WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) OPT FREQ Geom=Connectivity
Stoichiometry	C27H46O
Symmetry	C1
Basis	6-31G(d)
RB3LYP Energy	-1131.80803737 Hartree
ZPE	0.688059 Hartree
Conditions	298.150K, 1.00000 atm
Internal Energy	-1131.090593 Hartree
Enthalpy	-1131.089648 Hartree
Free Energy	-1131.179510 Hartree
Cv	118.203 cal/mol-K
Entropy	189.129 cal/mol-K
Dipole Moment	1.6244 Debye
Server	batch (569356)
CPU time	71276.6 sec

Step	Energy
0	-1131.78957808
1	-1131.79824389
2	-1131.80008183
3	-1131.80589020
4	-1131.80736574
5	-1131.80771203
6	-1131.80792783
7	-1131.80802172
8	-1131.80803512
9	-1131.80803657
10	-1131.80803724
11	-1131.80803734
12	-1131.80803737
13	-1131.80803737
14	-1131.80803737
Animation speed
Loop	None Loop Cycle

Constant	Frequency (GHz)	Frequency (cm-1)
a	0.41980	0.01400302072
b	0.05565	0.00185628419
c	0.05274	0.00175921704

Mode	Symmetry	Frequency (cm-1)	IR (Raman) Intensity	Actions
1	A	16.3564	0.0355
2	A	23.4570	0.1356
3	A	25.0914	0.0496
4	A	46.3442	0.0524
5	A	56.2084	0.3686
6	A	67.5826	0.0317
7	A	85.2071	0.0776
8	A	96.6179	0.0932
9	A	105.8621	0.0227
10	A	123.8555	0.0582
11	A	136.2325	0.0298
12	A	145.4214	0.0701
13	A	148.0725	0.1421
14	A	186.4761	0.4819
15	A	189.3937	0.3427
16	A	208.5047	0.6550
17	A	218.6267	0.2492
18	A	228.5244	0.1081
19	A	236.5490	0.1925
20	A	240.3556	0.0303
21	A	251.7444	0.0087
22	A	254.2692	2.2850
23	A	265.0244	0.0401
24	A	274.3702	0.5415
25	A	277.8634	3.9418
26	A	291.3625	3.5766
27	A	292.7400	25.9103
28	A	300.1030	6.2289
29	A	303.5588	60.3341
30	A	313.7211	5.1216
31	A	319.5674	7.6339
32	A	339.6304	4.9949
33	A	347.9190	2.6991
34	A	359.2010	1.4892
35	A	385.1873	0.0621
36	A	407.4684	0.4201
37	A	415.2420	0.2760
38	A	430.4671	0.0996
39	A	431.8632	0.5225
40	A	452.4685	0.3118
41	A	456.3670	0.5096
42	A	470.6997	3.1863
43	A	474.0015	1.3376
44	A	491.4542	0.4978
45	A	507.2864	4.3823
46	A	527.4461	2.2618
47	A	549.9761	0.6312
48	A	595.5627	3.1938
49	A	598.7480	0.8175
50	A	611.3182	0.2942
51	A	635.3957	0.7074
52	A	647.6555	1.1567
53	A	705.3225	1.9850
54	A	727.7354	1.4785
55	A	748.9020	2.0467
56	A	753.2086	7.3178
57	A	813.6211	1.5161
58	A	818.1514	3.7074
59	A	820.4485	0.3122
60	A	831.2486	2.5031
61	A	842.9906	1.2025
62	A	851.8601	0.4849
63	A	856.2198	4.6496
64	A	860.1739	2.8809
65	A	883.7248	0.3534
66	A	901.2376	1.5903
67	A	908.5617	1.4207
68	A	927.5338	0.3167
69	A	938.2286	1.8278
70	A	944.2324	2.7383
71	A	951.5074	6.0052
72	A	954.5993	1.8070
73	A	966.9723	2.4654
74	A	972.3848	0.2937
75	A	975.0972	6.2287
76	A	979.5291	10.5815
77	A	990.0481	2.7731
78	A	1001.2752	0.8620
79	A	1006.5156	0.8581
80	A	1008.7428	0.8797
81	A	1025.2267	4.5515
82	A	1028.7904	3.7893
83	A	1035.0695	3.0428
84	A	1043.6570	5.0473
85	A	1053.3230	24.5767
86	A	1059.5029	4.9248
87	A	1065.7776	0.4179
88	A	1071.1210	8.5140
89	A	1076.5440	7.7222
90	A	1082.8915	5.7852
91	A	1095.6979	49.5925
92	A	1102.9890	17.5298
93	A	1111.1288	4.6067
94	A	1117.1621	14.1275
95	A	1133.8099	3.5795
96	A	1138.7129	13.1938
97	A	1145.8843	0.6528
98	A	1157.6005	4.4985
99	A	1161.4902	2.9749
100	A	1170.8163	1.8909
101	A	1175.5602	1.1772
102	A	1183.5178	1.5937
103	A	1198.8461	3.6998
104	A	1202.7580	11.6141
105	A	1205.9490	0.3213
106	A	1215.8333	25.6044
107	A	1225.6061	2.7138
108	A	1237.9224	0.0752
109	A	1244.1602	1.3768
110	A	1249.4645	23.4329
111	A	1260.5253	2.1316
112	A	1267.2086	2.9620
113	A	1274.4107	0.5030
114	A	1279.3032	1.8608
115	A	1292.2046	1.6790
116	A	1301.5409	0.9757
117	A	1308.4887	4.7509
118	A	1310.0357	1.8469
119	A	1320.9059	4.2201
120	A	1325.0916	1.5036
121	A	1335.7030	0.5405
122	A	1339.1825	3.7814
123	A	1343.7819	4.8202
124	A	1348.5858	0.0499
125	A	1349.2759	0.1907
126	A	1356.5051	0.7315
127	A	1362.2866	3.8823
128	A	1365.0368	1.8696
129	A	1372.4336	1.5553
130	A	1379.9869	0.7216
131	A	1384.6629	2.2072
132	A	1388.4416	2.2212
133	A	1390.1746	3.7017
134	A	1395.8960	2.8903
135	A	1398.7275	0.0403
136	A	1402.2995	1.1423
137	A	1405.8590	0.4812
138	A	1411.6700	0.6958
139	A	1415.7917	1.5964
140	A	1420.8896	18.3395
141	A	1422.5249	2.2579
142	A	1430.2269	5.5202
143	A	1431.5287	4.2948
144	A	1441.1235	6.9122
145	A	1444.1966	20.5823
146	A	1449.1840	3.2261
147	A	1450.5493	3.4392
148	A	1452.4561	0.4539
149	A	1508.4267	1.8375
150	A	1509.0026	0.3319
151	A	1509.5966	3.6745
152	A	1511.7166	1.2836
153	A	1512.4903	0.6758
154	A	1513.7744	0.7498
155	A	1520.2387	0.8870
156	A	1521.7618	1.4957
157	A	1524.5706	2.4860
158	A	1525.6622	1.2320
159	A	1528.5661	1.1884
160	A	1529.1597	2.2644
161	A	1535.0671	1.0556
162	A	1535.6700	2.8112
163	A	1535.7527	10.5403
164	A	1536.7476	3.1181
165	A	1541.6004	10.4514
166	A	1541.7668	2.4960
167	A	1542.4585	1.9353
168	A	1547.2044	3.7293
169	A	1552.9654	5.6962
170	A	1744.4689	2.1997
171	A	2963.7652	4.8691
172	A	2966.3768	38.3669
173	A	2980.3001	7.7400
174	A	2985.3802	36.1143
175	A	2994.1247	9.7492
176	A	2999.9938	5.5984
177	A	3000.8804	16.0742
178	A	3007.9751	5.8382
179	A	3012.4934	33.2170
180	A	3017.2024	43.8064
181	A	3021.6434	37.9340
182	A	3025.7800	26.5178
183	A	3027.6862	26.4309
184	A	3029.5839	21.6672
185	A	3029.7901	49.4299
186	A	3034.0521	42.7976
187	A	3038.3805	24.9066
188	A	3039.8517	21.8324
189	A	3043.8129	11.7482
190	A	3044.7098	9.2377
191	A	3048.5636	35.1160
192	A	3049.5644	47.1407
193	A	3052.4602	7.9464
194	A	3056.5322	12.4711
195	A	3058.6518	2.1903
196	A	3061.7466	44.0852
197	A	3069.0472	24.3362
198	A	3072.9569	27.8859
199	A	3076.5746	99.2786
200	A	3085.5403	74.8161
201	A	3091.3181	19.7048
202	A	3093.2455	28.9695
203	A	3095.7105	40.7570
204	A	3095.8321	5.8241
205	A	3102.0920	77.7774
206	A	3106.9655	49.3763
207	A	3110.0357	77.8846
208	A	3114.6452	7.6168
209	A	3116.3847	47.8507
210	A	3120.3799	41.5975
211	A	3122.6707	22.2785
212	A	3130.6964	97.4152
213	A	3132.0675	1.9483
214	A	3140.6778	47.5953
215	A	3141.3330	17.7694
216	A	3734.7339	7.9626
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm-1)

SEE YOU NOW, YOUR BAIT OF FALSEHOOD TAKES THIS CARP OF TRUTH. AND THUS DO WE OF WISDOM AND OF REACH... BY INDIRECTIONS FIND DIRECTIONS OUT. -- HAMLET, II, 1