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	hartrees
Energy at 0K	-528.131875
Energy at 298.15K	-528.132549
HF Energy	-528.131875
Nuclear repulsion energy	95.687885

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'	1152	1145	57.66	6.25	0.72	0.84
2	A'	967	962	27.80	34.91	0.18	0.31
3	A'	309	308	18.64	3.71	0.58	0.73

Atom	x (Å)	y (Å)
S1	0.000	0.311
N2	1.437	-0.162
O3	-1.258	-0.480

	S1	N2	O3
S1		1.5131	1.4854
N2	1.5131		2.7139
O3	1.4854	2.7139

Number	Element	Mulliken
1	S	0.571
2	N	-0.277
3	O	-0.294

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

using model chemistry: BLYP/6-311+G(3df,2p)

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
	-0.173	1.078	0.000	1.092
CHELPG
AIM
ESP

	x	y	z
x	6.769	0.135	0.000
y	0.135	3.725	0.000
z	0.000	0.000	3.251

<r²>	45.979
(<r²>)^1/2	6.781