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	hartrees
Energy at 0K	-993.682042
Energy at 298.15K	-993.682773
Nuclear repulsion energy	215.295009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	826	746	37.28
2	A	482	435	0.73
3	A	228	206	0.01
4	A	129	117	6.21
5	B	816	736	73.86
6	B	275	249	14.03

Atom	x (Å)	y (Å)	z (Å)
S1	-0.476	0.962	-0.426
S2	0.476	-0.962	-0.426
F3	0.476	1.756	0.757
F4	-0.476	-1.756	0.757

	S1	S2	F3	F4
S1		2.1459	1.7131	2.9638
S2	2.1459		2.9638	1.7131
F3	1.7131	2.9638		3.6375
F4	2.9638	1.7131	3.6375

Number	Element	Mulliken
1	S	0.472
2	S	0.472
3	F	-0.472
4	F	-0.472

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: HF/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	Total
	0.000	0.000	-2.779	2.779
CHELPG
AIM
ESP

	x	y	z
x	3.667	-0.969	0.000
y	-0.969	7.871	0.000
z	0.000	0.000	3.513

<r²>	135.936
(<r²>)^1/2	11.659