WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) OPT FREQ Geom=Connectivity
Stoichiometry	C13H18O2
Symmetry	C1
Basis	6-31G(d)
RB3LYP Energy	-656.704413749 Hartree
ZPE	0.285873 Hartree
Conditions	298.150K, 1.00000 atm
Internal Energy	-656.402853 Hartree
Enthalpy	-656.401909 Hartree
Free Energy	-656.463265 Hartree
Cv	58.548 cal/mol-K
Entropy	129.134 cal/mol-K
Dipole Moment	1.3853 Debye
Server	batch (428930)
CPU time	9059.9 sec

Step	Energy
0	-656.680061249
1	-656.702929151
2	-656.703581485
3	-656.703629735
4	-656.704117807
5	-656.704350054
6	-656.704397566
7	-656.704403772
8	-656.704411981
9	-656.704413490
10	-656.704413736
11	-656.704413749
12	-656.704413749
13	-656.704413749
Animation speed
Loop	None Loop Cycle

Constant	Frequency (GHz)	Frequency (cm-1)
a	1.53386	0.05116406231
b	0.23981	0.00799920057
c	0.23678	0.00789813065

Mode	Symmetry	Frequency (cm-1)	IR (Raman) Intensity	Actions
1	A	25.4752	0.1827
2	A	37.1013	1.3806
3	A	47.3774	0.6639
4	A	52.0392	0.2098
5	A	68.8295	0.1188
6	A	98.6739	0.3297
7	A	175.0017	0.0709
8	A	202.3568	0.4089
9	A	225.2402	0.2351
10	A	231.5031	0.3936
11	A	236.0385	0.6014
12	A	253.7620	0.1498
13	A	286.4019	0.8431
14	A	320.4063	0.7340
15	A	345.0133	1.2521
16	A	381.1740	0.3309
17	A	405.8779	3.8078
18	A	419.1733	0.0867
19	A	423.0388	0.6045
20	A	472.4942	8.8065
21	A	512.2054	1.7180
22	A	595.1339	33.9460
23	A	629.6312	47.0560
24	A	647.5311	32.1372
25	A	664.1467	12.7421
26	A	718.5924	50.1940
27	A	755.4489	7.9627
28	A	797.5152	16.4338
29	A	824.7550	11.3991
30	A	837.7875	1.4497
31	A	853.7011	3.0737
32	A	859.1268	1.0554
33	A	873.5724	15.6465
34	A	900.7941	1.7349
35	A	941.0953	2.4589
36	A	957.6009	0.5180
37	A	964.7455	0.1126
38	A	976.6951	0.0865
39	A	978.0416	0.2314
40	A	1013.8999	2.5847
41	A	1041.7138	4.9770
42	A	1092.3400	30.4206
43	A	1104.2469	6.0221
44	A	1114.3631	40.5959
45	A	1145.2174	3.2579
46	A	1157.4799	9.5661
47	A	1179.8313	220.6520
48	A	1202.5988	10.0659
49	A	1218.3016	12.9758
50	A	1226.6699	10.8876
51	A	1236.1017	1.6912
52	A	1258.9423	4.1004
53	A	1295.2120	4.0664
54	A	1324.3920	3.4554
55	A	1330.0248	4.1353
56	A	1360.4677	0.6384
57	A	1375.6636	0.8478
58	A	1386.0077	1.5537
59	A	1390.1869	2.6909
60	A	1415.5921	56.7025
61	A	1429.5835	3.9093
62	A	1436.2155	6.9441
63	A	1448.4102	4.3628
64	A	1469.9107	9.9140
65	A	1512.0307	0.7757
66	A	1519.5114	1.6452
67	A	1521.2649	3.4287
68	A	1525.8738	1.6133
69	A	1526.8986	8.6067
70	A	1534.2852	3.4700
71	A	1540.1208	8.4129
72	A	1561.0001	21.9608
73	A	1628.4813	0.0692
74	A	1671.1610	1.0069
75	A	1834.9105	229.4692
76	A	3016.2163	5.9881
77	A	3027.4719	28.0376
78	A	3035.0279	33.1705
79	A	3041.0114	40.1919
80	A	3062.1239	26.0433
81	A	3066.5992	20.3732
82	A	3081.4595	9.7090
83	A	3097.4261	7.7918
84	A	3103.4481	59.3255
85	A	3109.0155	46.4780
86	A	3123.1190	37.1751
87	A	3129.9658	29.6487
88	A	3151.6236	13.6556
89	A	3172.5282	17.0450
90	A	3174.0023	11.8220
91	A	3189.8223	22.8326
92	A	3201.5125	4.3068
93	A	3677.2021	47.0854
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm-1)

CONTRAIWISE...CONTINUED TWEEDLEDEE, IF IT WAS SO, IT MIGHT BE, AND IF IT WERE SO, IT WOULD BE..... BUT AS IT ISN'T, IT AIN'T.... THAT'S LOGIC..... ALICE THROUGH THE LOOKING GLASS