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	hartrees
Energy at 0K	-528.078306
Energy at 298.15K	-528.079177
HF Energy	-528.078306
Nuclear repulsion energy	89.090183

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'	1721	1721	592.21	27.83	0.63	0.77
2	A'	861	861	40.83	20.50	0.12	0.21
3	A'	514	514	2.80	1.04	0.70	0.82

Atom	x (Å)	y (Å)
N1	0.000	0.606
S2	-0.498	-0.882
O3	0.996	1.234

	N1	S2	O3
N1		1.5693	1.1772
S2	1.5693		2.5902
O3	1.1772	2.5902

Number	Element	Mulliken
1	N	0.226
2	S	0.048
3	O	-0.274

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

using model chemistry: wB97X-D/6-311+G(3df,2p)

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
	-0.377	-0.601	0.000	0.709
CHELPG
AIM
ESP

	x	y	z
x	5.000	1.924	0.000
y	1.924	6.994	0.000
z	0.000	0.000	3.396

<r²>	53.766
(<r²>)^1/2	7.333