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	hartrees
Energy at 0K	-528.170680
Energy at 298.15K	-528.171533
HF Energy	-528.170680
Nuclear repulsion energy	88.340460

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'	1646	1595	518.94	23.82	0.68	0.81
2	A'	812	787	35.26	20.38	0.12	0.22
3	A'	511	495	1.98	1.04	0.50	0.66

Atom	x (Å)	y (Å)
N1	0.000	0.616
S2	-0.505	-0.888
O3	1.010	1.236

	N1	S2	O3
N1		1.5861	1.1851
S2	1.5861		2.6086
O3	1.1851	2.6086

Number	Element	Mulliken
1	N	-0.194
2	S	0.497
3	O	-0.302

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

using model chemistry: B3LYP/aug-cc-pVQZ

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
	-0.393	-0.663	0.000	0.770
CHELPG
AIM
ESP

	x	y	z
x	5.324	1.900	0.000
y	1.900	7.194	0.000
z	0.000	0.000	3.691

<r²>	54.514
(<r²>)^1/2	7.383