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	hartrees
Energy at 0K	-528.134603
Energy at 298.15K
HF Energy	-528.134603
Nuclear repulsion energy	95.696032

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1159	1154	46.87
2	A'	969	965	26.06
3	A'	323	322	19.41

Atom	x (Å)	y (Å)
S1	0.000	0.307
N2	1.440	-0.154
O3	-1.260	-0.479

	S1	N2	O3
S1		1.5122	1.4852
N2	1.5122		2.7194
O3	1.4852	2.7194

Number	Element	Mulliken
1	S	0.589
2	N	-0.248
3	O	-0.341

All results from a given calculation for NSO (sulfinyl amidogen)

using model chemistry: BLYP/cc-pV(T+d)Z

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
	-0.219	1.064	0.000	1.087
CHELPG
AIM
ESP

	x	y	z
x	6.061	0.081	0.000
y	0.081	2.981	0.000
z	0.000	0.000	2.516

<r²>	45.764
(<r²>)^1/2	6.765