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	hartrees
Energy at 0K	-526.588763
Energy at 298.15K	-526.589421
HF Energy	-526.588763
Nuclear repulsion energy	85.183425

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	428	383	0.93
2	A'	1905	1706	721.12
3	A'	553	495	102.79

Atom	x (Å)	y (Å)
N1	0.000	0.678
S2	-0.466	-0.974
O3	0.933	1.355

	N1	S2	O3
N1		1.7161	1.1525
S2	1.7161		2.7166
O3	1.1525	2.7166

Number	Element	Mulliken
1	N	0.082
2	S	0.154
3	O	-0.236

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

using model chemistry: ROHF/6-31G

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
	-0.010	0.455	0.000	0.455
CHELPG
AIM
ESP

<r²>	58.890
(<r²>)^1/2	7.674