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	hartrees
Energy at 0K	-528.083097
Energy at 298.15K
HF Energy	-528.083097
Nuclear repulsion energy	97.686974

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1290	1290	107.51
2	A'	1071	1071	12.43
3	A'	339	339	35.10

Atom	x (Å)	y (Å)
S1	0.000	0.342
N2	1.378	-0.259
O3	-1.206	-0.457

	S1	N2	O3
S1		1.5034	1.4464
N2	1.5034		2.5920
O3	1.4464	2.5920

Number	Element	Mulliken
1	S	0.592
2	N	-0.220
3	O	-0.371

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

using model chemistry: wB97X-D/cc-pCVTZ

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
	-0.013	1.383	0.000	1.383
CHELPG
AIM
ESP

	x	y	z
x	5.495	-0.084	0.000
y	-0.084	2.997	0.000
z	0.000	0.000	2.484

<r²>	43.812
(<r²>)^1/2	6.619