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	hartrees
Energy at 0K	-527.766157
Energy at 298.15K	-527.766989
HF Energy	-527.766157
Nuclear repulsion energy	86.831008

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'	1625	1603	345.46	12.02	0.41	0.59
2	A'	778	768	25.13	15.75	0.22	0.36
3	A'	506	499	1.04	3.28	0.69	0.81

Atom	x (Å)	y (Å)
N1	0.000	0.639
S2	-0.529	-0.890
O3	1.057	1.221

	N1	S2	O3
N1		1.6181	1.2069
S2	1.6181		2.6408
O3	1.2069	2.6408

Number	Element	Mulliken
1	N	0.048
2	S	0.138
3	O	-0.186

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

using model chemistry: PBEPBEultrafine/6-31G**

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
	-0.166	-0.452	0.000	0.481
CHELPG
AIM
ESP

	x	y	z
x	3.673	2.149	0.000
y	2.149	5.738	0.000
z	0.000	0.000	2.009

<r²>	55.372
(<r²>)^1/2	7.441