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	hartrees
Energy at 0K	-527.929448
Energy at 298.15K	-527.930190
HF Energy	-527.929448
Nuclear repulsion energy	83.488624

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'	1489	1489	302.90	10.57	0.42	0.59
2	A'	638	638	20.27	15.70	0.26	0.41
3	A'	474	474	0.06	6.41	0.63	0.78

Atom	x (Å)	y (Å)
N1	0.000	0.691
S2	-0.539	-0.938
O3	1.078	1.271

	N1	S2	O3
N1		1.7154	1.2246
S2	1.7154		2.7379
O3	1.2246	2.7379

Number	Element	Mulliken
1	N	-0.061
2	S	0.249
3	O	-0.188

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

using model chemistry: B97D3/6-31G

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
	-0.094	-0.578	0.000	0.586
CHELPG
AIM
ESP

	x	y	z
x	3.465	2.399	0.000
y	2.399	5.981	0.000
z	0.000	0.000	1.651

<r²>	59.102
(<r²>)^1/2	7.688