WebMO Job Summary

484768: C10H14O6N5P, Geometry Optimization - Gaussian

Calculated Quantities

Expand all

Overview

Quantity Value
Route #N B3LYP/6-31G(d) OPT Geom=Connectivity
Stoichiometry C10H14N5O6P
Symmetry C1
Basis 6-31G(d)
RB3LYP Energy -1456.02990474 Hartree
Dipole Moment 2.0583 Debye
Server batch (497711)
CPU time 19745.7 sec

Geometry Sequence Energies

Step Energy  
0 -1456.02234269  
1 -1456.02243158  
2 -1456.02258607  
3 -1456.02307464  
4 -1456.01976482  
5 -1456.02478043  
6 -1456.02395602  
7 -1456.02619250  
8 -1456.02812494  
9 -1456.02889277  
10 -1456.02908988  
11 -1456.02927558  
12 -1456.02944387  
13 -1456.02964479  
14 -1456.02974766  
15 -1456.02984062  
16 -1456.02987363  
17 -1456.02988018  
18 -1456.02988437  
19 -1456.02988627  
20 -1456.02988738  
21 -1456.02988941  
22 -1456.02989141  
23 -1456.02989462  
24 -1456.02989872  
25 -1456.02990290  
26 -1456.02990421  
27 -1456.02990441  
28 -1456.02990460  
29 -1456.02990474  
Animation speed  
Loop  

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 0.3142507 0.01048227504
b 0.2374212 0.00791951878
c 0.1528216 0.00509757987

Quote

GETTING A SIMPLE ANSWER FROM A PROFESSOR IS LIKE GETTING A THIMBLE OF WATER FROM A FIRE HYDRANT. -- PROF. LEN SHAPIRO, NDSU