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	hartrees
Energy at 0K	-528.092696
Energy at 298.15K	-528.093530
HF Energy	-528.092696
Nuclear repulsion energy	87.745662

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'	1595	1573	407.92	16.60	0.38	0.55
2	A'	777	767	24.56	17.44	0.18	0.31
3	A'	506	499	1.19	2.82	0.71	0.83

Atom	x (Å)	y (Å)
N1	0.000	0.624
S2	-0.514	-0.889
O3	1.027	1.233

	N1	S2	O3
N1		1.5976	1.1941
S2	1.5976		2.6222
O3	1.1941	2.6222

Number	Element	Mulliken
1	N	0.126
2	S	0.025
3	O	-0.151

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

using model chemistry: B97D3/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
	-0.325	-0.653	0.000	0.729
CHELPG
AIM
ESP

	x	y	z
x	4.186	2.174	0.000
y	2.174	6.457	0.000
z	0.000	0.000	2.568

<r²>	54.710
(<r²>)^1/2	7.397