WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Stoichiometry	C3H8O
Symmetry	C1
Basis	6-31G(d)
RB3LYP Energy	-194.353317417 Hartree
Dipole Moment	1.5589 Debye
Server	batch (203340)
CPU time	8.5 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	8.6535890	0.28865265850
b	7.9880909	0.26645403134
c	4.7458606	0.15830486970

Atom	Symbol	Charge
1	C	-0.438591
2	C	0.146058
3	C	-0.455254
4	H	0.131371
5	H	0.154512
6	H	0.142329
7	O	-0.621322
8	H	0.384673
9	H	0.109961
10	H	0.138083
11	H	0.151522
12	H	0.156657

Display Range		- / 76
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-19.13524 Hartree
2	-	2	-10.23288 Hartree
3	-	2	-10.17578 Hartree
4	-	2	-10.16962 Hartree
5	-	2	-1.00839 Hartree
6	-	2	-0.76577 Hartree
7	-	2	-0.68706 Hartree
8	-	2	-0.58104 Hartree
9	-	2	-0.50600 Hartree
10	-	2	-0.44778 Hartree
11	-	2	-0.42897 Hartree
12	-	2	-0.38768 Hartree
13	-	2	-0.37779 Hartree
14	-	2	-0.36159 Hartree
15	-	2	-0.35161 Hartree
16	-	2	-0.31752 Hartree
17	-	2	-0.26070 Hartree
18	-	0	0.07205 Hartree
19	-	0	0.12041 Hartree
20	-	0	0.14463 Hartree
21	-	0	0.14637 Hartree
22	-	0	0.15952 Hartree
23	-	0	0.17371 Hartree
24	-	0	0.19464 Hartree
25	-	0	0.19533 Hartree
26	-	0	0.22751 Hartree
27	-	0	0.24149 Hartree
28	-	0	0.26542 Hartree
29	-	0	0.50883 Hartree
30	-	0	0.53043 Hartree
31	-	0	0.56674 Hartree
32	-	0	0.58158 Hartree
33	-	0	0.58521 Hartree
34	-	0	0.65007 Hartree
35	-	0	0.70558 Hartree
36	-	0	0.71818 Hartree
37	-	0	0.76612 Hartree
38	-	0	0.81634 Hartree
39	-	0	0.86524 Hartree
40	-	0	0.88633 Hartree
41	-	0	0.89511 Hartree
42	-	0	0.91125 Hartree
43	-	0	0.91412 Hartree
44	-	0	0.93055 Hartree
45	-	0	0.96812 Hartree
46	-	0	0.98783 Hartree
47	-	0	1.03832 Hartree
48	-	0	1.04183 Hartree
49	-	0	1.17275 Hartree
50	-	0	1.36336 Hartree
51	-	0	1.41211 Hartree
52	-	0	1.42086 Hartree
53	-	0	1.50604 Hartree
54	-	0	1.69464 Hartree
55	-	0	1.74962 Hartree
56	-	0	1.76788 Hartree
57	-	0	1.81881 Hartree
58	-	0	1.85577 Hartree
59	-	0	1.95420 Hartree
60	-	0	1.98977 Hartree
61	-	0	2.05632 Hartree
62	-	0	2.12245 Hartree
63	-	0	2.18377 Hartree
64	-	0	2.23472 Hartree
65	-	0	2.25103 Hartree
66	-	0	2.27768 Hartree
67	-	0	2.40905 Hartree
68	-	0	2.51116 Hartree
69	-	0	2.53814 Hartree
70	-	0	2.56664 Hartree
71	-	0	2.71041 Hartree
72	-	0	2.87196 Hartree
73	-	0	3.74276 Hartree
74	-	0	4.17403 Hartree
75	-	0	4.28942 Hartree
76	-	0	4.50580 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	C	-0.69318
2	C	0.09891
3	C	-0.70461
4	H	0.22281
5	H	0.23274
6	H	0.23279
7	O	-0.75876
8	H	0.46662
9	H	0.20121
10	H	0.22932
11	H	0.23151
12	H	0.24064

Display Range		- / 76
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1S)	1.999397981	-10.038509355 Hartree
2	C1 Val(2S)	1.108206659	-0.252351899 Hartree
3	C1 Ryd(3S)	0.000578317	1.262056527 Hartree
4	C1 Ryd(4S)	0.000016096	4.242478941 Hartree
5	C1 Val(2p)	1.129061385	-0.071211199 Hartree
6	C1 Ryd(3p)	0.001577322	0.604881677 Hartree
7	C1 Val(2p)	1.215245080	-0.071807310 Hartree
8	C1 Ryd(3p)	0.002274888	0.674884190 Hartree
9	C1 Val(2p)	1.232264824	-0.073946145 Hartree
10	C1 Ryd(3p)	0.001301904	0.647831358 Hartree
11	C1 Ryd(3d)	0.000674397	2.120697973 Hartree
12	C1 Ryd(3d)	0.000336153	1.956984457 Hartree
13	C1 Ryd(3d)	0.000438139	1.972905086 Hartree
14	C1 Ryd(3d)	0.000718838	2.086951918 Hartree
15	C1 Ryd(3d)	0.001084740	2.208593377 Hartree
16	C2 Cor(1S)	1.999184852	-10.110095226 Hartree
17	C2 Val(2S)	0.957252051	-0.218838535 Hartree
18	C2 Ryd(3S)	0.002238713	1.302980496 Hartree
19	C2 Ryd(4S)	0.000053805	4.330413570 Hartree
20	C2 Val(2p)	1.032080021	-0.070406781 Hartree
21	C2 Ryd(3p)	0.002390632	0.653467622 Hartree
22	C2 Val(2p)	0.764251533	-0.051805906 Hartree
23	C2 Ryd(3p)	0.003805613	0.658484296 Hartree
24	C2 Val(2p)	1.130150557	-0.070963681 Hartree
25	C2 Ryd(3p)	0.002720902	0.801306227 Hartree
26	C2 Ryd(3d)	0.001385031	2.213564300 Hartree
27	C2 Ryd(3d)	0.000522653	2.030086757 Hartree
28	C2 Ryd(3d)	0.001452868	2.063070565 Hartree
29	C2 Ryd(3d)	0.001658591	2.177962640 Hartree
30	C2 Ryd(3d)	0.001937220	2.237311941 Hartree
31	C3 Cor(1S)	1.999406751	-10.045081616 Hartree
32	C3 Val(2S)	1.113184567	-0.260934257 Hartree
33	C3 Ryd(3S)	0.000422469	1.253635110 Hartree
34	C3 Ryd(4S)	0.000014777	4.221177327 Hartree
35	C3 Val(2p)	1.149551088	-0.078305282 Hartree
36	C3 Ryd(3p)	0.001609798	0.623035548 Hartree
37	C3 Val(2p)	1.200309147	-0.081115684 Hartree
38	C3 Ryd(3p)	0.001819120	0.630011417 Hartree
39	C3 Val(2p)	1.234012213	-0.081051546 Hartree
40	C3 Ryd(3p)	0.000980688	0.643382817 Hartree
41	C3 Ryd(3d)	0.000578379	2.118299293 Hartree
42	C3 Ryd(3d)	0.000346472	1.946449303 Hartree
43	C3 Ryd(3d)	0.000444862	1.962032355 Hartree
44	C3 Ryd(3d)	0.000827764	2.072431758 Hartree
45	C3 Ryd(3d)	0.001098019	2.201438812 Hartree
46	H4 Val(1S)	0.776061826	0.075074489 Hartree
47	H4 Ryd(2S)	0.001127000	0.651239710 Hartree
48	H5 Val(1S)	0.765406470	0.089227235 Hartree
49	H5 Ryd(2S)	0.001851426	0.660749613 Hartree
50	H6 Val(1S)	0.766003612	0.082240133 Hartree
51	H6 Ryd(2S)	0.001210377	0.652187364 Hartree
52	O7 Cor(1S)	1.999825132	-18.943784602 Hartree
53	O7 Val(2S)	1.689814319	-0.867400422 Hartree
54	O7 Ryd(3S)	0.001514178	1.448780409 Hartree
55	O7 Ryd(4S)	0.000013460	3.649015462 Hartree
56	O7 Val(2p)	1.673751739	-0.270317649 Hartree
57	O7 Ryd(3p)	0.001450566	1.174483530 Hartree
58	O7 Val(2p)	1.512997927	-0.265394276 Hartree
59	O7 Ryd(3p)	0.001998516	1.097570862 Hartree
60	O7 Val(2p)	1.869638485	-0.278560192 Hartree
61	O7 Ryd(3p)	0.001670089	1.052032909 Hartree
62	O7 Ryd(3d)	0.001356944	2.116356837 Hartree
63	O7 Ryd(3d)	0.001432894	1.988893844 Hartree
64	O7 Ryd(3d)	0.000768942	2.169689876 Hartree
65	O7 Ryd(3d)	0.001117208	2.332092270 Hartree
66	O7 Ryd(3d)	0.001411357	2.051963314 Hartree
67	H8 Val(1S)	0.531785887	0.140436787 Hartree
68	H8 Ryd(2S)	0.001599029	0.631688985 Hartree
69	H9 Val(1S)	0.796236987	0.081222183 Hartree
70	H9 Ryd(2S)	0.002555691	0.637765832 Hartree
71	H10 Val(1S)	0.769940975	0.085649752 Hartree
72	H10 Ryd(2S)	0.000740564	0.658950171 Hartree
73	H11 Val(1S)	0.766852976	0.093533517 Hartree
74	H11 Ryd(2S)	0.001639401	0.668209769 Hartree
75	H12 Val(1S)	0.758183668	0.101110237 Hartree
76	H12 Ryd(2S)	0.001174475	0.657524708 Hartree

Display Range		- / 76
Orbital	Description	Occupancy	Energy	Actions
1	BD(1)C1(C2) 1s(28.13%)p2.55(71.82%)d0.00(0.04%)	0.999826116	-0.095684199 Hartree
2	BD(1)C2(C1) 2s(27.96%)p2.57(71.99%)d0.00(0.05%)	1.003371116	-0.099629755 Hartree
3	BD(1)C1(H10) 1s(23.76%)p3.21(76.17%)d0.00(0.06%)	1.220619949	-0.118688249 Hartree
4	BD(1)H10(C1) 10s(100.00%)	0.769940959	0.085566542 Hartree
5	BD(1)C1(H11) 1s(23.90%)p3.18(76.03%)d0.00(0.06%)	1.231900660	-0.120302103 Hartree
6	BD(1)H11(C1) 11s(100.00%)	0.766849374	0.094791049 Hartree
7	BD(1)C1(H12) 1s(24.18%)p3.13(75.76%)d0.00(0.06%)	1.236217536	-0.118417114 Hartree
8	BD(1)H12(C1) 12s(100.00%)	0.758183065	0.101630924 Hartree
9	BD(1)C2(C3) 2s(28.22%)p2.54(71.73%)d0.00(0.05%)	0.995985992	-0.102136938 Hartree
10	BD(1)C3(C2) 3s(28.44%)p2.51(71.52%)d0.00(0.04%)	1.020747196	-0.106001959 Hartree
11	BD(1)C2(O7) 2s(19.79%)p4.04(79.97%)d0.01(0.24%)	0.673338703	-0.062403211 Hartree
12	BD(1)O7(C2) 7s(30.57%)p2.27(69.35%)d0.00(0.08%)	1.349099773	-0.425400087 Hartree
13	BD(1)C2(H9) 2s(24.12%)p3.14(75.80%)d0.00(0.08%)	1.216780032	-0.124156626 Hartree
14	BD(1)H9(C2) 9s(100.00%)	0.796204002	0.084894159 Hartree
15	BD(1)C3(H4) 3s(23.57%)p3.24(76.37%)d0.00(0.07%)	1.218922340	-0.126357729 Hartree
16	BD(1)H4(C3) 4s(100.00%)	0.776061528	0.075430869 Hartree
17	BD(1)C3(H5) 3s(23.96%)p3.17(75.97%)d0.00(0.06%)	1.233787453	-0.126859090 Hartree
18	BD(1)H5(C3) 5s(100.00%)	0.765402500	0.090550538 Hartree
19	BD(1)C3(H6) 3s(24.00%)p3.16(75.93%)d0.00(0.06%)	1.227312159	-0.126866692 Hartree
20	BD(1)H6(C3) 6s(100.00%)	0.766002649	0.082889580 Hartree
21	BD(1)O7(H8) 7s(19.67%)p4.08(80.22%)d0.01(0.11%)	1.464470674	-0.391898371 Hartree
22	BD(1)H8(O7) 8s(100.00%)	0.531778932	0.142809639 Hartree
23	CR(1)C1 s(100.00%)p0.00(0.00%)	1.999398310	-10.038263097 Hartree
24	CR(1)C2 s(100.00%)p0.00(0.00%)	1.999186369	-10.110093227 Hartree
25	CR(1)C3 s(100.00%)p0.00(0.00%)	1.999407016	-10.044918760 Hartree
26	CR(1)O7 s(100.00%)p0.00(0.00%)	1.999825734	-18.943942527 Hartree
27	LP(1)O7 s(49.71%)p1.01(50.23%)d0.00(0.06%)	1.981690876	-0.585203930 Hartree
28	LP(2)O7 s(0.06%)p99.99(99.85%)d1.63(0.09%)	1.959911963	-0.278639285 Hartree
29	RY*(1)C1 s(0.68%)p99.99(93.38%)d8.73(5.94%)	0.002426103	0.809111990 Hartree
30	RY*(2)C1 s(7.64%)p10.62(81.13%)d1.47(11.22%)	0.001899448	0.905269860 Hartree
31	RY*(3)C1 s(48.70%)p0.86(41.92%)d0.19(9.38%)	0.000565772	1.066914915 Hartree
32	RY*(4)C1 s(27.55%)p1.91(52.51%)d0.72(19.94%)	0.000199341	1.119042706 Hartree
33	RY*(5)C1 s(8.16%)p1.07(8.75%)d10.18(83.08%)	0.000068120	2.107472755 Hartree
34	RY*(6)C1 s(12.90%)p1.15(14.82%)d5.60(72.28%)	0.000033521	1.899898936 Hartree
35	RY*(7)C1 s(1.13%)p1.49(1.68%)d86.18(97.19%)	0.000004882	2.019315344 Hartree
36	RY*(8)C1 s(0.42%)p1.79(0.75%)d99.99(98.83%)	0.000004467	1.893570050 Hartree
37	RY*(9)C1 s(1.93%)p1.28(2.47%)d49.47(95.60%)	0.000011724	2.100137893 Hartree
38	RY*(10)C1 s(90.90%)p0.03(2.79%)d0.07(6.31%)	0.000000775	3.841059910 Hartree
39	RY*(1)C2 s(5.38%)p16.25(87.46%)d1.33(7.16%)	0.004911293	0.811567903 Hartree
40	RY*(2)C2 s(3.25%)p17.57(57.13%)d12.18(39.61%)	0.002278165	1.244353100 Hartree
41	RY*(3)C2 s(20.49%)p1.83(37.55%)d2.05(41.97%)	0.002105427	1.505326871 Hartree
42	RY*(4)C2 s(9.83%)p5.58(54.81%)d3.60(35.37%)	0.001151696	1.213199730 Hartree
43	RY*(5)C2 s(5.25%)p5.34(28.02%)d12.70(66.72%)	0.000951373	1.725534865 Hartree
44	RY*(6)C2 s(0.05%)p89.03(4.58%)d99.99(95.36%)	0.000614651	2.183096124 Hartree
45	RY*(7)C2 s(1.54%)p1.04(1.60%)d62.96(96.86%)	0.000208446	2.069214583 Hartree
46	RY*(8)C2 s(31.56%)p0.62(19.60%)d1.55(48.84%)	0.000133472	1.730508137 Hartree
47	RY*(9)C2 s(52.30%)p0.07(3.42%)d0.85(44.28%)	0.000065871	2.439177330 Hartree
48	RY*(10)C2 s(70.25%)p0.09(6.35%)d0.33(23.40%)	0.000002436	3.522979398 Hartree
49	RY*(1)C3 s(4.91%)p18.15(89.16%)d1.21(5.93%)	0.002267277	0.831649877 Hartree
50	RY*(2)C3 s(0.42%)p99.99(84.67%)d35.92(14.92%)	0.001346816	0.894417621 Hartree
51	RY*(3)C3 s(43.07%)p1.22(52.53%)d0.10(4.40%)	0.000447641	0.921825765 Hartree
52	RY*(4)C3 s(0.92%)p9.32(8.62%)d97.85(90.46%)	0.000216909	1.943263546 Hartree
53	RY*(5)C3 s(51.97%)p0.79(41.08%)d0.13(6.96%)	0.000117664	1.256291163 Hartree
54	RY*(6)C3 s(0.89%)p0.32(0.29%)d99.99(98.82%)	0.000011846	2.136646976 Hartree
55	RY*(7)C3 s(0.36%)p20.47(7.31%)d99.99(92.34%)	0.000007463	1.924316573 Hartree
56	RY*(8)C3 s(0.36%)p10.47(3.78%)d99.99(95.86%)	0.000003850	1.850717068 Hartree
57	RY*(9)C3 s(95.57%)p0.02(2.27%)d0.02(2.16%)	0.000000257	3.935147285 Hartree
58	RY*(10)C3 s(1.56%)p6.76(10.52%)d56.54(87.93%)	0.000010227	1.962133712 Hartree
59	RY*(1)H4 s(100.00%)	0.001127298	0.650883329 Hartree
60	RY*(1)H5 s(100.00%)	0.001855397	0.659426311 Hartree
61	RY*(1)H6 s(100.00%)	0.001211339	0.651537917 Hartree
62	RY*(1)O7 s(4.93%)p17.76(87.60%)d1.51(7.47%)	0.001817245	1.084150113 Hartree
63	RY*(2)O7 s(18.63%)p3.58(66.67%)d0.79(14.70%)	0.001505846	1.255102872 Hartree
64	RY*(3)O7 s(53.80%)p0.77(41.36%)d0.09(4.85%)	0.000368890	1.564445449 Hartree
65	RY*(4)O7 s(17.36%)p4.23(73.39%)d0.53(9.25%)	0.000023161	1.222723821 Hartree
66	RY*(5)O7 s(12.15%)p0.06(0.69%)d7.17(87.16%)	0.000016136	2.412918417 Hartree
67	RY*(6)O7 s(0.60%)p28.58(17.11%)d99.99(82.29%)	0.000007344	1.932686064 Hartree
68	RY*(7)O7 s(0.53%)p1.45(0.76%)d99.99(98.71%)	0.000006929	1.971037961 Hartree
69	RY*(8)O7 s(4.47%)p1.45(6.50%)d19.91(89.03%)	0.000006336	2.068523102 Hartree
70	RY*(9)O7 s(87.48%)p0.00(0.43%)d0.14(12.08%)	0.000000976	3.587257457 Hartree
71	RY*(10)O7 s(0.04%)p99.99(5.85%)d99.99(94.11%)	0.000009871	1.981661118 Hartree
72	RY*(1)H8 s(100.00%)	0.001605984	0.629316133 Hartree
73	RY*(1)H9 s(100.00%)	0.002588676	0.634093856 Hartree
74	RY*(1)H10 s(100.00%)	0.000740580	0.659033381 Hartree
75	RY*(1)H11 s(100.00%)	0.001643003	0.666952236 Hartree
76	RY*(1)H12 s(100.00%)	0.001175078	0.657004022 Hartree

Display Range		- / 76
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	BD(1)C1-C2	407, 408	1.984437479	-0.593809065 Hartree
2	BD(1)C1-H10	409, 410	1.986019041	-0.489439150 Hartree
3	BD(1)C1-H11	411, 412	1.989752748	-0.484628347 Hartree
4	BD(1)C1-H12	413, 414	1.988605693	-0.484419755 Hartree
5	BD(1)C2-C3	415, 416	1.990497769	-0.597620926 Hartree
6	BD(1)C2-O7	417, 418	1.993269096	-0.792318353 Hartree
7	BD(1)C2-H9	419, 420	1.980196786	-0.491468243 Hartree
8	BD(1)C3-H4	421, 422	1.988884045	-0.495263950 Hartree
9	BD(1)C3-H5	423, 424	1.990217850	-0.490877621 Hartree
10	BD(1)C3-H6	425, 426	1.985964514	-0.494716610 Hartree
11	BD(1)O7-H8	427, 428	1.989484764	-0.688496654 Hartree
12	CR(1)C1	429	1.999398310	-10.038263097 Hartree
13	CR(1)C2	430	1.999186369	-10.110093227 Hartree
14	CR(1)C3	431	1.999407016	-10.044918760 Hartree
15	CR(1)O7	432	1.999825734	-18.943942527 Hartree
16	LP(1)O7	433	1.981690876	-0.585203930 Hartree
17	LP(2)O7	434	1.959911963	-0.278639285 Hartree
18	RY*(1)C1	435	0.002426103	0.809111990 Hartree
19	RY*(2)C1	436	0.001899448	0.905269860 Hartree
20	RY*(3)C1	437	0.000565772	1.066914915 Hartree
21	RY*(4)C1	438	0.000199341	1.119042706 Hartree
22	RY*(5)C1	439	0.000068120	2.107472755 Hartree
23	RY*(6)C1	440	0.000033521	1.899898936 Hartree
24	RY*(7)C1	441	0.000004882	2.019315344 Hartree
25	RY*(8)C1	442	0.000004467	1.893570050 Hartree
26	RY*(9)C1	443	0.000011724	2.100137893 Hartree
27	RY*(10)C1	444	0.000000775	3.841059910 Hartree
28	RY*(1)C2	445	0.004911293	0.811567903 Hartree
29	RY*(2)C2	446	0.002278165	1.244353100 Hartree
30	RY*(3)C2	447	0.002105427	1.505326871 Hartree
31	RY*(4)C2	448	0.001151696	1.213199730 Hartree
32	RY*(5)C2	449	0.000951373	1.725534865 Hartree
33	RY*(6)C2	450	0.000614651	2.183096124 Hartree
34	RY*(7)C2	451	0.000208446	2.069214583 Hartree
35	RY*(8)C2	452	0.000133472	1.730508137 Hartree
36	RY*(9)C2	453	0.000065871	2.439177330 Hartree
37	RY*(10)C2	454	0.000002436	3.522979398 Hartree
38	RY*(1)C3	455	0.002267277	0.831649877 Hartree
39	RY*(2)C3	456	0.001346816	0.894417621 Hartree
40	RY*(3)C3	457	0.000447641	0.921825765 Hartree
41	RY*(4)C3	458	0.000216909	1.943263546 Hartree
42	RY*(5)C3	459	0.000117664	1.256291163 Hartree
43	RY*(6)C3	460	0.000011846	2.136646976 Hartree
44	RY*(7)C3	461	0.000007463	1.924316573 Hartree
45	RY*(8)C3	462	0.000003850	1.850717068 Hartree
46	RY*(9)C3	463	0.000000257	3.935147285 Hartree
47	RY*(10)C3	464	0.000010227	1.962133712 Hartree
48	RY*(1)H4	465	0.001127298	0.650883329 Hartree
49	RY*(1)H5	466	0.001855397	0.659426311 Hartree
50	RY*(1)H6	467	0.001211339	0.651537917 Hartree
51	RY*(1)O7	468	0.001817245	1.084150113 Hartree
52	RY*(2)O7	469	0.001505846	1.255102872 Hartree
53	RY*(3)O7	470	0.000368890	1.564445449 Hartree
54	RY*(4)O7	471	0.000023161	1.222723821 Hartree
55	RY*(5)O7	472	0.000016136	2.412918417 Hartree
56	RY*(6)O7	473	0.000007344	1.932686064 Hartree
57	RY*(7)O7	474	0.000006929	1.971037961 Hartree
58	RY*(8)O7	475	0.000006336	2.068523102 Hartree
59	RY*(9)O7	476	0.000000976	3.587257457 Hartree
60	RY*(10)O7	477	0.000009871	1.981661118 Hartree
61	RY*(1)H8	478	0.001605984	0.629316133 Hartree
62	RY*(1)H9	479	0.002588676	0.634093856 Hartree
63	RY*(1)H10	480	0.000740580	0.659033381 Hartree
64	RY*(1)H11	481	0.001643003	0.666952236 Hartree
65	RY*(1)H12	482	0.001175078	0.657004022 Hartree
66	BD*(1)C1-C2		0.018759751	0.398495111 Hartree
67	BD*(1)C1-H10		0.004541866	0.456317443 Hartree
68	BD*(1)C1-H11		0.008997286	0.459117293 Hartree
69	BD*(1)C1-H12		0.005794908	0.467633565 Hartree
70	BD*(1)C2-C3		0.026235418	0.389482029 Hartree
71	BD*(1)C2-O7		0.029169380	0.304515055 Hartree
72	BD*(1)C2-H9		0.032787249	0.452205777 Hartree
73	BD*(1)C3-H4		0.006099822	0.444337091 Hartree
74	BD*(1)C3-H5		0.008972102	0.454569069 Hartree
75	BD*(1)C3-H6		0.007350294	0.450739499 Hartree
76	BD*(1)O7-H8		0.006764842	0.439407922 Hartree

IN THE LONG RUN, DIGGING FOR TRUTH HAS ALWAYS PROVED NOT ONLY MORE INTERESTING BUT MORE PROFITABLE THAN DIGGING FOR GOLD. -- GEORGE R. HARRISON