WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-311+G(2d,p) OPT FREQ SCRF=(PCM,Solvent=chloroform) Geom=Connectivity
Stoichiometry	C17H18O2
Symmetry	C1
Basis	6-311+G(2d,p)
RB3LYP Energy	-809.333131523 Hartree
ZPE	0.308267 Hartree
Conditions	298.150K, 1.00000 atm
Internal Energy	-809.008431 Hartree
Enthalpy	-809.007487 Hartree
Free Energy	-809.070134 Hartree
Cv	65.359 cal/mol-K
Entropy	131.852 cal/mol-K
Dipole Moment	1.0890 Debye
Server	batch (645816)
CPU time	180308.9 sec

Step	Energy
0	-809.332585460
1	-809.333070478
2	-809.333099547
3	-809.333110734
4	-809.333116377
5	-809.333122941
6	-809.333127507
7	-809.333127882
8	-809.333129329
9	-809.333129812
10	-809.333131251
11	-809.333131425
12	-809.333131524
13	-809.333131523
14	-809.333131523
Animation speed
Loop	None Loop Cycle

Constant	Frequency (GHz)	Frequency (cm-1)
a	0.46509	0.01551373250
b	0.36015	0.01201331089
c	0.25100	0.00837245879

Mode	Symmetry	Frequency (cm-1)	IR (Raman) Intensity	Actions
1	A	24.4727	0.4270
2	A	42.6784	0.0386
3	A	44.8937	0.1919
4	A	56.0896	0.1874
5	A	83.6653	0.9249
6	A	104.6689	1.6403
7	A	180.0197	1.7171
8	A	195.2972	0.4969
9	A	202.1267	4.0533
10	A	231.4540	0.4767
11	A	239.6528	0.3870
12	A	269.6235	0.4477
13	A	295.4095	0.8174
14	A	313.9906	2.7401
15	A	348.8673	0.3723
16	A	413.2359	0.7532
17	A	415.8229	0.0518
18	A	417.9147	0.9999
19	A	444.5582	0.3840
20	A	504.9488	10.1686
21	A	513.3325	6.6148
22	A	554.0593	13.4791
23	A	576.3966	22.7475
24	A	632.6587	0.4107
25	A	633.8756	0.2954
26	A	646.4295	1.3641
27	A	657.7779	4.2417
28	A	711.0135	83.6828
29	A	713.6731	32.8602
30	A	735.6627	38.5244
31	A	752.6815	64.8304
32	A	777.0144	21.4140
33	A	810.0173	19.6528
34	A	831.2700	3.2175
35	A	856.1468	0.1397
36	A	858.9732	0.0893
37	A	873.6977	37.8278
38	A	893.1867	41.1000
39	A	925.4682	3.3405
40	A	928.3737	1.1956
41	A	943.7029	3.6703
42	A	969.0365	5.6234
43	A	980.4080	9.3060
44	A	985.8605	0.0567
45	A	987.7309	0.2216
46	A	1003.6317	1.3629
47	A	1005.8496	0.8297
48	A	1007.3416	3.9496
49	A	1019.1535	0.0882
50	A	1020.4823	1.1370
51	A	1038.1841	64.2261
52	A	1046.8730	155.3625
53	A	1053.4490	45.1877
54	A	1055.7376	167.7885
55	A	1103.0672	13.0510
56	A	1105.1179	15.2560
57	A	1176.3720	70.4658
58	A	1178.8295	0.3031
59	A	1179.2977	0.6116
60	A	1196.5178	3.7952
61	A	1199.6383	1.9360
62	A	1215.8587	29.2326
63	A	1220.3766	143.9830
64	A	1231.5683	70.0957
65	A	1268.3882	92.1758
66	A	1281.0760	25.4272
67	A	1304.4581	2.3540
68	A	1320.6060	3.2971
69	A	1340.2978	10.6087
70	A	1353.0572	9.9591
71	A	1354.2360	2.8207
72	A	1391.0562	3.8630
73	A	1403.3538	40.5974
74	A	1414.7370	25.6955
75	A	1419.9051	8.8200
76	A	1471.8865	0.2804
77	A	1475.5470	3.3012
78	A	1487.6499	11.0818
79	A	1488.5717	10.0959
80	A	1493.0377	1.7685
81	A	1495.6291	7.7371
82	A	1529.9363	10.8118
83	A	1531.9243	11.7727
84	A	1622.0416	0.2087
85	A	1622.6201	0.7971
86	A	1640.1727	4.2155
87	A	1642.3482	3.0088
88	A	3003.1235	22.0802
89	A	3025.8852	65.5652
90	A	3040.9637	28.0136
91	A	3048.5329	13.2119
92	A	3108.2076	5.7052
93	A	3111.2764	35.1043
94	A	3117.8020	33.4802
95	A	3123.6713	32.7124
96	A	3153.6390	5.8593
97	A	3154.6266	10.5203
98	A	3162.4990	0.9387
99	A	3163.8516	1.5758
100	A	3172.2635	26.1273
101	A	3173.5853	30.9066
102	A	3184.2872	23.6784
103	A	3185.0092	30.3790
104	A	3198.0460	0.7176
105	A	3198.7479	13.0897
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm-1)

Life may have no meaning. Or even worse, it may have a meaning of which I disapprove. -- Ashleigh Brilliant