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	hartrees
Energy at 0K	-521.911350
Energy at 298.15K	-521.912139
HF Energy	-521.911350
Nuclear repulsion energy	84.844441

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'	1665	1463	62.06	7.97	0.39	0.56
2	A'	907	797	2.83	13.36	0.24	0.38
3	A'	486	427	0.54	1.50	0.74	0.85

Atom	x (Å)	y (Å)
N1	0.000	0.653
S2	-0.583	-0.869
O3	1.166	1.167

	N1	S2	O3
N1		1.6296	1.2749
S2	1.6296		2.6847
O3	1.2749	2.6847

Number	Element	Mulliken
1	N	-0.127
2	S	0.178
3	O	-0.050

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

using model chemistry: mPW1PW91/STO-3G

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
	-0.173	-0.731	0.000	0.751
CHELPG
AIM
ESP

	x	y	z
x	2.017	1.749	0.000
y	1.749	3.115	0.000
z	0.000	0.000	0.607

<r²>	55.008
(<r²>)^1/2	7.417