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	hartrees
Energy at 0K	-139.902832
Energy at 298.15K	-139.903622
HF Energy	-139.902832
Nuclear repulsion energy	47.094876

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'	1607	1607	425.39	25.96	0.23	0.37
2	A'	729	729	34.33	13.74	0.31	0.48
3	A'	479	479	1.02	6.97	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.000	0.655
S2	-0.523	-0.925
O3	1.046	1.277

	N1	S2	O3
N1		1.6640	1.2173
S2	1.6640		2.7039
O3	1.2173	2.7039

Number	Element	Mulliken
1	N	-0.148
2	S	0.240
3	O	-0.092

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

using model chemistry: wB97X-D/LANL2DZ

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
	-0.185	-0.649	0.000	0.675
CHELPG
AIM
ESP

	x	y	z
x	2.973	2.670	0.000
y	2.670	6.041	0.000
z	0.000	0.000	1.074

<r²>	46.162
(<r²>)^1/2	6.794