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	hartrees
Energy at 0K	-996.153603
Energy at 298.15K	-996.154370
Nuclear repulsion energy	222.311438

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	631	629	72.57
2	A	583	581	0.99
3	A	268	268	1.61
4	A	167	167	1.69
5	B	599	597	217.79
6	B	285	284	11.72

Atom	x (Å)	y (Å)	z (Å)
S1	-0.396	0.882	-0.414
S2	0.396	-0.882	-0.414
F3	0.396	1.854	0.737
F4	-0.396	-1.854	0.737

	S1	S2	F3	F4
S1		1.9329	1.7017	2.9675
S2	1.9329		2.9675	1.7017
F3	1.7017	2.9675		3.7906
F4	2.9675	1.7017	3.7906

Number	Element	Mulliken
1	S	0.279
2	S	0.279
3	F	-0.279
4	F	-0.279

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: BLYP/cc-pVTZ

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	-1.717	1.717
CHELPG
AIM
ESP

	x	y	z
x	4.401	-0.736	0.000
y	-0.736	8.858	0.000
z	0.000	0.000	4.540

<r²>	132.120
(<r²>)^1/2	11.494