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	hartrees
Energy at 0K	-527.763356
Energy at 298.15K
HF Energy	-527.763356
Nuclear repulsion energy	93.872153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1121	1121	33.44
2	A'	956	956	25.89
3	A'	318	318	18.93

Atom	x (Å)	y (Å)
S1	0.000	0.313
N2	1.466	-0.139
O3	-1.283	-0.504

	S1	N2	O3
S1		1.5337	1.5208
N2	1.5337		2.7725
O3	1.5208	2.7725

Number	Element	Mulliken
1	S	0.571
2	N	-0.242
3	O	-0.329

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

using model chemistry: PBEPBE/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
	-0.119	1.065	0.000	1.071
CHELPG
AIM
ESP

	x	y	z
x	5.723	0.151	0.000
y	0.151	2.421	0.000
z	0.000	0.000	1.945

<r²>	46.758
(<r²>)^1/2	6.838