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	hartrees
Energy at 0K	-525.381186
Energy at 298.15K	-525.381932
HF Energy	-525.381186
Nuclear repulsion energy	83.725521

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'	1372	1329	256.95	11.23	0.31	0.47
2	A'	699	677	18.61	13.48	0.30	0.47
3	A'	447	433	0.64	4.60	0.72	0.84

Atom	x (Å)	y (Å)
N1	0.000	0.674
S2	-0.544	-0.928
O3	1.088	1.266

	N1	S2	O3
N1		1.6920	1.2386
S2	1.6920		2.7344
O3	1.2386	2.7344

Number	Element	Mulliken
1	N	-0.044
2	S	0.235
3	O	-0.191

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

using model chemistry: TPSSh/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
	0.045	-0.220	0.000	0.224
CHELPG
AIM
ESP

	x	y	z
x	3.095	2.293	0.000
y	2.293	5.348	0.000
z	0.000	0.000	1.391

<r²>	58.803
(<r²>)^1/2	7.668