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	hartrees
Energy at 0K	-527.687714
Energy at 298.15K	-527.688512
HF Energy	-527.687714
Nuclear repulsion energy	85.027331

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'	1628	1556	396.08	15.81	0.37	0.55
2	A'	719	687	26.94	15.30	0.24	0.39
3	A'	492	471	0.74	4.98	0.72	0.84

Atom	x (Å)	y (Å)
N1	0.000	0.667
S2	-0.520	-0.929
O3	1.040	1.274

	N1	S2	O3
N1		1.6778	1.2043
S2	1.6778		2.6989
O3	1.2043	2.6989

Number	Element	Mulliken
1	N	-0.059
2	S	0.262
3	O	-0.204

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
	-0.117	-0.487	0.000	0.501
CHELPG
AIM
ESP

	x	y	z
x	3.361	2.342	0.000
y	2.342	5.939	0.000
z	0.000	0.000	1.633

<r²>	57.841
(<r²>)^1/2	7.605