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	hartrees
Energy at 0K	-528.086987
Energy at 298.15K
HF Energy	-528.086987
Nuclear repulsion energy	96.298199

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1190	1190	55.22
2	A'	987	987	24.71
3	A'	313	313	19.40

Atom	x (Å)	y (Å)
S1	0.000	0.309
N2	1.429	-0.169
O3	-1.250	-0.471

	S1	N2	O3
S1		1.5068	1.4735
N2	1.5068		2.6955
O3	1.4735	2.6955

Number	Element	Mulliken
1	S	0.564
2	N	-0.234
3	O	-0.330

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

using model chemistry: B97D3/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
	-0.196	1.045	0.000	1.064
CHELPG
AIM
ESP

	x	y	z
x	5.990	0.031	0.000
y	0.031	3.000	0.000
z	0.000	0.000	2.535

<r²>	45.125
(<r²>)^1/2	6.718