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	hartrees
Energy at 0K	-528.065196
Energy at 298.15K	-528.066037
HF Energy	-528.065196
Nuclear repulsion energy	87.527125

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'	1685	1614	433.85	17.77	0.38	0.56
2	A'	800	767	33.78	15.45	0.22	0.36
3	A'	510	489	1.77	2.54	0.74	0.85

Atom	x (Å)	y (Å)
N1	0.000	0.630
S2	-0.517	-0.890
O3	1.034	1.228

	N1	S2	O3
N1		1.6058	1.1942
S2	1.6058		2.6251
O3	1.1942	2.6251

Number	Element	Mulliken
1	N	0.078
2	S	0.130
3	O	-0.208

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

using model chemistry: B3LYPultrafine/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
	-0.248	-0.470	0.000	0.531
CHELPG
AIM
ESP

	x	y	z
x	3.600	2.134	0.000
y	2.134	5.761	0.000
z	0.000	0.000	1.991

<r²>	54.885
(<r²>)^1/2	7.408