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	hartrees
Energy at 0K	-990.519680
Energy at 298.15K	-990.520177
HF Energy	-990.519680
Nuclear repulsion energy	210.860173

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	750	722	14.76
2	A	401	386	0.00
3	A	187	181	0.03
4	A	144	138	2.77
5	B	736	709	69.66
6	B	219	211	4.85

Atom	x (Å)	y (Å)	z (Å)
S1	-0.454	1.001	-0.423
S2	0.454	-1.001	-0.423
F3	0.454	1.863	0.751
F4	-0.454	-1.863	0.751

	S1	S2	F3	F4
S1		2.1980	1.7162	3.0947
S2	2.1980		3.0947	1.7162
F3	1.7162	3.0947		3.8342
F4	3.0947	1.7162	3.8342

Number	Element	Mulliken
1	S	0.306
2	S	0.306
3	F	-0.306
4	F	-0.306

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: HSEh1PBE/3-21G

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	-1.500	1.500
CHELPG
AIM
ESP

	x	y	z
x	3.156	-1.086	0.000
y	-1.086	8.297	0.000
z	0.000	0.000	3.062

<r²>	143.335
(<r²>)^1/2	11.972