
S1		1.9194	1.6770	2.8973
S2	1.9194		2.8973	1.6770
F3	1.6770	2.8973		3.6641
F4	2.8973	1.6770	3.6641

Number	Element	Mulliken
1	S	0.425
2	S	0.425
3	F	-0.425
4	F	-0.425

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: B1B95/aug-cc-pVDZ

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	-1.742	1.742
CHELPG
AIM
ESP

	x	y	z
x	5.267	-0.504	0.000
y	-0.504	8.904	0.000
z	0.000	0.000	5.474

<r²>	127.583
(<r²>)^1/2	11.295