WebMO Job Summary

Quantity	Value
Route	#N HF/6-31G(d) OPT FREQ Geom=Connectivity
Stoichiometry	C6H10
Symmetry	C1
Basis	6-31G(d)
RHF Energy	-233.019654783 Hartree
ZPE	0.157078 Hartree
Conditions	298.150K, 1.00000 atm
Internal Energy	-232.857412 Hartree
Enthalpy	-232.856467 Hartree
Free Energy	-232.891009 Hartree
Cv	19.488 cal/mol-K
Entropy	72.699 cal/mol-K
Dipole Moment	0.1894 Debye
Server	pauling.cs.moravian.edu (23046)
CPU time	309.2 sec

Step	Energy
0	-233.007870892
1	-233.009097809
2	-233.009204595
3	-233.009205275
4	-233.009205461
5	-233.009205800
6	-233.009207451
7	-232.990673907
8	-233.009036879
9	-233.009208092
10	-233.009221533
11	-233.009287493
12	-233.009167243
13	-233.009423816
14	-233.009670822
15	-233.010020960
16	-233.009816849
17	-233.011940034
18	-233.016425991
19	-233.017163382
20	-233.019189680
21	-233.019429727
22	-233.019553482
23	-233.019640533
24	-233.019653945
25	-233.019654783
26	-233.019654783
27	-233.019654783
Animation speed
Loop	None Loop Cycle

Constant	Frequency (GHz)	Frequency (cm-1)
a	4.75399	0.15857603729
b	4.57917	0.15274466978
c	2.56743	0.08564024649

Atom	Symbol	Charge
1	C	-0.330911
2	C	-0.180986
3	C	-0.180959
4	C	-0.330896
5	H	0.166241
6	H	0.167180
7	C	-0.319399
8	C	-0.319365
9	H	0.159938
10	H	0.162089
11	H	0.162077
12	H	0.159929
13	H	0.175815
14	H	0.175804
15	H	0.166260
16	H	0.167185

Mode	Symmetry	Frequency (cm-1)	IR (Raman) Intensity	Actions
1	A	181.6852	0.1272(0.8500)
2	A	298.3209	0.0253(1.3158)
3	A	433.1615	0.0071(5.3196)
4	A	487.8681	0.7353(1.2474)
5	A	535.9315	0.0037(2.2577)
6	A	714.8274	17.5151(5.6122)
7	A	798.9772	15.1558(4.4726)
8	A	876.4119	0.0003(21.1909)
9	A	899.0272	0.5664(0.8789)
10	A	942.5127	3.4411(1.6418)
11	A	972.2635	0.9224(2.4074)
12	A	1025.2218	6.1349(0.8225)
13	A	1105.1754	1.7901(0.7365)
14	A	1119.9326	0.0010(1.4704)
15	A	1121.4677	2.1566(8.6366)
16	A	1150.3997	0.1067(8.3526)
17	A	1211.1438	0.0429(2.2530)
18	A	1269.5242	6.7341(0.8283)
19	A	1270.3036	0.0820(1.1901)
20	A	1361.4483	0.0046(24.5223)
21	A	1386.1337	1.1061(6.3489)
22	A	1410.3801	2.8859(18.3073)
23	A	1484.2268	1.5417(0.2433)
24	A	1519.7356	0.0017(3.6090)
25	A	1522.6404	4.2287(2.4381)
26	A	1529.6017	0.9587(0.4285)
27	A	1556.1777	0.0257(0.7704)
28	A	1626.5224	0.0581(41.2741)
29	A	1633.8673	2.8409(2.7528)
30	A	1639.9358	1.6431(14.9439)
31	A	1654.3547	0.3550(5.6735)
32	A	1887.5979	1.8484(23.4503)
33	A	3176.7297	66.9603(41.7848)
34	A	3177.4408	16.0557(169.8251)
35	A	3192.1699	17.4399(147.0746)
36	A	3193.1236	14.7839(32.6586)
37	A	3215.9904	122.6468(11.8399)
38	A	3217.4232	3.0644(228.6330)
39	A	3236.5413	77.1874(136.6063)
40	A	3241.6920	99.5954(52.7241)
41	A	3322.5235	15.6895(73.6478)
42	A	3349.0716	54.2738(171.7860)
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Raman Spectrum
Peak Width (cm-1)

We find comfort among those who agree with us -- growth among those who don't. -- Frank A. Clark