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	hartrees
Energy at 0K	-528.052415
Energy at 298.15K	-528.053273
HF Energy	-528.052415
Nuclear repulsion energy	88.471475

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'	1683	1683	517.73	22.78	0.68	0.81
2	A'	828	828	33.76	20.42	0.12	0.22
3	A'	513	513	2.00	1.06	0.51	0.67

Atom	x (Å)	y (Å)
N1	0.000	0.616
S2	-0.503	-0.888
O3	1.005	1.237

	N1	S2	O3
N1		1.5854	1.1813
S2	1.5854		2.6049
O3	1.1813	2.6049

Number	Element	Mulliken
1	N	0.218
2	S	0.398
3	O	-0.616

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

using model chemistry: B3PW91/daug-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
	-0.336	-0.576	0.000	0.667
CHELPG
AIM
ESP

	x	y	z
x	5.232	1.866	0.000
y	1.866	7.104	0.000
z	0.000	0.000	3.639

<r²>	54.275
(<r²>)^1/2	7.367