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	hartrees
Energy at 0K	-528.157294
Energy at 298.15K
HF Energy	-528.157294
Nuclear repulsion energy	96.705976

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1225	1225	74.02
2	A'	1014	1014	19.30
3	A'	299	299	25.70

Atom	x (Å)	y (Å)
S1	0.000	0.326
N2	1.409	-0.214
O3	-1.233	-0.464

	S1	N2	O3
S1		1.5088	1.4642
N2	1.5088		2.6540
O3	1.4642	2.6540

Number	Element	Mulliken
1	S	0.579
2	N	-0.227
3	O	-0.352

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

using model chemistry: TPSSh/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
	-0.095	1.152	0.000	1.156
CHELPG
AIM
ESP

	x	y	z
x	5.762	-0.027	0.000
y	-0.027	2.988	0.000
z	0.000	0.000	2.513

<r²>	44.676
(<r²>)^1/2	6.684