WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-311+G(2d,p) OPT FREQ Geom=Connectivity
Stoichiometry	C3H6Cl2Si
Symmetry	C1
Basis	6-311+G(2d,p)
RB3LYP Energy	-1327.97766662 Hartree
ZPE	0.080172 Hartree
Conditions	298.150K, 1.00000 atm
Internal Energy	-1327.889264 Hartree
Enthalpy	-1327.888320 Hartree
Free Energy	-1327.932050 Hartree
Cv	27.758 cal/mol-K
Entropy	92.037 cal/mol-K
Dipole Moment	3.0538 Debye
Server	batch (624867)
CPU time	5770.2 sec

Step	Energy
0	-1327.67947768
1	-1327.81303873
2	-1327.92449640
3	-1327.95162542
4	-1327.96870676
5	-1327.97413470
6	-1327.97603578
7	-1327.97673707
8	-1327.97716063
9	-1327.97741743
10	-1327.97760928
11	-1327.97764735
12	-1327.97766198
13	-1327.97766546
14	-1327.97766643
15	-1327.97766657
16	-1327.97766662
17	-1327.97766662
18	-1327.97766662
Animation speed
Loop	None Loop Cycle

Constant	Frequency (GHz)	Frequency (cm-1)
a	2.01370	0.06716980185
b	1.26615	0.04223421791
c	0.88779	0.02961348681

Mode	Symmetry	Frequency (cm-1)	IR (Raman) Intensity	Actions
1	A	30.3295	0.5559
2	A	109.9473	0.4441
3	A	168.4867	0.3591
4	A	204.3575	0.4284
5	A	224.0385	0.4632
6	A	246.2572	4.8464
7	A	407.3722	7.1912
8	A	420.8647	3.4488
9	A	497.5875	34.0187
10	A	539.9959	85.8484
11	A	606.0868	38.9978
12	A	722.5585	4.8474
13	A	844.3989	54.8917
14	A	866.3376	131.0704
15	A	885.7417	143.0557
16	A	957.1592	94.2319
17	A	968.4791	16.1954
18	A	1069.5618	1.1528
19	A	1136.7861	4.4477
20	A	1345.8726	4.4107
21	A	1415.0529	1.9384
22	A	1480.8340	6.5959
23	A	1484.7475	19.1570
24	A	1663.4854	19.1148
25	A	2269.9456	78.3905
26	A	2288.2890	72.1752
27	A	3022.2131	17.6619
28	A	3062.3174	9.2274
29	A	3117.8417	0.6737
30	A	3134.6194	13.0289
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm-1)

ON THE CHOICE OF THE CORRECT LANGUAGE - I SPEAK SPANISH TO GOD, ITALIAN TO WOMEN, FRENCH TO MEN, AND GERMAN TO MY HORSE. -- CHARLES V