Title: Sample title
Program: ADF 2009
Author: Test author
Formula: C 27 H 48 B 2 N 2 O 4
Calculation type: Single point NMR (Phase gas)
Method(s): DFT

ATOM INFO

MOLECULAR INFO

Charge
Multiplicity 1

JOB | SCF Converged

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
Factor
Cpu 2528.95
System 12.25
Ellapsed 2546.34