WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) OPT=(TS,NoEigenTest,NewEstmFC) Geom=Connectivity FRE
Stoichiometry	C3H9B
Symmetry	C1
Basis	6-31G(d)
RB3LYP Energy	-144.535333692 Hartree
ZPE	0.112563 Hartree
Conditions	298.150K, 1.00000 atm
Internal Energy	-144.417620 Hartree
Enthalpy	-144.416676 Hartree
Free Energy	-144.449748 Hartree
Cv	18.635 cal/mol-K
Entropy	69.606 cal/mol-K
Dipole Moment	2.5249 Debye
Server	batch (522728)
CPU time	1274.7 sec

Step	Energy
0	-144.532752076
1	-144.534859690
2	-144.535355184
3	-144.535518346
4	-144.535598718
5	-144.535668850
6	-144.535825112
7	-144.535887344
8	-144.535257985
9	-144.535309525
10	-144.535313667
11	-144.535323309
12	-144.535328634
13	-144.535332465
14	-144.535333692
15	-144.535333692
16	-144.535333692
Animation speed
Loop	None Loop Cycle

Constant	Frequency (GHz)	Frequency (cm-1)
a	12.62192	0.42102193245
b	6.13263	0.20456251771
c	5.04884	0.16841117464

Mode	Symmetry	Frequency (cm-1)	IR (Raman) Intensity	Actions
1	A	-535.1004	140.4509
2	A	225.2399	0.9025
3	A	268.6337	6.6788
4	A	340.1613	4.4389
5	A	421.0014	1.3510
6	A	604.7762	7.9907
7	A	720.5282	1.9365
8	A	798.4947	1.4449
9	A	889.9728	3.6379
10	A	947.0947	4.6032
11	A	987.9271	3.0389
12	A	1058.2270	4.2883
13	A	1069.3450	2.1089
14	A	1103.5163	4.0057
15	A	1128.7313	6.5917
16	A	1171.6238	32.5310
17	A	1199.2057	28.8843
18	A	1225.2898	0.8486
19	A	1296.4169	5.0992
20	A	1435.0135	1.3111
21	A	1461.9678	2.2523
22	A	1514.3765	4.7429
23	A	1529.3163	5.7538
24	A	1560.9815	1.0658
25	A	2330.3857	19.7001
26	A	2574.4419	53.2797
27	A	2677.6779	100.4729
28	A	3041.0503	36.9090
29	A	3105.7321	21.5916
30	A	3129.5695	17.5320
31	A	3163.4344	6.1058
32	A	3180.0451	9.9554
33	A	3249.4808	3.0510
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm-1)

HO! SUCH BUGS AND GOBLINS IN MY LIFE! -- HAMLET, ACT 5, SCENE 2