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	hartrees
Energy at 0K	-528.021176
Energy at 298.15K	-528.021860
HF Energy	-528.021176
Nuclear repulsion energy	95.015574

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'	1172	1123	80.34	8.36	0.55	0.71
2	A'	990	948	7.70	22.21	0.21	0.35
3	A'	312	299	34.77	4.55	0.72	0.84

Atom	x (Å)	y (Å)
S1	0.000	0.362
N2	1.405	-0.272
O3	-1.229	-0.487

	S1	N2	O3
S1		1.5413	1.4937
N2	1.5413		2.6422
O3	1.4937	2.6422

Number	Element	Mulliken
1	S	0.644
2	N	-0.244
3	O	-0.399

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

using model chemistry: mPW1PW91/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
	0.203	1.566	0.000	1.579
CHELPG
AIM
ESP

	x	y	z
x	5.224	-0.046	0.000
y	-0.046	2.509	0.000
z	0.000	0.000	1.908

<r²>	45.248
(<r²>)^1/2	6.727