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	hartrees
Energy at 0K	-527.960570
Energy at 298.15K
HF Energy	-527.960570
Nuclear repulsion energy	95.028484

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1165	1165	74.14
2	A'	989	989	11.40
3	A'	297	297	32.52

Atom	x (Å)	y (Å)
S1	0.000	0.351
N2	1.415	-0.247
O3	-1.238	-0.486

	S1	N2	O3
S1		1.5363	1.4944
N2	1.5363		2.6637
O3	1.4944	2.6637

Number	Element	Mulliken
1	S	0.629
2	N	-0.243
3	O	-0.387

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

using model chemistry: B3PW91/cc-pCVDZ

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	0.131	1.459	0.000	1.465
CHELPG
AIM
ESP

	x	y	z
x	5.294	-0.026	0.000
y	-0.026	2.478	0.000
z	0.000	0.000	1.920

<r²>	45.410
(<r²>)^1/2	6.739