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	hartrees
Energy at 0K	-528.105325
Energy at 298.15K	-528.105987
HF Energy	-528.105325
Nuclear repulsion energy	94.954184

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'	1128	1087	101.89	10.71	0.53	0.70
2	A'	970	935	7.31	27.21	0.22	0.36
3	A'	301	290	42.55	5.72	0.73	0.85

Atom	x (Å)	y (Å)
S1	0.000	0.367
N2	1.401	-0.280
O3	-1.226	-0.488

	S1	N2	O3
S1		1.5433	1.4950
N2	1.5433		2.6358
O3	1.4950	2.6358

Number	Element	Mulliken
1	S	0.575
2	N	-0.194
3	O	-0.381

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

using model chemistry: B3LYPultrafine/TZVP

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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	x	y	z	Total
	0.261	1.714	0.000	1.734
CHELPG
AIM
ESP

	x	y	z
x	6.016	-0.055	0.000
y	-0.055	2.969	0.000
z	0.000	0.000	2.112

<r²>	45.725
(<r²>)^1/2	6.762