WebMO Job Summary

484747: C10H14O7N5P, Geometry Optimization - Gaussian

Calculated Quantities

Expand all

Overview

Quantity Value
Route #N B3LYP/6-31G(d) OPT Geom=Connectivity
Stoichiometry C10H14N5O7P
Symmetry C1
Basis 6-31G(d)
RB3LYP Energy -1531.26060509 Hartree
Dipole Moment 9.0305 Debye
Server batch (497626)
CPU time 24921.3 sec

Geometry Sequence Energies

Step Energy  
0 -1531.23111431  
1 -1531.24602996  
2 -1531.24869296  
3 -1531.25005643  
4 -1531.25083965  
5 -1531.25084031  
6 -1531.25140915  
7 -1531.25209218  
8 -1531.25293376  
9 -1531.25350130  
10 -1531.25363553  
11 -1531.25446232  
12 -1531.25499540  
13 -1531.25511595  
14 -1531.25534255  
15 -1531.25586756  
16 -1531.25629449  
17 -1531.24137143  
18 -1531.25435431  
19 -1531.25660488  
20 -1531.25737605  
21 -1531.25886026  
22 -1531.25995998  
23 -1531.26033909  
24 -1531.26032249  
25 -1531.26050951  
26 -1531.26056058  
27 -1531.26058677  
28 -1531.26059464  
29 -1531.26059974  
30 -1531.26060234  
31 -1531.26060355  
32 -1531.26060454  
33 -1531.26060481  
34 -1531.26060494  
35 -1531.26060503  
36 -1531.26060507  
37 -1531.26060509  
Animation speed  
Loop  

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 0.3721858 0.01241478196
b 0.1355006 0.00451981350
c 0.1133597 0.00378127258

Quote

I MET A TRAVELLER FROM AN ANTIQUE LAND WHO SAID... TWO VAST AND TRUNKLESS LEGS OF STONE STAND IN THE DESERT..... NEAR THEM, ON THE SAND, HALF SUNK, A SHATTERED VISAGE LIES, WHOSE FROWN, AND WRINKLED LIP, AND SNEER OF COLD COMMAND TELL THAT ITS SCULPTOR WELL THOSE PASSIONS READ WHICH YET SURVIVE, STAMPED ON THESE LIFELESS THINGS THE HAND THAT MOCKED THEM, AND THE HEART THAT FED- AND ON THE PEDESTAL THESE WORDS APPEAR MY NAME IS OZYMANDIAS, KING OF KINGS-- LOOK ON MY WORKS YE MIGHTY AND DESPAIR. NOTHING BESIDE REMAINS, ROUND THE DECAY OF THAT COLOSSAL WRECK, BOUNDLESS AND BARE THE LONE AND LEVEL SANDS STRETCH FAR AWAY. SHELLEY