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	hartrees
Energy at 0K	-528.161404
Energy at 298.15K
HF Energy	-528.161404
Nuclear repulsion energy	88.102173

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1641	1641	448.77
2	A'	810	810	28.88
3	A'	506	506	2.06

Atom	x (Å)	y (Å)
N1	0.000	0.616
S2	-0.506	-0.890
O3	1.013	1.240

	N1	S2	O3
N1		1.5888	1.1897
S2	1.5888		2.6163
O3	1.1897	2.6163

Number	Element	Mulliken
1	N	0.075
2	S	0.044
3	O	-0.119

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

using model chemistry: TPSSh/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
	-0.293	-0.541	0.000	0.615
CHELPG
AIM
ESP

	x	y	z
x	4.098	2.090	0.000
y	2.090	6.232	0.000
z	0.000	0.000	2.527

<r²>	54.460
(<r²>)^1/2	7.380