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	hartrees
Energy at 0K	-995.856040
Energy at 298.15K	-995.856940
Nuclear repulsion energy	225.632354

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	705	677	96.89
2	A	610	585	1.73
3	A	278	266	1.27
4	A	178	171	2.94
5	B	672	645	239.04
6	B	306	293	15.72

Atom	x (Å)	y (Å)	z (Å)
S1	-0.398	0.874	-0.412
S2	0.398	-0.874	-0.412
F3	0.398	1.800	0.733
F4	-0.398	-1.800	0.733

	S1	S2	F3	F4
S1		1.9202	1.6739	2.9079
S2	1.9202		2.9079	1.6739
F3	1.6739	2.9079		3.6862
F4	2.9079	1.6739	3.6862

Number	Element	Mulliken
1	S	0.307
2	S	0.307
3	F	-0.307
4	F	-0.307

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: B3PW91/6-31+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	-1.872	1.872
CHELPG
AIM
ESP

	x	y	z
x	4.563	-0.612	0.000
y	-0.612	8.630	0.000
z	0.000	0.000	4.719

<r²>	128.409
(<r²>)^1/2	11.332