WebMO Job Summary

Quantity	Value
Route	#N M062X/6-311+G(2d,p) OPT FREQ Geom=Connectivity
Stoichiometry	C6H5F
Symmetry	C2V
Basis	6-311+G(2d,p)
RM062X Energy	-331.45096967 Hartree
ZPE	0.093009 Hartree
Conditions	298.150K, 1.00000 atm
Internal Energy	-331.352869 Hartree
Enthalpy	-331.351925 Hartree
Free Energy	-331.386092 Hartree
Cv	19.857 cal/mol-K
Entropy	71.911 cal/mol-K
Dipole Moment	1.6181 Debye
Server	batch (127420)
CPU time	1638 sec

Step	Energy
0	-331.436617517
1	-331.450807716
2	-331.450953558
3	-331.450968774
4	-331.450969670
5	-331.450969670
6	-331.450969670
Animation speed
Loop	None Loop Cycle

Constant	Frequency (GHz)	Frequency (cm-1)
a	5.72359	0.19091841196
b	2.59094	0.08642445568
c	1.78356	0.05949315776

Atom	Symbol	Charge
1	C	-0.158378
2	C	-0.132435
3	C	-0.158378
4	C	0.085670
5	C	-0.081782
6	C	0.085670
7	H	0.138911
8	F	-0.299838
9	H	0.138911
10	H	0.128211
11	H	0.125228
12	H	0.128211

Mode	Symmetry	Frequency (cm-1)	IR (Raman) Intensity	Actions
1	B1	241.6571	0.0629
2	B2	410.5340	2.3293
3	A2	427.8241	0.0000
4	B1	516.5284	11.3498
5	A1	527.7741	5.2952
6	B2	628.1787	0.1646
7	B1	706.8631	24.0919
8	B1	781.9651	68.8122
9	A1	837.5629	25.1376
10	A2	851.8281	0.0000
11	B1	933.3787	9.0036
12	A2	991.7322	0.0000
13	B1	1010.6979	0.2497
14	A1	1029.9788	0.2131
15	A1	1051.7585	3.9228
16	B2	1098.1846	7.0372
17	B2	1178.8015	0.0615
18	A1	1179.1279	8.7842
19	A1	1281.8766	98.4560
20	B2	1326.5453	0.3590
21	B2	1348.9634	0.6558
22	B2	1508.2778	1.3323
23	A1	1548.5594	88.4850
24	A1	1678.9546	55.9080
25	B2	1686.8865	8.9071
26	A1	3188.4509	0.0055
27	B2	3196.9912	4.5718
28	A1	3208.8348	5.8452
29	B2	3223.4643	0.0792
30	A1	3224.1736	0.0883
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm-1)

K N O W I N G IS A BARRIER WHICH PREVENTS LEARNING -- TEACHING OF THE BENE GESSERIT