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	hartrees
Energy at 0K	-527.980943
Energy at 298.15K
HF Energy	-527.724908
Nuclear repulsion energy	97.202242

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'	1257	1257	39.86	4.32	0.30	0.46
2	A'	1138	1138	63.54	17.26	0.48	0.65
3	A'	288	288	29.35	8.45	0.36	0.53

Atom	x (Å)	y (Å)
S1	0.000	0.321
N2	1.403	-0.195
O3	-1.227	-0.472

	S1	N2	O3
S1		1.4949	1.4614
N2	1.4949		2.6447
O3	1.4614	2.6447

All results from a given calculation for NSO (sulfinyl amidogen)

using model chemistry: B2PLYP=FULLultrafine/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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