WebMO Job Summary
124556: Br, Optimize + Vib Freq - Gaussian
Raw Output
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Calculated Quantities
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Overview
Quantity
Value
Route
#N M062X/6-311+G(2d,p) OPT FREQ Geom=Connectivity
Stoichiometry
Br(2)
Symmetry
OH
Basis
6-311+G(2d,p)
UM062X Energy
-2574.12411284 Hartree
ZPE
0.000000 Hartree
Conditions
298.150K, 1.00000 atm
Internal Energy
-2574.122697 Hartree
Enthalpy
-2574.121752 Hartree
Free Energy
-2574.140943 Hartree
C
v
2.981 cal/mol-K
Entropy
40.390 cal/mol-K
Dipole Moment
0.0000 Debye
Server
batch (126995)
CPU time
8.4 sec
Geometry Sequence Energies
Step
Energy
0
-2574.12411284
1
-2574.12411284
2
-2574.12411284
Animation speed
Loop
None
Loop
Cycle
Partial Charges
Atom
Symbol
Charge
1
Br
0.000000
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
CHRISTMAS IS ON TOP OF A STEEP HILL. THE CLOSER YOU GET, THE STEEPER THE HILL IS. -- LINUS, OF PEANUTS