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	hartrees
Energy at 0K	-527.772541
Energy at 298.15K	-527.773407
HF Energy	-527.772541
Nuclear repulsion energy	88.183046

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'	1753	1670	475.19	19.38	0.38	0.56
2	A'	839	800	36.34	15.67	0.21	0.35
3	A'	521	497	2.27	2.46	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.000	0.623
S2	-0.511	-0.885
O3	1.022	1.225

	N1	S2	O3
N1		1.5924	1.1857
S2	1.5924		2.6079
O3	1.1857	2.6079

Number	Element	Mulliken
1	N	0.080
2	S	0.129
3	O	-0.210

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

using model chemistry: PBE1PBE/6-31G**

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
	-0.224	-0.416	0.000	0.472
CHELPG
AIM
ESP

	x	y	z
x	3.577	2.112	0.000
y	2.112	5.756	0.000
z	0.000	0.000	1.989

<r²>	54.314
(<r²>)^1/2	7.370