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	hartrees
Energy at 0K	-528.145370
Energy at 298.15K	-528.146234
HF Energy	-528.145370
Nuclear repulsion energy	89.028024

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'	1718	1718	544.03	23.30	0.38	0.55
2	A'	853	853	33.78	16.34	0.17	0.29
3	A'	511	511	2.56	2.26	0.75	0.86

Atom	x (Å)	y (Å)
N1	0.000	0.605
S2	-0.495	-0.885
O3	0.990	1.241

	N1	S2	O3
N1		1.5708	1.1767
S2	1.5708		2.5937
O3	1.1767	2.5937

Number	Element	Mulliken
1	N	0.169
2	S	0.011
3	O	-0.180

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

using model chemistry: B1B95/Def2TZVPP

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
	-0.365	-0.629	0.000	0.727
CHELPG
AIM
ESP

	x	y	z
x	4.056	2.121	0.000
y	2.121	6.396	0.000
z	0.000	0.000	2.534

<r²>	53.733
(<r²>)^1/2	7.330