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	hartrees
Energy at 0K	-528.087715
Energy at 298.15K
HF Energy	-528.087715
Nuclear repulsion energy	86.448604

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1563	1563	324.51
2	A'	745	745	24.87
3	A'	493	493	0.95

Atom	x (Å)	y (Å)
N1	0.000	0.640
S2	-0.527	-0.898
O3	1.054	1.236

	N1	S2	O3
N1		1.6259	1.2102
S2	1.6259		2.6552
O3	1.2102	2.6552

Number	Element	Mulliken
1	N	0.019
2	S	0.073
3	O	-0.092

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

using model chemistry: BLYP/cc-pV(D+d)Z

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
	-0.256	-0.547	0.000	0.604
CHELPG
AIM
ESP

	x	y	z
x	3.504	2.180	0.000
y	2.180	5.584	0.000
z	0.000	0.000	1.852

<r²>	55.699
(<r²>)^1/2	7.463