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	hartrees
Energy at 0K	-528.155849
Energy at 298.15K
HF Energy	-528.155849
Nuclear repulsion energy	88.295335

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1653	1595	481.28
2	A'	812	784	32.37
3	A'	507	489	2.20

Atom	x (Å)	y (Å)
N1	0.000	0.615
S2	-0.504	-0.889
O3	1.008	1.240

	N1	S2	O3
N1		1.5860	1.1861
S2	1.5860		2.6111
O3	1.1861	2.6111

Number	Element	Mulliken
1	N	0.058
2	S	0.056
3	O	-0.114

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

using model chemistry: B3LYP/cc-pV(T+d)Z

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
	-0.368	-0.635	0.000	0.734
CHELPG
AIM
ESP

	x	y	z
x	4.085	2.099	0.000
y	2.099	6.255	0.000
z	0.000	0.000	2.519

<r²>	54.403
(<r²>)^1/2	7.376