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	hartrees
Energy at 0K	-527.790520
Energy at 298.15K	-527.791199
HF Energy	-527.790520
Nuclear repulsion energy	94.955215

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'	1170	1126	78.50	8.09	0.56	0.71
2	A'	992	954	8.49	21.69	0.22	0.36
3	A'	309	297	34.20	4.58	0.71	0.83

Atom	x (Å)	y (Å)
S1	0.000	0.361
N2	1.407	-0.268
O3	-1.231	-0.487

	S1	N2	O3
S1		1.5412	1.4951
N2	1.5412		2.6475
O3	1.4951	2.6475

Number	Element	Mulliken
1	S	0.637
2	N	-0.242
3	O	-0.395

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

using model chemistry: HSEh1PBE/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
	0.192	1.541	0.000	1.553
CHELPG
AIM
ESP

	x	y	z
x	5.238	-0.040	0.000
y	-0.040	2.505	0.000
z	0.000	0.000	1.911

<r²>	45.329
(<r²>)^1/2	6.733