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	hartrees
Energy at 0K	-528.100075
Energy at 298.15K	-528.100789
HF Energy	-528.100075
Nuclear repulsion energy	96.703201

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'	1237	1187	95.90	8.13	0.53	0.69
2	A'	1039	997	11.38	22.86	0.20	0.34
3	A'	325	311	34.07	4.48	0.62	0.77

Atom	x (Å)	y (Å)
S1	0.000	0.350
N2	1.387	-0.267
O3	-1.214	-0.467

	S1	N2	O3
S1		1.5180	1.4629
N2	1.5180		2.6088
O3	1.4629	2.6088

Number	Element	Mulliken
1	S	0.595
2	N	-0.219
3	O	-0.376

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

using model chemistry: mPW1PW91/cc-pVTZ

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
	0.067	1.435	0.000	1.436
CHELPG
AIM
ESP

	x	y	z
x	5.565	-0.065	0.000
y	-0.065	3.007	0.000
z	0.000	0.000	2.461

<r²>	44.376
(<r²>)^1/2	6.662