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	hartrees
Energy at 0K	-528.041225
Energy at 298.15K	-528.041855
HF Energy	-528.041225
Nuclear repulsion energy	92.901359

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'	1045	1047	35.02	6.64	0.62	0.76
2	A'	912	913	19.28	21.29	0.27	0.42
3	A'	295	296	21.37	5.17	0.65	0.79

Atom	x (Å)	y (Å)
S1	0.000	0.330
N2	1.471	-0.172
O3	-1.287	-0.509

	S1	N2	O3
S1		1.5540	1.5361
N2	1.5540		2.7779
O3	1.5361	2.7779

Number	Element	Mulliken
1	S	0.576
2	N	-0.236
3	O	-0.340

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

using model chemistry: BLYP/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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-0.012	1.186	0.000	1.186
CHELPG
AIM
ESP

	x	y	z
x	5.727	0.135	0.000
y	0.135	2.442	0.000
z	0.000	0.000	1.921

<r²>	47.255
(<r²>)^1/2	6.874