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	hartrees
Energy at 0K	-526.812306
Energy at 298.15K	-526.813136
HF Energy	-526.812306
Nuclear repulsion energy	88.995387

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'	1827	1659	543.45	127.33	0.51	0.67
2	A'	816	741	11.39	19.93	0.16	0.28
3	A'	477	434	6.03	12.00	0.60	0.75

Atom	x (Å)	y (Å)
N1	0.000	0.631
S2	-0.506	-0.878
O3	1.012	1.204

	N1	S2	O3
N1		1.5922	1.1628
S2	1.5922		2.5768
O3	1.1628	2.5768

Number	Element	Mulliken
1	N	0.000
2	S	0.145
3	O	-0.145

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

using model chemistry: HF/cc-pVQZ

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
	-0.580	-0.751	0.000	0.949
CHELPG
AIM
ESP

	x	y	z
x	4.973	2.238	0.000
y	2.238	6.420	0.000
z	0.000	0.000	2.944

<r²>	53.779
(<r²>)^1/2	7.333