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	hartrees
Energy at 0K	-527.780814
Energy at 298.15K	-527.781649
HF Energy	-527.780814
Nuclear repulsion energy	87.366165

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'	1629	1613	347.61	11.55	0.47	0.64
2	A'	788	780	22.76	17.10	0.18	0.30
3	A'	501	496	1.40	2.05	0.63	0.77

Atom	x (Å)	y (Å)
N1	0.000	0.627
S2	-0.518	-0.891
O3	1.036	1.233

	N1	S2	O3
N1		1.6042	1.2004
S2	1.6042		2.6322
O3	1.2004	2.6322

Number	Element	Mulliken
1	N	0.227
2	S	-0.058
3	O	-0.169

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

using model chemistry: PBEPBE/6-31G(2df,p)

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
	-0.176	-0.399	0.000	0.436
CHELPG
AIM
ESP

	x	y	z
x	4.081	1.957	0.000
y	1.957	6.021	0.000
z	0.000	0.000	2.606

<r²>	54.904
(<r²>)^1/2	7.410