WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) OPT=(TS,NoEigenTest,calcFC) SCRF=(PCM,Solvent=Water) Geom=Connectivity FREQ
Stoichiometry	C4H6O3
Symmetry	C1
Basis	6-31G(d)
RB3LYP Energy	-381.69474585 Hartree
ZPE	0.097816 Hartree
Conditions	298.150K, 1.00000 atm
Internal Energy	-381.589650 Hartree
Enthalpy	-381.588705 Hartree
Free Energy	-381.628917 Hartree
Cv	24.871 cal/mol-K
Entropy	84.633 cal/mol-K
Dipole Moment	5.9567 Debye
Server	batch (569965)
CPU time	2603.8 sec

Step	Energy
0	-381.692198892
1	-381.694274215
2	-381.694562716
3	-381.694713946
4	-381.694743844
5	-381.694745846
6	-381.694745848
7	-381.694745821
8	-381.694745850
9	-381.694745850
10	-381.694745850
Animation speed
Loop	None Loop Cycle

Constant	Frequency (GHz)	Frequency (cm-1)
a	4.69805	0.15671007974
b	1.84925	0.06168434030
c	1.50091	0.05006496861

Mode	Symmetry	Frequency (cm-1)	IR (Raman) Intensity	Actions
1	A	-354.4069	860.0751
2	A	82.2090	0.5212
3	A	92.7553	2.9671
4	A	129.8939	6.9330
5	A	245.8714	67.7013
6	A	356.8611	16.0871
7	A	412.9157	92.8347
8	A	487.6875	70.8660
9	A	547.1626	21.3217
10	A	597.7668	220.1422
11	A	684.0248	347.6275
12	A	723.1590	167.0830
13	A	858.9690	2.4306
14	A	900.5465	38.6895
15	A	996.0086	111.0473
16	A	1031.7241	4.0372
17	A	1062.7562	10.0797
18	A	1083.9992	32.1134
19	A	1244.4108	317.7808
20	A	1309.6932	189.7710
21	A	1417.1779	12.1735
22	A	1457.3269	187.9774
23	A	1479.8290	45.8309
24	A	1498.0774	6.0756
25	A	1506.8529	19.2066
26	A	1602.2209	354.8218
27	A	1992.8909	663.7375
28	A	3060.4978	0.7082
29	A	3120.7420	4.0577
30	A	3152.1070	5.0458
31	A	3180.0615	6.5356
32	A	3251.5357	3.2687
33	A	3368.5933	210.8062
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm-1)

WE STILL HAVE JUDGEMENT HERE, THAT WE TEACH BUT BLOODY INSTRUCTIONS, WHICH, BEING TAUGHT, RETURN TO PLAGUE THE INVENTOR. MACBETH ACT I, SCENE VII