WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) OPT FREQ Geom=Connectivity
Stoichiometry	C13H20Si
Symmetry	C1
Basis	6-31G(d)
RB3LYP Energy	-796.941886693 Hartree
ZPE	0.293667 Hartree
Conditions	298.150K, 1.00000 atm
Internal Energy	-796.630872 Hartree
Enthalpy	-796.629928 Hartree
Free Energy	-796.694779 Hartree
Cv	63.459 cal/mol-K
Entropy	136.491 cal/mol-K
Dipole Moment	0.2799 Debye
Server	batch (156132)
CPU time	18776.8 sec

Step	Energy
0	-796.588404088
1	-796.908324361
2	-796.926365205
3	-796.935906492
4	-796.938895899
5	-796.939835296
6	-796.940307033
7	-796.940926989
8	-796.940631067
9	-796.941308075
10	-796.941619705
11	-796.941771264
12	-796.941799685
13	-796.941820361
14	-796.941827804
15	-796.941832891
16	-796.941834397
17	-796.941835171
18	-796.941835483
19	-796.941835758
20	-796.941836017
21	-796.941836252
22	-796.941836520
23	-796.941836915
24	-796.941837371
25	-796.941837639
26	-796.941836667
27	-796.941836146
28	-796.941837498
29	-796.935097992
30	-796.941837762
31	-796.917836038
32	-796.941837898
33	-796.941703492
34	-796.941820151
35	-796.941844338
36	-796.940909346
37	-796.941846648
38	-796.941824482
39	-796.941517270
40	-796.941855972
41	-796.941793141
42	-796.941879373
43	-796.941674908
44	-796.941837791
45	-796.941883495
46	-796.941884745
47	-796.941885852
48	-796.941885982
49	-796.941885816
50	-796.941886244
51	-796.941886580
52	-796.941886702
53	-796.941886712
54	-796.941886693
55	-796.941886693
56	-796.941886693
Animation speed
Loop	None Loop Cycle

Constant	Frequency (GHz)	Frequency (cm-1)
a	0.86983	0.02901440569
b	0.38949	0.01299198794
c	0.34874	0.01163271426

Atom	Symbol	Charge
1	C	-0.310236
2	C	-0.460121
3	H	0.145654
4	H	0.143123
5	H	0.154313
6	Si	0.693475
7	C	-0.667073
8	H	0.163604
9	H	0.157664
10	H	0.169216
11	C	-0.672640
12	H	0.165869
13	H	0.161248
14	H	0.161076
15	C	-0.040871
16	C	-0.181225
17	C	-0.120631
18	C	-0.133766
19	C	-0.123126
20	C	-0.178755
21	H	0.130922
22	H	0.127434
23	H	0.128983
24	H	0.127000
25	H	0.124572
26	C	-0.107244
27	C	-0.110562
28	C	-0.486010
29	H	0.152352
30	H	0.153779
31	H	0.150264
32	H	0.117482
33	H	0.125890
34	H	0.138337

Mode	Symmetry	Frequency (cm-1)	IR (Raman) Intensity	Actions
1	A	12.8837	0.0045
2	A	29.9737	0.0081
3	A	50.2056	0.0318
4	A	62.8929	0.0135
5	A	123.1378	0.0826
6	A	126.3308	0.0230
7	A	139.4126	0.4395
8	A	144.2340	0.0834
9	A	147.4831	0.4970
10	A	165.8924	0.0878
11	A	187.0350	0.0685
12	A	199.7275	0.2845
13	A	210.5346	1.7247
14	A	225.0486	0.0616
15	A	245.1172	1.5061
16	A	277.9603	2.0958
17	A	328.3962	3.0488
18	A	367.9986	10.3260
19	A	394.1882	4.8285
20	A	405.2798	0.0704
21	A	466.2136	8.9881
22	A	491.3429	10.9456
23	A	561.0369	17.4595
24	A	634.7575	0.6197
25	A	639.9698	12.7991
26	A	669.8101	21.2259
27	A	690.7893	7.7943
28	A	706.5436	5.3049
29	A	715.3831	24.6941
30	A	753.3564	62.2703
31	A	763.5665	5.0302
32	A	778.7105	7.3070
33	A	790.6314	44.3960
34	A	859.0503	150.8736
35	A	870.2667	1.8683
36	A	878.1965	87.2527
37	A	885.2945	18.2807
38	A	931.8172	0.1594
39	A	949.1153	16.8362
40	A	973.6044	0.0909
41	A	999.8953	0.0861
42	A	1003.7920	13.3878
43	A	1015.8192	0.2212
44	A	1019.7339	2.6244
45	A	1056.8444	0.3292
46	A	1059.0840	10.9317
47	A	1072.2625	1.7528
48	A	1078.9660	4.2879
49	A	1107.1937	0.1664
50	A	1130.8906	44.2162
51	A	1167.9798	2.7778
52	A	1194.4158	0.1050
53	A	1220.0427	11.5334
54	A	1226.5397	2.6466
55	A	1308.1045	1.1890
56	A	1317.6465	0.7516
57	A	1324.1302	1.7241
58	A	1325.2047	29.3854
59	A	1332.9402	21.3635
60	A	1371.9181	2.1459
61	A	1430.5986	4.7603
62	A	1436.0673	2.1374
63	A	1459.6246	10.2513
64	A	1474.4423	11.9437
65	A	1491.3639	0.2827
66	A	1492.9963	2.0653
67	A	1498.7851	3.6559
68	A	1505.0740	6.0999
69	A	1513.9052	3.7905
70	A	1522.2294	4.3892
71	A	1527.6318	4.8067
72	A	1536.4974	3.6997
73	A	1537.8133	0.4658
74	A	1627.4625	0.0210
75	A	1650.3448	1.3000
76	A	1730.8129	2.3585
77	A	3027.5399	3.3913
78	A	3032.4051	49.7155
79	A	3038.5001	31.3516
80	A	3042.8835	8.9726
81	A	3045.3855	6.7592
82	A	3072.6148	26.9817
83	A	3099.5842	32.7820
84	A	3109.8081	31.4025
85	A	3112.2692	2.4195
86	A	3114.5966	29.1504
87	A	3119.3127	12.9136
88	A	3122.6652	7.8408
89	A	3126.6315	12.7971
90	A	3131.4262	14.2994
91	A	3152.6629	50.3313
92	A	3172.3370	3.7358
93	A	3176.7284	1.8075
94	A	3186.2735	8.9159
95	A	3193.9550	51.9985
96	A	3204.9585	28.2802
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm-1)

THERE IS NOTHING NOBLE IN BEING SUPERIOR TO SOME OTHER MAN. TRUE NOBILITY IS BEING SUPERIOR TO YOUR FORMER SELF. -- HINDU PROVERB