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	hartrees
Energy at 0K	-996.000484
Energy at 298.15K	-996.001369
HF Energy	-996.000484
Nuclear repulsion energy	225.378808

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	732	702	62.52
2	A	594	570	0.14
3	A	271	260	0.69
4	A	177	170	2.79
5	B	702	673	184.75
6	B	297	285	11.23

Atom	x (Å)	y (Å)	z (Å)
S1	-0.399	0.891	-0.399
S2	0.399	-0.891	-0.399
F3	0.399	1.803	0.709
F4	-0.399	-1.803	0.709

	S1	S2	F3	F4
S1		1.9534	1.6424	2.9138
S2	1.9534		2.9138	1.6424
F3	1.6424	2.9138		3.6942
F4	2.9138	1.6424	3.6942

Number	Element	Mulliken
1	S	0.335
2	S	0.335
3	F	-0.335
4	F	-0.335

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: TPSSh/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	-1.438	1.438
CHELPG
AIM
ESP

	x	y	z
x	3.675	-0.787	0.000
y	-0.787	8.003	0.000
z	0.000	0.000	3.718

<r²>	128.664
(<r²>)^1/2	11.343