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	hartrees
Energy at 0K	-528.156165
Energy at 298.15K	-528.157014
HF Energy	-528.156165
Nuclear repulsion energy	88.351972

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	1650	1588	505.05	21.85	0.37	0.54
2	A'	815	784	32.27	16.91	0.18	0.30
3	A'	508	489	2.01	2.37	0.74	0.85

Atom	x (Å)	y (Å)
N1	0.000	0.614
S2	-0.503	-0.889
O3	1.007	1.240

	N1	S2	O3
N1		1.5844	1.1858
S2	1.5844		2.6099
O3	1.1858	2.6099

Number	Element	Mulliken
1	N	0.134
2	S	0.033
3	O	-0.166

All results from a given calculation for SNO (Nitrogen oxide sulfide)

using model chemistry: B3LYP/Def2TZVPP

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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	x	y	z	Total
	-0.394	-0.697	0.000	0.800
CHELPG
AIM
ESP

	x	y	z
x	4.125	2.171	0.000
y	2.171	6.473	0.000
z	0.000	0.000	2.548

<r²>	54.414
(<r²>)^1/2	7.377