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	hartrees
Energy at 0K	-996.094058
Energy at 298.15K	-996.094919
HF Energy	-996.094058
Nuclear repulsion energy	225.122525

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	663	653	79.63
2	A	609	600	0.26
3	A	280	276	1.42
4	A	175	172	1.69
5	B	628	620	229.29
6	B	300	296	11.66

Atom	x (Å)	y (Å)	z (Å)
S1	-0.391	0.871	-0.410
S2	0.391	-0.871	-0.410
F3	0.391	1.829	0.728
F4	-0.391	-1.829	0.728

	S1	S2	F3	F4
S1		1.9100	1.6799	2.9301
S2	1.9100		2.9301	1.6799
F3	1.6799	2.9301		3.7400
F4	2.9301	1.6799	3.7400

Number	Element	Mulliken
1	S	0.268
2	S	0.268
3	F	-0.268
4	F	-0.268

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: B97D3/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	-1.589	1.589
CHELPG
AIM
ESP

	x	y	z
x	4.343	-0.719	0.000
y	-0.719	8.579	0.000
z	0.000	0.000	4.467

<r²>	129.049
(<r²>)^1/2	11.360