GENERAL INFO

Title: /Butylamine/Catalyzed/Water/2_Water/Scan Scan
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/165
Program: Gaussian 09 EM64L-G09RevD.01
Author: González Fabra, Joan
Formula: C 8 H 21 N 1 O 5
Calculation type: Single point Minimum
Method(s):

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Frozen section

JOB |

Energies

Energy Value Units
SCF Done: -0.472991347417 Eh

Dipole moment (Debye)

Dipole moment

X Y Z Total
2.0606 -6.1003 -3.3427 7.2549

Quadrupole moment

XX YY ZZ XY XZ YZ

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