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	hartrees
Energy at 0K	-521.662997
Energy at 298.15K	-521.663789
HF Energy	-521.662997
Nuclear repulsion energy	84.925538

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'	1677	1480	62.65	7.80	0.38	0.55
2	A'	911	804	2.84	13.28	0.24	0.38
3	A'	488	431	0.53	1.53	0.74	0.85

Atom	x (Å)	y (Å)
N1	0.000	0.652
S2	-0.582	-0.869
O3	1.164	1.168

	N1	S2	O3
N1		1.6283	1.2732
S2	1.6283		2.6825
O3	1.2732	2.6825

Number	Element	Mulliken
1	N	-0.127
2	S	0.176
3	O	-0.049

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

using model chemistry: PBE1PBE/STO-3G

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
	-0.160	-0.716	0.000	0.733
CHELPG
AIM
ESP

	x	y	z
x	2.007	1.743	0.000
y	1.743	3.110	0.000
z	0.000	0.000	0.606

<r²>	54.936
(<r²>)^1/2	7.412