WebMO Job Summary

Quantity	Value
Route	#N MP2/6-31G(d) OPT FREQ Geom=Connectivity
Stoichiometry	C14H12O2
Symmetry	C1
Basis	6-31G(d)
RHF Energy	-686.8626616 Hartree
MP2 Energy	-688.99414166285 Hartree
ZPE	0.224870 Hartree
Conditions	298.150K, 1.00000 atm
Internal Energy	-688.755815 Hartree
Enthalpy	-688.754871 Hartree
Free Energy	-688.810954 Hartree
Cv	52.768 cal/mol-K
Entropy	118.036 cal/mol-K
Dipole Moment	4.4095 Debye
Server	batch (202932)
CPU time	192585.3 sec

Step	Energy
0	-686.856666525
1	-686.861807649
2	-686.860789261
3	-686.862071331
4	-686.862607658
5	-686.862182053
6	-686.862586128
7	-686.862652895
8	-686.862661240
9	-686.862664125
10	-686.862665455
11	-686.862659176
12	-686.862660440
13	-686.862661600
14	-686.862661600
15	-686.862661600
Animation speed
Loop	None Loop Cycle

Constant	Frequency (GHz)	Frequency (cm-1)
a	0.82865	0.02764078875
b	0.38451	0.01282587302
c	0.31469	0.01049692851

Atom	Symbol	Charge
1	C	0.099913
2	C	0.501926
3	C	-0.098716
4	C	-0.166111
5	C	-0.214715
6	C	-0.176585
7	C	-0.220038
8	C	-0.182571
9	H	0.230720
10	H	0.211727
11	H	0.215742
12	H	0.213223
13	H	0.256066
14	O	-0.613742
15	C	0.012830
16	C	-0.207555
17	C	-0.196532
18	C	-0.200496
19	C	-0.199234
20	C	-0.225260
21	H	0.203474
22	H	0.205235
23	H	0.205367
24	H	0.207901
25	H	0.228779
26	O	-0.760005
27	H	0.479250
28	H	0.189407

Mode	Symmetry	Frequency (cm-1)	IR (Raman) Intensity	Actions
1	A	23.6155	0.1144
2	A	36.2855	0.1272
3	A	57.5989	0.1377
4	A	93.8370	0.6736
5	A	145.3871	0.1801
6	A	158.6039	0.6262
7	A	189.1914	4.7983
8	A	251.5118	6.3928
9	A	309.8469	4.6257
10	A	359.5122	5.5212
11	A	390.1951	6.2531
12	A	393.1301	14.6785
13	A	396.6255	1.4209
14	A	412.3238	14.7260
15	A	460.0816	54.9639
16	A	480.1753	6.6705
17	A	501.0878	13.0754
18	A	516.8192	5.5632
19	A	549.1524	13.6409
20	A	628.4678	3.9836
21	A	631.3546	6.4094
22	A	633.6432	32.7011
23	A	683.5541	12.5107
24	A	709.0731	45.8227
25	A	740.9199	56.0708
26	A	747.5512	29.0376
27	A	830.7075	0.5008
28	A	837.2608	0.0639
29	A	865.0490	6.5790
30	A	872.3424	2.6897
31	A	878.9174	2.0995
32	A	883.0372	2.3503
33	A	894.2481	0.2871
34	A	896.3172	0.5256
35	A	901.3730	0.5810
36	A	909.0795	0.6203
37	A	1012.5597	89.7386
38	A	1023.0757	2.5007
39	A	1024.4105	6.4849
40	A	1067.8483	2.5420
41	A	1071.4653	0.7545
42	A	1121.6220	33.9234
43	A	1131.8418	8.9363
44	A	1140.3370	61.7959
45	A	1216.3314	0.0924
46	A	1217.7859	0.9529
47	A	1233.6611	21.7812
48	A	1233.8490	1.4306
49	A	1242.0589	15.7467
50	A	1252.6914	17.8547
51	A	1324.9257	132.3967
52	A	1346.8605	101.3632
53	A	1367.2483	23.3074
54	A	1393.0638	1.9113
55	A	1468.6420	98.5106
56	A	1477.1619	2.9885
57	A	1480.6532	6.8718
58	A	1508.1080	19.5235
59	A	1513.7516	5.0008
60	A	1552.2552	6.8774
61	A	1554.3883	1.9990
62	A	1653.6695	12.5387
63	A	1660.7022	0.7602
64	A	1674.8533	4.9078
65	A	1675.5744	7.2164
66	A	1732.3558	78.9752
67	A	3083.4629	23.3252
68	A	3205.5250	6.8291
69	A	3217.9750	0.6254
70	A	3224.6808	0.1501
71	A	3227.0951	2.6473
72	A	3235.7651	3.8701
73	A	3235.9652	22.4228
74	A	3244.9674	12.3003
75	A	3246.5939	15.5267
76	A	3255.0884	6.3573
77	A	3263.9886	2.8574
78	A	3623.6148	87.1148
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm-1)

I WOULD TAKE COUNSEL OF MYSELF. I WOULD STOP AND LOOK WITHIN AND LOOKING WITHIN, LOOK BACK, ALSO THAT I MAY LOOK AHEAD WITH CLEARER UNDERSTANDING OF THE WAY I HAVE BEEN MOVING, AND IN WHAT DIRECTION. I NEED TO KNOW IF I AM GOING FORWARD OR RETREATING, WHETHER I HAVE BEEN WASTING, OR ENJOYING THE PRECIOUS MOMENTS OF LIFE. THERE HAVE BEEN FRICTIONS, ANNOYANCES AND SOMETIMES WRATH, BUT WERE THEY BECAUSE I WAS RIGHT AND OTHERS WRONG..... HAVE I HAD MY THOUGHTS TOO SHARPLY FOCUSED ON THAT WHICH PLEASED ME, SERVED MY SELF-ESTEEM, UNDERGIRDED MY SECURITY, OF WHICH I DID NOT INQUIRE WHETHER IT SERVED OR HAMPERED OTHERS..... HAVE I BEEN TRYING TO STOP THE CLOCK TO HOLD THE WORLD IN PERPETUATION OF WHAT WAS AN IS ALREADY SLIPPING AWAY..... HAVE I BEEN CRITICAL OF OTHERS FOR WHAT REALLY NEEDED CHANGING IN ME... LET ME INDEED TAKE COUNSEL OF MYSELF AND SET MY DIRECTIONS STRAIGHT. R.T. WESTON AS ADAPTED BY D. OSBORN 1967