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	hartrees
Energy at 0K	-67.401457
Energy at 298.15K	-67.402194
Nuclear repulsion energy	56.556739

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	778	710	58.10
2	A	505	461	0.50
3	A	227	207	0.01
4	A	130	119	6.75
5	B	767	700	97.99
6	B	277	252	17.20

Atom	x (Å)	y (Å)	z (Å)
S1	-0.474	0.960	-0.437
S2	0.474	-0.960	-0.437
F3	0.474	1.759	0.777
F4	-0.474	-1.759	0.777

	S1	S2	F3	F4
S1		2.1418	1.7353	2.9775
S2	2.1418		2.9775	1.7353
F3	1.7353	2.9775		3.6427
F4	2.9775	1.7353	3.6427

Number	Element	Mulliken
1	S	0.465
2	S	0.465
3	F	-0.465
4	F	-0.465

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	-3.092	3.092
CHELPG
AIM
ESP

	x	y	z
x	3.998	-0.768	0.000
y	-0.768	8.157	0.000
z	0.000	0.000	4.064

<r²>	93.714
(<r²>)^1/2	9.681