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	hartrees
Energy at 0K	-528.081765
Energy at 298.15K
HF Energy	-528.081765
Nuclear repulsion energy	96.392008

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1193	1193	55.81
2	A'	990	990	25.24
3	A'	315	315	19.37

Atom	x (Å)	y (Å)
S1	0.000	0.308
N2	1.428	-0.167
O3	-1.249	-0.470

	S1	N2	O3
S1		1.5050	1.4721
N2	1.5050		2.6946
O3	1.4721	2.6946

Number	Element	Mulliken
1	S	0.583
2	N	-0.245
3	O	-0.338

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

using model chemistry: B97D3/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
	-0.207	1.038	0.000	1.058
CHELPG
AIM
ESP

	x	y	z
x	5.977	0.032	0.000
y	0.032	2.974	0.000
z	0.000	0.000	2.509

<r²>	45.090
(<r²>)^1/2	6.715