Title: test
Browse item: https://iochem.udg.edu:8443/browse/handle/100/9
Program: ADF 2009
Author: Milocco, Francesca
Formula: C 27 H 48 B 2 N 2 O 4
Calculation type: Single point NMR (Phase gas)
Method(s): DFT

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge
Multiplicity 1

JOB | SCF Converged

NMR Shielding Tensors

Atom Paramagnetic (ppm) Diamagnetic (ppm) Spin-orbit () Total (ppm)
B(78) -125.475 189.525 64.050
B(79) -86.437 182.747 96.309

Timing

Factor
Cpu 2528.95
System 12.25
Elapsed 2546.34

Input file



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