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	hartrees
Energy at 0K	-528.142799
Energy at 298.15K	-528.143664
HF Energy	-528.142799
Nuclear repulsion energy	88.766476

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'	1723	1649	520.90	21.96	0.42	0.59
2	A'	845	809	35.20	16.44	0.18	0.31
3	A'	512	490	2.61	1.98	0.74	0.85

Atom	x (Å)	y (Å)
N1	0.000	0.613
S2	-0.498	-0.887
O3	0.996	1.238

	N1	S2	O3
N1		1.5804	1.1762
S2	1.5804		2.5981
O3	1.1762	2.5981

Number	Element	Mulliken
1	N	0.092
2	S	0.018
3	O	-0.110

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

using model chemistry: B1B95/cc-pVTZ

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
	-0.317	-0.533	0.000	0.620
CHELPG
AIM
ESP

	x	y	z
x	4.032	2.057	0.000
y	2.057	6.200	0.000
z	0.000	0.000	2.512

<r²>	53.895
(<r²>)^1/2	7.341