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	hartrees
Energy at 0K	-527.754319
Energy at 298.15K	-527.754987
HF Energy	-527.754319
Nuclear repulsion energy	93.578566

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'	1108	1101	34.46	5.90	0.69	0.82
2	A'	952	947	24.08	23.30	0.27	0.43
3	A'	312	310	19.43	4.53	0.66	0.79

Atom	x (Å)	y (Å)
S1	0.000	0.318
N2	1.467	-0.149
O3	-1.284	-0.506

	S1	N2	O3
S1		1.5398	1.5254
N2	1.5398		2.7743
O3	1.5254	2.7743

Number	Element	Mulliken
1	S	0.576
2	N	-0.244
3	O	-0.333

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

using model chemistry: PBEPBE/cc-pVDZ

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
	-0.089	1.094	0.000	1.098
CHELPG
AIM
ESP

	x	y	z
x	5.731	0.145	0.000
y	0.145	2.425	0.000
z	0.000	0.000	1.936

<r²>	46.895
(<r²>)^1/2	6.848