WebMO Job Summary
199219: H(-1) hydride, Optimize + Vib Freq - Gaussian
Raw Output
Save Notes
Calculated Quantities
Expand all
Overview
Quantity
Value
Route
#N B3LYP/6-311+G(2d,p) OPT FREQ
Method
B3LYP
Stoichiometry
H(1-)
Symmetry
OH
Basis
6-311+G(2d,p)
RB3LYP Energy
-0.509864816707 Hartree
ZPE
0.000000 Hartree
Conditions
298.150K, 1.00000 atm
Internal Energy
-0.508449 Hartree
Enthalpy
-0.507504 Hartree
Free Energy
-0.519865 Hartree
C
v
2.981 cal/mol-K
Entropy
26.014 cal/mol-K
Dipole Moment
0.0000 Debye
Server
class (200282)
CPU time
3.6 sec
Geometry Sequence Energies
Step
Energy (au)
0
-0.509864816707
1
-0.509864816707
2
-0.509864816707
Animation speed
Loop
None
Loop
Cycle
Partial Charges
Atom
Symbol
Charge
1
H
-1.000000
Vibrational Modes
Show all
Mode
Symmetry
Frequency (cm
-1
)
IR Intensity
Actions
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm
-1
)
Quote
ACTORS ARE SO FORTUNATE. THEY CAN CHOOSE WHETHER THEY WILL APPEAR IN A TRAGEDY OR IN COMEDY, WHETHER THEY WILL SUFFER OF MAKE MERRY, LAUGH OR SHED TEARS. BUT IN REAL LIFE IT IS DIFFERENT. MOST MEN AND WOMEN ARE FORCED TO PERFORM PARTS FOR WHICH THEY HAVE NO QUALIFICATIONS. THE WORLD IS A STAGE, BUT THE PLAY IS BADLY CAST. -- OSCAR WILDE