WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) OPT FREQ Geom=Connectivity
Stoichiometry	C3H7Cl
Symmetry	CS
Basis	6-31G(d)
RB3LYP Energy	-578.743604371 Hartree
ZPE	0.095359 Hartree
Conditions	298.150K, 1.00000 atm
Internal Energy	-578.642995 Hartree
Enthalpy	-578.642050 Hartree
Free Energy	-578.676396 Hartree
Cv	17.937 cal/mol-K
Entropy	72.287 cal/mol-K
Dipole Moment	2.3730 Debye
Server	batch (548917)
CPU time	347.9 sec

Step	Energy
0	-578.740214666
1	-578.742966974
2	-578.743559783
3	-578.743600819
4	-578.743604097
5	-578.743604371
6	-578.743604371
7	-578.743604371
Animation speed
Loop	None Loop Cycle

Constant	Frequency (GHz)	Frequency (cm-1)
a	8.00359	0.26697102567
b	4.45426	0.14857812067
c	3.14023	0.10474679787

Mode	Symmetry	Frequency (cm-1)	IR (Raman) Intensity	Actions
1	A"	244.5896	0.0605
2	A'	271.6570	0.1830
3	A"	321.2422	1.9911
4	A'	337.1300	2.3682
5	A'	422.1571	2.7687
6	A'	608.9767	35.3124
7	A'	894.6073	11.2006
8	A"	953.2687	1.2029
9	A"	961.0878	0.2893
10	A'	1094.2759	15.3266
11	A"	1156.0641	3.1698
12	A'	1199.3380	17.2534
13	A'	1306.1124	41.0732
14	A"	1378.1518	2.7048
15	A"	1433.3162	8.5358
16	A'	1448.3174	4.2710
17	A"	1509.5630	1.7329
18	A"	1515.8451	0.5983
19	A'	1521.9325	6.6859
20	A'	1535.9828	6.5877
21	A"	3049.1437	11.2074
22	A'	3054.7423	22.9955
23	A'	3102.9935	1.4578
24	A"	3117.9466	3.4571
25	A'	3126.0745	37.9626
26	A"	3144.5034	13.7156
27	A'	3148.7082	29.9551
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm-1)

HUMANKIND PERIODICALLY GOES THROUGH A SPEEDUP OF ITS AFFAIRS, THEREBY EXPERIENCING THE RACE BETWEEN THE RENEWABLE VITALITY OF THE LIVING, AND THE BECKONING VITIATION OF DECADENCE. IN THIS PERIODIC RACE, ANY PAUSE BECOMES A LUXURY. ONLY THEN CAN ONE REFLECT THAT ALL IS PERMITTED; ALL IS POSSIBLE. -- THE APOCRYPHA OF MUAD'DIB CHILDREN OF DUNE, BY FRANK HERBERT