WebMO Job Summary
672910: Br UW-Bootcamp bromo radical, Optimize + Vib Freq - Gaussian
Raw Output
Save Notes
Calculated Quantities
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Overview
Quantity
Value
Route
#N B3LYP/6-311+G(2d,p) OPT FREQ Geom=Connectivity
Stoichiometry
Br(2)
Symmetry
OH
Basis
6-311+G(2d,p)
UB3LYP Energy
-2574.10096529 Hartree
ZPE
0.000000 Hartree
Conditions
298.150K, 1.00000 atm
Internal Energy
-2574.099549 Hartree
Enthalpy
-2574.098605 Hartree
Free Energy
-2574.117795 Hartree
C
v
2.981 cal/mol-K
Entropy
40.390 cal/mol-K
Dipole Moment
0.0000 Debye
Server
batch (686247)
CPU time
80 sec
Geometry Sequence Energies
Step
Energy
0
-2574.10096529
1
-2574.10096529
2
-2574.10096529
Animation speed
Loop
None
Loop
Cycle
Vibrational Modes
Mode
Symmetry
Frequency (cm
-1
)
IR (Raman) Intensity
Actions
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm
-1
)
Quote
... SUBJECTS WHICH DISCLOSE THEIR FULL POWER, MEANING AND BEAUTY AS SOON AS THEY ARE PRESENTED TO THE MIND HAVE VERY LITTLE OF THOSE QUALITIES TO DISCLOSE. -- CHARLES DUTTON (1882)