WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-311+G(2d,p) OPT FREQ SCRF=(PCM,Solvent=Methanol) Geom=Conne
Stoichiometry	C2H8N2
Symmetry	C2
Basis	6-311+G(2d,p)
RB3LYP Energy	-190.597350535 Hartree
ZPE	0.110223 Hartree
Conditions	298.150K, 1.00000 atm
Internal Energy	-190.481537 Hartree
Enthalpy	-190.480593 Hartree
Free Energy	-190.514239 Hartree
Cv	18.641 cal/mol-K
Entropy	70.814 cal/mol-K
Dipole Moment	2.6181 Debye
Server	batch (413218)
CPU time	581.9 sec

Step	Energy
0	-190.597201442
1	-190.597327856
2	-190.597346526
3	-190.597349404
4	-190.597350187
5	-190.597350482
6	-190.597350535
7	-190.597350535
8	-190.597350535
Animation speed
Loop	None Loop Cycle

Constant	Frequency (GHz)	Frequency (cm-1)
a	27.37162	0.91301896594
b	3.78783	0.12634840867
c	3.54920	0.11838856867

Atom	Symbol	Charge
1	C	-0.097093
2	N	-0.563748
3	H	0.226481
4	H	0.238928
5	C	-0.097093
6	N	-0.563748
7	H	0.238928
8	H	0.226481
9	H	0.103259
10	H	0.092172
11	H	0.092172
12	H	0.103259

Mode	Symmetry	Frequency (cm-1)	IR (Raman) Intensity	Actions
1	A	140.6713	4.9124
2	A	228.6060	50.7378
3	B	236.2806	57.2916
4	B	299.2973	41.4770
5	A	473.4139	6.8921
6	A	802.2412	16.4059
7	B	865.3943	296.0076
8	A	883.5257	75.2016
9	A	953.3751	18.2799
10	B	1037.6504	41.9017
11	B	1061.8741	19.3943
12	A	1084.2777	2.1490
13	A	1183.2950	9.4580
14	B	1236.3206	4.4660
15	B	1327.4549	4.8615
16	A	1334.8043	1.3438
17	B	1389.2365	15.7537
18	A	1438.3401	0.4253
19	A	1497.5332	0.5127
20	B	1517.4041	4.6733
21	B	1644.2238	56.5682
22	A	1648.8573	42.4751
23	B	2950.2119	171.8866
24	A	2956.1285	58.9370
25	B	3050.1319	38.5714
26	A	3064.4576	78.7820
27	B	3483.7789	0.4051
28	A	3484.2930	0.0575
29	A	3554.3876	3.0578
30	B	3554.8448	6.1243
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm-1)

Some scientists claim that hydrogen, because it is so plentiful, is the basic building block of the universe. I dispute that. I say that stupidity is far more abundant than hydrogen, and THAT is the basic building block of the universe. --Frank Zappa