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	hartrees
Energy at 0K	-528.112208
Energy at 298.15K	-528.113053
HF Energy	-528.112208
Nuclear repulsion energy	87.406163

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'	1657	1657	505.48	23.32	0.68	0.81
2	A'	791	791	37.26	22.45	0.12	0.21
3	A'	506	506	1.30	1.17	0.45	0.62

Atom	x (Å)	y (Å)
N1	0.000	0.634
S2	-0.515	-0.894
O3	1.030	1.233

	N1	S2	O3
N1		1.6126	1.1909
S2	1.6126		2.6283
O3	1.1909	2.6283

Number	Element	Mulliken
1	N	0.202
2	S	0.019
3	O	-0.221

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

using model chemistry: B3LYPultrafine/daug-cc-pVDZ

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
	-0.337	-0.598	0.000	0.687
CHELPG
AIM
ESP

	x	y	z
x	5.381	1.942	0.000
y	1.942	7.254	0.000
z	0.000	0.000	3.714

<r²>	55.329
(<r²>)^1/2	7.438