WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-311+G(2d,p) OPT FREQ Geom=Connectivity
Stoichiometry	C5H11(1+)
Symmetry	CS
Basis	6-311+G(2d,p)
RB3LYP Energy	-196.927134544 Hartree
ZPE	0.144206 Hartree
Conditions	298.150K, 1.00000 atm
Internal Energy	-196.776938 Hartree
Enthalpy	-196.775994 Hartree
Free Energy	-196.811886 Hartree
Cv	21.719 cal/mol-K
Entropy	75.541 cal/mol-K
Dipole Moment	1.9347 Debye
Server	batch (624847)
CPU time	2435 sec

Step	Energy
0	-196.907269676
1	-196.923187309
2	-196.926169102
3	-196.927087786
4	-196.927132107
5	-196.927134544
6	-196.927134544
7	-196.927134544
Animation speed
Loop	None Loop Cycle

Constant	Frequency (GHz)	Frequency (cm-1)
a	7.79148	0.25989579765
b	3.47605	0.11594854731
c	2.55051	0.08507585604

Mode	Symmetry	Frequency (cm-1)	IR (Raman) Intensity	Actions
1	A"	-199.7611	1.8656
2	A"	-101.1133	0.4503
3	A"	112.8097	9.0742
4	A"	232.4934	0.6418
5	A'	270.6754	0.2759
6	A'	409.6468	0.0939
7	A"	410.1223	2.7816
8	A'	502.3837	0.8375
9	A"	592.9379	0.3937
10	A'	760.0619	4.5425
11	A"	847.1623	0.2550
12	A'	906.3426	13.2956
13	A"	932.7625	13.5902
14	A'	974.3553	14.4436
15	A'	1032.0786	10.9071
16	A'	1091.2112	5.5129
17	A"	1135.0199	4.8460
18	A'	1222.5671	171.6896
19	A"	1261.9097	0.2982
20	A'	1272.4047	97.9001
21	A'	1320.2939	45.0758
22	A'	1350.2622	21.1030
23	A'	1372.6468	33.5891
24	A"	1421.2855	0.1357
25	A'	1423.0101	8.7447
26	A'	1437.4280	1.3638
27	A'	1464.1220	33.9535
28	A"	1464.8328	33.9794
29	A'	1503.0714	15.5036
30	A"	1505.6873	11.3071
31	A'	1515.4087	3.7711
32	A"	2931.2162	8.5286
33	A'	2938.2400	91.5444
34	A'	2991.7440	49.6472
35	A'	3011.3858	28.6451
36	A"	3021.3613	3.7333
37	A"	3044.8083	17.5587
38	A'	3051.1075	1.7976
39	A"	3117.2289	3.5584
40	A'	3125.7692	1.2299
41	A'	3145.7644	3.6281
42	A'	3175.5150	4.3665
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm-1)

IN THE WOODS WE RETURN TO REASON AND FAITH. -- EMERSON