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	hartrees
Energy at 0K	-528.111553
Energy at 298.15K	-528.112396
HF Energy	-528.111553
Nuclear repulsion energy	87.384703

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'	1659	1610	504.51	23.68	0.63	0.77
2	A'	790	767	38.07	22.00	0.13	0.22
3	A'	506	491	1.28	1.25	0.57	0.73

Atom	x (Å)	y (Å)
N1	0.000	0.635
S2	-0.515	-0.894
O3	1.030	1.233

	N1	S2	O3
N1		1.6134	1.1909
S2	1.6134		2.6288
O3	1.1909	2.6288

Number	Element	Mulliken
1	N	0.057
2	S	0.281
3	O	-0.338

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

using model chemistry: B3LYPultrafine/aug-cc-pVDZ

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
	-0.332	-0.591	0.000	0.678
CHELPG
AIM
ESP

	x	y	z
x	5.164	1.998	0.000
y	1.998	7.142	0.000
z	0.000	0.000	3.470

<r²>	55.358
(<r²>)^1/2	7.440