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	hartrees
Energy at 0K	-526.451569
Energy at 298.15K
HF Energy	-526.451569
Nuclear repulsion energy	97.303240

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1296	1296	45.02
2	A'	1052	1052	32.17
3	A'	370	370	16.55

Atom	x (Å)	y (Å)
S1	0.000	0.283
N2	1.429	-0.105
O3	-1.250	-0.475

	S1	N2	O3
S1		1.4808	1.4622
N2	1.4808		2.7050
O3	1.4622	2.7050

Number	Element	Mulliken
1	S	0.533
2	N	-0.242
3	O	-0.292

All results from a given calculation for NSO (sulfinyl amidogen)

using model chemistry: LSDA/cc-pCVTZ

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
	-0.412	0.948	0.000	1.034
CHELPG
AIM
ESP

	x	y	z
x	5.962	0.123	0.000
y	0.123	2.949	0.000
z	0.000	0.000	2.535

<r²>	44.909
(<r²>)^1/2	6.701