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	hartrees
Energy at 0K	-527.881691
Energy at 298.15K	-527.882573
HF Energy	-527.703599
Nuclear repulsion energy	87.697901

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'	1814	1731	251.84	3.04	0.60	0.75
2	A'	829	791	136.28	76.59	0.40	0.57
3	A'	540	516	0.67	5.56	0.43	0.61

Atom	x (Å)	y (Å)
N1	0.000	0.626
S2	-0.507	-0.896
O3	1.014	1.244

	N1	S2	O3
N1		1.6037	1.1880
S2	1.6037		2.6257
O3	1.1880	2.6257

Number	Element	Mulliken
1	N	0.052
2	S	0.029
3	O	-0.082

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

using model chemistry: B2PLYP/TZVP

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
	-0.258	-0.635	0.000	0.686
CHELPG
AIM
ESP

	x	y	z
x	3.524	2.231	0.000
y	2.231	6.369	0.000
z	0.000	0.000	1.989

<r²>	55.144
(<r²>)^1/2	7.426