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	hartrees
Energy at 0K	-528.035026
Energy at 298.15K	-528.035851
HF Energy	-528.035026
Nuclear repulsion energy	86.703613

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'	1630	1616	357.76	12.56	0.37	0.54
2	A'	749	743	27.34	14.74	0.24	0.39
3	A'	505	500	0.79	3.61	0.69	0.82

Atom	x (Å)	y (Å)
N1	0.000	0.648
S2	-0.522	-0.899
O3	1.044	1.230

	N1	S2	O3
N1		1.6327	1.1958
S2	1.6327		2.6436
O3	1.1958	2.6436

Number	Element	Mulliken
1	N	0.032
2	S	0.065
3	O	-0.097

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

using model chemistry: B97D3/cc-pVDZ

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
	-0.196	-0.451	0.000	0.491
CHELPG
AIM
ESP

	x	y	z
x	3.474	2.159	0.000
y	2.159	5.627	0.000
z	0.000	0.000	1.847

<r²>	55.406
(<r²>)^1/2	7.444