WebMO Job Summary
485832: CH2O, Optimize + Vib Freq - Gaussian
Raw Output
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Calculated Quantities
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Overview
Quantity
Value
Route
#N B3LYP/6-31G(d) OPT FREQ Geom=Connectivity
Stoichiometry
CH
2
O
Symmetry
C2V
Basis
6-31G(d)
RB3LYP Energy
-114.500472746 Hartree
ZPE
0.026824 Hartree
Conditions
298.150K, 1.00000 atm
Internal Energy
-114.470782 Hartree
Enthalpy
-114.469838 Hartree
Free Energy
-114.494658 Hartree
C
v
6.407 cal/mol-K
Entropy
52.238 cal/mol-K
Dipole Moment
2.1867 Debye
Server
batch (498863)
CPU time
16.5 sec
Geometry Sequence Energies
Step
Energy
0
-114.493779337
1
-114.500095357
2
-114.500455461
3
-114.500472746
4
-114.500472746
5
-114.500472746
Animation speed
Loop
None
Loop
Cycle
Rotational Constants
Constant
Frequency (GHz)
Frequency (cm
-1
)
a
285.06959
9.50889798569
b
38.63341
1.28867184511
c
34.02258
1.13487111140
Vibrational Modes
Mode
Symmetry
Frequency (cm
-1
)
IR (Raman) Intensity
Actions
1
B1
1198.5871
1.4491
2
B2
1279.6006
12.5851
3
A1
1563.0334
6.4680
4
A1
1849.4050
98.6548
5
A1
2916.3534
55.9289
6
B2
2967.4009
164.6558
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm
-1
)
Quote
YE HAVE SOWN MUCH, AND BRING IN LITTLE. YE EAT, BUT YE HAVE NOT ENOUGH. YE DRINK, BUT YE ARE NOT FILLED WITH DRINK. YE CLOTHE YOU, BUT THERE IS NONE WARM. AND HE THAT EARNETH WAGES EARNETH WAGES TO PUT IT INTO A BAG WITH HOLES. HAGGAI I,6