WebMO Job Summary

Overview

Quantity	Value
Route	#N M062X/6-311+G(2d,p) OPT FREQ Geom=Connectivity
Stoichiometry	C₈H₈NO₄(1+)
Symmetry	C1
Basis	6-311+G(2d,p)
RM062X Energy	-664.821988678 Hartree
ZPE	0.157575 Hartree
Conditions	298.150K, 1.00000 atm
Internal Energy	-664.652599 Hartree
Enthalpy	-664.651655 Hartree
Free Energy	-664.703309 Hartree
C_v	42.399 cal/mol-K
Entropy	108.715 cal/mol-K
Dipole Moment	7.6658 Debye
Server	batch (126795)
CPU time	53837.3 sec

Geometry Sequence Energies

Step	Energy
0	-664.744048042
1	-664.792267723
2	-664.811765048
3	-664.816860468
4	-664.814622662
5	-664.818577425
6	-664.819466586
7	-664.818747035
8	-664.820379348
9	-664.820746057
10	-664.820511106
11	-664.821068106
12	-664.821410010
13	-664.821566674
14	-664.821856279
15	-664.821942385
16	-664.821978467
17	-664.821987074
18	-664.821987887
19	-664.821988466
20	-664.821988655
21	-664.821988678
22	-664.821988678
23	-664.821988678
Animation speed
Loop

Rotational Constants

Constant	Frequency (GHz)	Frequency (cm^-1)
a	1.15533	0.03853766061
b	0.75743	0.02526514526
c	0.51259	0.01709816196

Partial Charges

Atom	Symbol	Charge
1	C	-0.248233
2	O	-0.247530
3	C	0.266547
4	C	0.797803
5	C	-0.523682
6	C	-0.003845
7	C	-0.164932
8	C	-0.040899
9	C	-0.307742
10	H	0.216743
11	H	0.214051
12	H	0.194141
13	H	0.231121
14	N	0.261921
15	O	-0.077772
16	O	-0.123143
17	H	0.317004
18	O	-0.345417
19	H	0.186980
20	H	0.194935
21	H	0.201948

Vibrational Modes

Mode	Symmetry	Frequency (cm^-1)	IR (Raman) Intensity	Actions
1	A	44.9985	2.4719
2	A	73.3904	2.3686
3	A	84.5950	3.2829
4	A	98.6988	5.0727
5	A	127.2946	1.1594
6	A	161.2946	0.2228
7	A	202.1427	2.0950
8	A	224.1872	3.7764
9	A	301.1830	6.5948
10	A	309.2392	8.0173
11	A	351.0333	2.1075
12	A	386.7143	14.0036
13	A	435.8978	1.2499
14	A	444.3083	4.6067
15	A	528.0418	10.3661
16	A	605.8710	7.7399
17	A	675.1472	3.2637
18	A	693.5265	17.1485
19	A	712.5331	43.1636
20	A	788.2877	6.6156
21	A	845.8832	40.9401
22	A	852.9637	77.7130
23	A	873.6678	19.5036
24	A	953.7111	3.1240
25	A	976.7054	64.4566
26	A	991.7806	28.0886
27	A	1011.5655	37.9813
28	A	1040.8389	1.7733
29	A	1074.0863	15.0210
30	A	1079.3832	3.0757
31	A	1118.6941	17.1878
32	A	1136.0287	51.6069
33	A	1178.5863	8.1852
34	A	1185.4210	1.7906
35	A	1196.9398	42.8838
36	A	1229.9292	8.8358
37	A	1287.5518	143.4184
38	A	1339.6518	392.8763
39	A	1412.5933	153.7590
40	A	1426.0997	14.1098
41	A	1461.7185	146.5137
42	A	1487.1764	53.2801
43	A	1495.4109	17.0396
44	A	1499.7021	15.8223
45	A	1519.7798	124.8346
46	A	1589.5047	22.3004
47	A	1678.0915	135.9773
48	A	1752.3958	381.2258
49	A	1862.6097	212.2944
50	A	2973.1722	79.7340
51	A	3096.6295	3.0270
52	A	3188.4994	1.0731
53	A	3205.4470	14.5950
54	A	3215.4630	4.1337
55	A	3222.7786	20.1728
56	A	3226.2393	0.9112
57	A	3232.4347	22.7973
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm^-1)

Quote

A ROPE OVER THE TOP OF A FENCE HAS THE SAME LENGTH ON EACH SIDE. WEIGHS 1/3 POUND PER FOOT. ON ONE END HANGS A MONKEY HOLDING A BANANA, AND ON THE OTHER END A WEIGHT EQUAL TO THE WEIGHT OF THE MONKEY. THE BANANA WEIGHS TWO OUNCES PER INCH. THE ROPE IS AS LONG AS THE AGE OF THE MONKEY, AND THE WEIGHT OF THE MONKEY (IN OUNCES) IS AS MUCH AS THE AGE OF THE MONKEY'S MOTHER. THE COMBINED AGES OF MONKEY AND MOTHER ARE THIRTY YEARS. HALF THE WEIGHT OF THE MONKEY, PLUS THE WEIGHT OF THE BANANA, IS ONE FOURTH AS MUCH AS THE WEIGHT OF THE WEIGHT AND THE ROPE. THE MONKEY'S MOTHER IS HALF AS OLD AS THE MONKEY WILL BE WHEN IT IS 3 TIMES AS OLD AS ITS MOTHER WAS WHEN SHE WAS HALF AS OLD AS THE MONKEY WILL BE WHEN IT IS AS OLD AS ITS MOTHER WILL BE WHEN SHE IS 4 TIMES AS OLD AS THE MONKEY WAS WHEN IT WAS TWICE AS OLD AS ITS MOTHER WAS WHEN SHE WAS ONE THIRD AS OLD AS THE MONKEY WAS WHEN IT WAS AS OLD AS ITS MOTHER WAS WHEN SHE WAS 3 TIMES AS OLD AS THE MONKEY WAS WHEN IT WAS AS OLD AS ITS MOTHER WAS WHEN SHE WAS 3 TIMES AS OLD AS THE MONKEY WAS WHEN IT WAS ONE FOURTH WAS OLD AS IT IS NOW. HOW LONG IS THE BANANA?