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	hartrees
Energy at 0K	-528.141715
Energy at 298.15K
HF Energy	-528.141715
Nuclear repulsion energy	95.594446

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1155	1155	46.52
2	A'	966	966	25.30
3	A'	321	321	19.40

Atom	x (Å)	y (Å)
S1	0.000	0.309
N2	1.441	-0.157
O3	-1.261	-0.480

	S1	N2	O3
S1		1.5142	1.4867
N2	1.5142		2.7206
O3	1.4867	2.7206

Number	Element	Mulliken
1	S	0.571
2	N	-0.239
3	O	-0.332

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

using model chemistry: BLYP/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
	-0.208	1.071	0.000	1.091
CHELPG
AIM
ESP

	x	y	z
x	6.075	0.080	0.000
y	0.080	3.006	0.000
z	0.000	0.000	2.542

<r²>	45.806
(<r²>)^1/2	6.768