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	hartrees
Energy at 0K	-527.890125
Energy at 298.15K	-527.890992
HF Energy	-527.890125
Nuclear repulsion energy	88.675469

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'	1710	1644	543.89	24.74	0.66	0.80
2	A'	838	806	36.39	20.43	0.12	0.21
3	A'	517	497	2.21	0.98	0.56	0.72

Atom	x (Å)	y (Å)
N1	0.000	0.614
S2	-0.500	-0.887
O3	0.999	1.237

	N1	S2	O3
N1		1.5824	1.1775
S2	1.5824		2.5999
O3	1.1775	2.5999

Number	Element	Mulliken
1	N	0.088
2	S	0.243
3	O	-0.330

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

using model chemistry: HSEh1PBE/aug-cc-pVTZ

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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	x	y	z	Total
	-0.328	-0.549	0.000	0.640
CHELPG
AIM
ESP

	x	y	z
x	5.180	1.869	0.000
y	1.869	7.078	0.000
z	0.000	0.000	3.594

<r²>	54.167
(<r²>)^1/2	7.360