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	hartrees
Energy at 0K	-528.148790
Energy at 298.15K	-528.149481
HF Energy	-528.148790
Nuclear repulsion energy	96.979989

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'	1220	1175	92.80	8.55	0.52	0.69
2	A'	1024	986	16.17	23.38	0.21	0.35
3	A'	310	299	31.26	5.28	0.63	0.77

Atom	x (Å)	y (Å)
S1	0.000	0.338
N2	1.393	-0.241
O3	-1.219	-0.465

	S1	N2	O3
S1		1.5087	1.4599
N2	1.5087		2.6224
O3	1.4599	2.6224

Number	Element	Mulliken
1	S	0.585
2	N	-0.209
3	O	-0.376

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

using model chemistry: B3LYP/Def2TZVPP

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
	-0.003	1.375	0.000	1.375
CHELPG
AIM
ESP

	x	y	z
x	5.836	-0.059	0.000
y	-0.059	3.098	0.000
z	0.000	0.000	2.487

<r²>	44.529
(<r²>)^1/2	6.673