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	hartrees
Energy at 0K	-527.993846
Energy at 298.15K
HF Energy	-527.993846
Nuclear repulsion energy	95.614412

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1211	1211	89.52
2	A'	1026	1026	8.91
3	A'	332	332	36.97

Atom	x (Å)	y (Å)
S1	0.000	0.360
N2	1.396	-0.273
O3	-1.222	-0.481

	S1	N2	O3
S1		1.5330	1.4831
N2	1.5330		2.6262
O3	1.4831	2.6262

Number	Element	Mulliken
1	S	0.640
2	N	-0.242
3	O	-0.398

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

using model chemistry: wB97X-D/cc-pCVDZ

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
	0.176	1.596	0.000	1.606
CHELPG
AIM
ESP

	x	y	z
x	5.169	-0.065	0.000
y	-0.065	2.498	0.000
z	0.000	0.000	1.908

<r²>	44.889
(<r²>)^1/2	6.700