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	hartrees
Energy at 0K	-551.345956
Energy at 298.15K	-551.346739
HF Energy	-551.345956
Nuclear repulsion energy	100.119965

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1423	1296	20.47
2	A'	747	680	267.75
3	A'	428	389	16.92

Atom	x (Å)	y (Å)
S1	0.000	0.447
N2	1.377	0.022
F3	-1.071	-0.811

	S1	N2	F3
S1		1.4414	1.6526
N2	1.4414		2.5862
F3	1.6526	2.5862

Number	Element	Mulliken
1	S	1.210
2	N	-0.605
3	F	-0.605

All results from a given calculation for FSN (Thiazyl fluoride)

using model chemistry: HF/aug-cc-pVDZ

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
	-0.846	1.955	0.000	2.130
CHELPG
AIM
ESP

	x	y	z
x	4.999	0.136	0.000
y	0.136	3.421	0.000
z	0.000	0.000	2.826

<r²>	47.754
(<r²>)^1/2	6.910