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	hartrees
Energy at 0K	-528.156775
Energy at 298.15K	-528.157626
HF Energy	-528.156775
Nuclear repulsion energy	88.131937

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'	1642	1588	517.79	23.93	0.67	0.80
2	A'	806	780	35.89	20.87	0.12	0.21
3	A'	510	493	1.83	1.08	0.52	0.68

Atom	x (Å)	y (Å)
N1	0.000	0.620
S2	-0.506	-0.890
O3	1.012	1.237

	N1	S2	O3
N1		1.5925	1.1855
S2	1.5925		2.6133
O3	1.1855	2.6133

Number	Element	Mulliken
1	N	0.060
2	S	0.260
3	O	-0.320

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

using model chemistry: B3LYP/aug-cc-pVTZ

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
	-0.373	-0.638	0.000	0.739
CHELPG
AIM
ESP

	x	y	z
x	5.289	1.920	0.000
y	1.920	7.187	0.000
z	0.000	0.000	3.649

<r²>	54.712
(<r²>)^1/2	7.397