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	hartrees
Energy at 0K	-528.109618
Energy at 298.15K
HF Energy	-528.109618
Nuclear repulsion energy	87.266561

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1674	1674	412.68
2	A'	787	787	32.38
3	A'	507	507	1.55

Atom	x (Å)	y (Å)
N1	0.000	0.637
S2	-0.514	-0.897
O3	1.028	1.237

	N1	S2	O3
N1		1.6174	1.1904
S2	1.6174		2.6327
O3	1.1904	2.6327

Number	Element	Mulliken
1	N	0.048
2	S	0.060
3	O	-0.109

All results from a given calculation for SNO (Nitrogen oxide sulfide)

using model chemistry: TPSSh/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
	-0.192	-0.399	0.000	0.443
CHELPG
AIM
ESP

	x	y	z
x	3.445	2.154	0.000
y	2.154	5.646	0.000
z	0.000	0.000	1.848

<r²>	55.069
(<r²>)^1/2	7.421