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	hartrees
Energy at 0K	-528.153383
Energy at 298.15K
HF Energy	-528.153383
Nuclear repulsion energy	96.935172

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1227	1227	84.96
2	A'	1025	1025	15.87
3	A'	317	317	31.22

Atom	x (Å)	y (Å)
S1	0.000	0.335
N2	1.397	-0.237
O3	-1.222	-0.463

	S1	N2	O3
S1		1.5094	1.4599
N2	1.5094		2.6287
O3	1.4599	2.6287

Number	Element	Mulliken
1	S	0.608
2	N	-0.232
3	O	-0.376

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

using model chemistry: B3LYP/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
	-0.035	1.331	0.000	1.331
CHELPG
AIM
ESP

	x	y	z
x	5.622	-0.053	0.000
y	-0.053	2.993	0.000
z	0.000	0.000	2.497

<r²>	44.507
(<r²>)^1/2	6.671