WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) OPT FREQ Geom=Connectivity
Stoichiometry	C6H12
Symmetry	CS
Basis	6-31G(d)
RB3LYP Energy	-235.854765382 Hartree
ZPE	0.165525 Hartree
Conditions	298.150K, 1.00000 atm
Internal Energy	-235.681211 Hartree
Enthalpy	-235.680267 Hartree
Free Energy	-235.720933 Hartree
Cv	28.441 cal/mol-K
Entropy	85.589 cal/mol-K
Dipole Moment	0.1016 Debye
Server	batch (624930)
CPU time	486.2 sec

Step	Energy
0	-235.854765382
1	-235.854765382
2	-235.854765382
Animation speed
Loop	None Loop Cycle

Constant	Frequency (GHz)	Frequency (cm-1)
a	6.99308	0.23326404028
b	1.70424	0.05684732736
c	1.49912	0.05000526064

Mode	Symmetry	Frequency (cm-1)	IR (Raman) Intensity	Actions
1	A"	82.4332	0.1535
2	A"	159.5667	0.4212
3	A'	194.2796	0.3207
4	A"	212.8566	0.8316
5	A"	230.5663	0.0189
6	A'	269.1393	0.4157
7	A'	323.0590	0.0071
8	A"	419.0428	2.0229
9	A'	459.3931	0.2278
10	A'	485.8255	0.0766
11	A"	812.5832	0.0985
12	A'	849.0052	1.2899
13	A'	919.3118	0.5271
14	A"	939.5401	0.2012
15	A"	970.2615	0.0689
16	A'	996.7296	17.9139
17	A"	1015.0526	23.5844
18	A"	1078.9513	0.1659
19	A'	1096.3427	0.0668
20	A"	1127.5615	3.3114
21	A'	1197.0154	1.6303
22	A'	1210.4923	2.3398
23	A'	1302.9140	8.6031
24	A'	1343.0857	0.7452
25	A"	1355.9990	3.6254
26	A'	1394.8141	1.1612
27	A"	1423.0761	2.4464
28	A'	1441.5953	0.3196
29	A'	1444.4245	3.6588
30	A"	1510.5253	5.4763
31	A"	1518.7300	0.5457
32	A"	1519.8669	1.7460
33	A'	1522.7615	7.7384
34	A'	1531.1073	3.9504
35	A'	1540.0901	7.6612
36	A'	1756.9104	1.2883
37	A'	3026.0028	13.1320
38	A'	3028.4999	42.8499
39	A"	3036.6610	29.1822
40	A'	3041.1399	30.8811
41	A"	3073.8262	27.9297
42	A"	3100.2529	3.0608
43	A'	3105.8206	42.5956
44	A'	3111.1657	4.7904
45	A'	3113.6257	49.8475
46	A"	3114.2031	24.3144
47	A'	3116.3669	46.1175
48	A'	3134.3941	55.8188
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm-1)

IF OTHER PEOPLE ARE GOING TO TALK, CONVERSATION IS SIMPLY IMPOSSIBLE. -- WHISTLER'S PRINCIPLE