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	hartrees
Energy at 0K	-528.064970
Energy at 298.15K	-528.065838
HF Energy	-528.064970
Nuclear repulsion energy	88.376478

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'	1720	1643	594.45	29.51	0.30	0.47
2	A'	830	793	48.45	15.86	0.22	0.36
3	A'	522	499	2.40	4.10	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.000	0.625
S2	-0.505	-0.888
O3	1.009	1.229

	N1	S2	O3
N1		1.5948	1.1764
S2	1.5948		2.6029
O3	1.1764	2.6029

Number	Element	Mulliken
1	N	0.062
2	S	0.015
3	O	-0.076

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

using model chemistry: wB97X-D/TZVP

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-0.253	-0.509	0.000	0.569
CHELPG
AIM
ESP

	x	y	z
x	3.702	2.354	0.000
y	2.354	6.386	0.000
z	0.000	0.000	1.986

<r²>	54.334
(<r²>)^1/2	7.371