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	hartrees
Energy at 0K	-526.726383
Energy at 298.15K
HF Energy	-526.726383
Nuclear repulsion energy	89.132602

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1983	1983	929.81
2	A'	778	778	151.18
3	A'	515	515	4.74

Atom	x (Å)	y (Å)
N1	0.000	0.627
S2	-0.470	-0.908
O3	0.940	1.267

	N1	S2	O3
N1		1.6051	1.1367
S2	1.6051		2.5914
O3	1.1367	2.5914

Number	Element	Mulliken
1	N	0.170
2	S	-0.022
3	O	-0.148

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

using model chemistry: ROHF/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
	-0.178	0.214	0.000	0.278
CHELPG
AIM
ESP

<r²>	54.146
(<r²>)^1/2	7.358