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	hartrees
Energy at 0K	-525.186259
Energy at 298.15K	-525.187083
HF Energy	-525.186259
Nuclear repulsion energy	86.983534

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'	1442	1385	312.89	11.18	0.39	0.56
2	A'	839	806	13.37	13.26	0.24	0.39
3	A'	475	456	1.32	2.93	0.74	0.85

Atom	x (Å)	y (Å)
N1	0.000	0.606
S2	-0.527	-0.887
O3	1.055	1.244

	N1	S2	O3
N1		1.5835	1.2329
S2	1.5835		2.6544
O3	1.2329	2.6544

Number	Element	Mulliken
1	N	0.064
2	S	0.173
3	O	-0.237

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

using model chemistry: PBE1PBE/3-21G

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
	-0.329	-0.667	0.000	0.743
CHELPG
AIM
ESP

	x	y	z
x	3.296	2.178	0.000
y	2.178	5.162	0.000
z	0.000	0.000	1.625

<r²>	55.548
(<r²>)^1/2	7.453