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	hartrees
Energy at 0K	-528.097014
Energy at 298.15K	-528.097856
HF Energy	-528.097014
Nuclear repulsion energy	87.315230

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'	1691	1640	428.29	17.39	0.35	0.52
2	A'	787	763	34.44	14.09	0.24	0.38
3	A'	507	492	1.68	2.93	0.73	0.84

Atom	x (Å)	y (Å)
N1	0.000	0.638
S2	-0.513	-0.898
O3	1.025	1.237

	N1	S2	O3
N1		1.6184	1.1877
S2	1.6184		2.6311
O3	1.1877	2.6311

Number	Element	Mulliken
1	N	0.047
2	S	0.056
3	O	-0.103

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

using model chemistry: B3LYPultrafine/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
	-0.245	-0.438	0.000	0.502
CHELPG
AIM
ESP

	x	y	z
x	3.414	2.145	0.000
y	2.145	5.619	0.000
z	0.000	0.000	1.834

<r²>	55.041
(<r²>)^1/2	7.419