WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-311+G(2d,p) OPT FREQ
Method	B3LYP
Stoichiometry	C3H9N
Symmetry	C3V
Basis	6-311+G(2d,p)
RB3LYP Energy	-174.53128465 Hartree
ZPE	0.119636 Hartree
Conditions	298.150K, 1.00000 atm
Internal Energy	-174.406183 Hartree
Enthalpy	-174.405238 Hartree
Free Energy	-174.437944 Hartree
Cv	18.897 cal/mol-K
Entropy	68.834 cal/mol-K
Dipole Moment	0.5686 Debye
Server	class (392076)
CPU time	450.1 sec

Step	Energy (au)
0	-174.524580685
1	-174.530033390
2	-174.531230261
3	-174.531284650
4	-174.531284650
5	-174.531284650
Animation speed
Loop	None Loop Cycle

Constant	Frequency (GHz)	Frequency (cm-1)
a	8.69967	0.29018975521
b	8.69967	0.29018975521
c	4.92435	0.16425863522

Atom	Symbol	Charge
1	C	-0.273183
2	N	-0.122008
3	C	-0.273183
4	H	0.108642
5	H	0.108642
6	H	0.096567
7	C	-0.273183
8	H	0.108642
9	H	0.096567
10	H	0.108642
11	H	0.108642
12	H	0.096567
13	H	0.108642

				Show all
Mode	Symmetry	Frequency (cm-1)	IR Intensity	Actions
1	A2	249.5956	0.0000
2	E	265.9665	0.5168
3	E	265.9672	0.5169
4	A1	359.7427	9.4439
5	E	423.0139	0.0066
6	E	423.0143	0.0065
7	A1	827.2902	23.6280
8	E	1052.3609	23.5854
9	E	1052.3614	23.5846
10	A2	1071.5426	0.0000
11	E	1118.6534	6.8489
12	E	1118.6535	6.8489
13	A1	1205.4170	23.0142
14	E	1301.1130	11.9761
15	E	1301.1140	11.9762
16	E	1441.9146	0.6094
17	E	1441.9147	0.6092
18	A1	1481.1095	0.0095
19	E	1482.4556	8.3203
20	E	1482.4558	8.3213
21	A2	1488.2951	0.0000
22	A1	1500.5524	28.1010
23	E	1510.2626	10.2905
24	E	1510.2628	10.2907
25	E	2897.0525	52.5983
26	E	2897.0547	52.6018
27	A1	2911.3758	208.5778
28	E	3050.4209	34.1549
29	E	3050.4210	34.1519
30	A1	3054.3852	34.3490
31	A2	3090.0074	0.0000
32	E	3094.1532	42.3613
33	E	3094.1532	42.3628
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm-1)

LIVE PURE, SPEAK TRUE, RIGHT WRONG, FOLLOW THE KING... ELSE, WHEREFORE BORN...... IDYLLS OF THE KING, TENNYSON