WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-311+G(2d,p) OPT(AddRedundant) NOSYMMETRY
Method	B3LYP
Stoichiometry	C9H11NO
Symmetry	C1
Basis	6-311+G(2d,p)
RB3LYP Energy	-479.716009665 Hartree
Dipole Moment	3.1502 Debye
Server	class (386811)
CPU time	157736.3 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	2.2881184	0.07632341438
b	0.7352860	0.02452650093
c	0.5624275	0.01876056202

Atom	Symbol	Charge
1	C	0.554956
2	N	-0.355080
3	C	-0.296500
4	C	1.062008
5	C	-0.167025
6	C	-0.101440
7	C	-0.088315
8	C	-0.360536
9	H	0.061329
10	H	0.082367
11	H	0.082703
12	H	0.078916
13	C	-0.564259
14	H	0.106368
15	H	0.137517
16	H	0.159021
17	O	-0.476103
18	C	-0.531914
19	H	0.150484
20	H	0.149869
21	H	0.111878
22	H	0.203756

Coordinate	Energy (au)
0.000000	-479.715979
9.000172	-479.717585
18.000191	-479.719681
27.000117	-479.721834
36.000181	-479.723789
45.000123	-479.725349
54.000090	-479.726376
63.000026	-479.726791
71.999943	-479.726592
80.999901	-479.725879
90.000028	-479.72505
99.000150	-479.72491
108.000016	-479.725455
117.000122	-479.726187
126.000075	-479.726959
134.999975	-479.727665
144.000016	-479.728248
152.999993	-479.728685
162.000019	-479.729006
170.999987	-479.729195
-179.999977	-479.729255
-170.999968	-479.729193
-161.999957	-479.729003
-152.999987	-479.728684
-143.999952	-479.728249
-134.999943	-479.727667
-125.999895	-479.726963
-116.999985	-479.72619
-107.999942	-479.725452
-98.999955	-479.724908
-89.999980	-479.725046
-80.999894	-479.725878
-71.999874	-479.72659
-62.999960	-479.726791
-54.000029	-479.726379
-45.000075	-479.72535
-36.000159	-479.72379
-27.000198	-479.721836
-18.000127	-479.719679
-9.000124	-479.717581
-0.000074	-479.71601
Animation speed
Loop	None Loop Cycle

Where a calculator on the ENIAC is equipped with 18,000 vacuum tubes and weighs 30 tons, computers inthe future may have only 1,000 vacuum tubes and weigh only 1 1/2 tons. ---Popular Mechanics, March 1949