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	hartrees
Energy at 0K	-527.882554
Energy at 298.15K
HF Energy	-527.882554
Nuclear repulsion energy	97.489567

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1274	1274	93.72
2	A'	1055	1055	16.00
3	A'	319	319	31.42

Atom	x (Å)	y (Å)
S1	0.000	0.334
N2	1.389	-0.240
O3	-1.215	-0.457

	S1	N2	O3
S1		1.5028	1.4500
N2	1.5028		2.6135
O3	1.4500	2.6135

Number	Element	Mulliken
1	S	0.594
2	N	-0.227
3	O	-0.367

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

using model chemistry: HSEh1PBE/cc-pV(T+d)Z

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
	-0.055	1.281	0.000	1.282
CHELPG
AIM
ESP

	x	y	z
x	5.526	-0.074	0.000
y	-0.074	2.962	0.000
z	0.000	0.000	2.473

<r²>	44.090
(<r²>)^1/2	6.640