WebMO Job Summary

Quantity	Value
Route	#N M062X/6-311+G(2d,p) NMR Geom=Connectivity
Stoichiometry	C15H14O2
Symmetry	C1
Basis	6-311+G(2d,p)
RM062X Energy	-730.382939439 Hartree
Dipole Moment	4.7060 Debye
Server	batch (252311)
CPU time	7092.3 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	2.0907248	0.06973907262
b	0.1652707	0.00551283715
c	0.1558556	0.00519878322

Atom	Symbol	Charge
1	C	-0.621227
2	C	0.280676
3	C	0.665912
4	C	0.060804
5	C	-0.582992
6	C	0.876882
7	C	-0.793587
8	C	-0.630896
9	H	0.136813
10	H	0.132780
11	C	1.121083
12	C	-0.467025
13	C	-0.212998
14	C	-0.160038
15	C	0.331289
16	C	-1.007842
17	H	0.133571
18	H	0.125920
19	O	-0.289863
20	C	-0.277157
21	H	0.167433
22	H	0.161421
23	H	0.162419
24	H	0.132388
25	H	0.137802
26	H	0.136657
27	H	0.164658
28	O	-0.426316
29	H	0.186199
30	H	0.177030
31	H	0.178203

Atom	Symbol	Isotropic	Anisotropy
1	C*	29.8548	46.5435
2	C*	217.5928	197.7275
3	C*	155.4815	196.6478
4	C*	148.6543	225.2110
5	C*	147.8315	195.0209
6	C*	170.1194	227.7721
7	C*	146.1086	190.9917
8	C*	149.1747	205.5640
9	H*	8.9260	9.4962
10	H*	8.4565	10.2765
11	C*	154.1472	204.6885
12	C*	149.7952	197.3671
13	C*	137.5735	172.5687
14	C*	180.5660	163.4123
15	C*	126.3595	179.3357
16	C*	149.0596	196.7164
17	H*	8.4294	9.9263
18	H*	7.5931	9.0718
19	O	224.1292	87.7339
20	C*	55.4220	70.6119
21	H*	4.2311	8.4759
22	H*	3.6045	8.0987
23	H*	3.5918	7.8629
24	H*	7.9400	7.3658
25	H*	8.4122	9.4492
26	H*	8.5202	10.1286
27	H*	9.3221	7.9566
28	O	-402.1744	1144.6341
29	H*	2.5243	6.6972
30	H*	2.7372	4.2193
31	H*	2.7085	4.0514
*Denotes shift relative to TMS
TMS shielding (C)
TMS shielding (H)
1H NMR Spectrum
13C NMR Spectrum
Peak Width (ppm)

My opinions may have changed, but not the fact that I am right. -- Ashleigh Brilliant