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	hartrees
Energy at 0K	-527.818709
Energy at 298.15K	-527.819573
HF Energy	-527.818709
Nuclear repulsion energy	88.019714

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'	1728	1728	537.92	24.76	0.67	0.80
2	A'	827	827	38.82	22.11	0.12	0.21
3	A'	515	515	1.70	1.00	0.50	0.67

Atom	x (Å)	y (Å)
N1	0.000	0.628
S2	-0.509	-0.890
O3	1.017	1.230

	N1	S2	O3
N1		1.6008	1.1822
S2	1.6008		2.6122
O3	1.1822	2.6122

Number	Element	Mulliken
1	N	0.304
2	S	-0.063
3	O	-0.241

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

using model chemistry: PBE1PBE/daug-cc-pVDZ

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
	-0.292	-0.503	0.000	0.581
CHELPG
AIM
ESP

	x	y	z
x	5.275	1.894	0.000
y	1.894	7.139	0.000
z	0.000	0.000	3.656

<r²>	54.704
(<r²>)^1/2	7.396