WebMO Job Summary

Quantity	Value
Route	#N B3LYP/6-31G(d) SP GFINPUT POP=(FULL,NBO6Read) Geom=Connectivity
Stoichiometry	C3H7O(1+)
Symmetry	C1
Basis	6-31G(d)
RB3LYP Energy	-193.479327351 Hartree
Dipole Moment	1.6119 Debye
Server	batch (114204)
CPU time	28.5 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	9.7683583	0.32583735979
b	8.3104288	0.27720606634
c	4.7526833	0.15853245047

Atom	Symbol	Charge
1	C	-0.559764
2	C	0.480546
3	C	-0.545029
4	H	0.260883
5	H	0.252550
6	H	0.268987
7	O	-0.415223
8	H	0.483676
9	H	0.230494
10	H	0.266025
11	H	0.276855

Display Range		- / 74
Orbital	Symmetry	Occupancy	Energy	Actions
1	-	2	-19.47935 Hartree
2	-	2	-10.56766 Hartree
3	-	2	-10.41861 Hartree
4	-	2	-10.40519 Hartree
5	-	2	-1.37008 Hartree
6	-	2	-1.03241 Hartree
7	-	2	-0.95064 Hartree
8	-	2	-0.87496 Hartree
9	-	2	-0.74779 Hartree
10	-	2	-0.71117 Hartree
11	-	2	-0.70781 Hartree
12	-	2	-0.63087 Hartree
13	-	2	-0.62069 Hartree
14	-	2	-0.61099 Hartree
15	-	2	-0.60824 Hartree
16	-	2	-0.59685 Hartree
17	-	0	-0.29834 Hartree
18	-	0	-0.15810 Hartree
19	-	0	-0.08456 Hartree
20	-	0	-0.07193 Hartree
21	-	0	-0.04299 Hartree
22	-	0	-0.03763 Hartree
23	-	0	-0.02789 Hartree
24	-	0	-0.00463 Hartree
25	-	0	-0.00241 Hartree
26	-	0	0.06319 Hartree
27	-	0	0.12561 Hartree
28	-	0	0.28277 Hartree
29	-	0	0.30645 Hartree
30	-	0	0.33355 Hartree
31	-	0	0.34505 Hartree
32	-	0	0.36299 Hartree
33	-	0	0.40805 Hartree
34	-	0	0.46064 Hartree
35	-	0	0.48485 Hartree
36	-	0	0.52411 Hartree
37	-	0	0.54272 Hartree
38	-	0	0.59587 Hartree
39	-	0	0.63918 Hartree
40	-	0	0.66169 Hartree
41	-	0	0.69106 Hartree
42	-	0	0.70213 Hartree
43	-	0	0.72006 Hartree
44	-	0	0.72310 Hartree
45	-	0	0.75006 Hartree
46	-	0	0.77352 Hartree
47	-	0	0.90927 Hartree
48	-	0	1.11856 Hartree
49	-	0	1.13246 Hartree
50	-	0	1.13824 Hartree
51	-	0	1.18329 Hartree
52	-	0	1.27639 Hartree
53	-	0	1.46035 Hartree
54	-	0	1.53149 Hartree
55	-	0	1.54465 Hartree
56	-	0	1.60548 Hartree
57	-	0	1.69284 Hartree
58	-	0	1.72367 Hartree
59	-	0	1.84535 Hartree
60	-	0	1.88623 Hartree
61	-	0	1.92184 Hartree
62	-	0	2.00061 Hartree
63	-	0	2.06715 Hartree
64	-	0	2.12095 Hartree
65	-	0	2.17302 Hartree
66	-	0	2.24103 Hartree
67	-	0	2.25662 Hartree
68	-	0	2.47594 Hartree
69	-	0	2.63417 Hartree
70	-	0	2.65771 Hartree
71	-	0	3.63463 Hartree
72	-	0	3.84218 Hartree
73	-	0	4.03894 Hartree
74	-	0	4.21156 Hartree
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	C	-0.79734
2	C	0.70306
3	C	-0.78077
4	H	0.30746
5	H	0.30613
6	H	0.32571
7	O	-0.54436
8	H	0.54842
9	H	0.28555
10	H	0.31685
11	H	0.32929

Display Range		- / 74
Orbital	Description	Occupancy	Energy	Actions
1	C1 Cor(1s)	1.999997101	-10.418588473 Hartree
2	C1 Val(2s)	1.139172156	-0.439483594 Hartree
3	C1 Ryd(3s)	0.000327175	1.071397119 Hartree
4	C1 Ryd(4s)	0.000024683	3.993500711 Hartree
5	C1 Val(2p)	1.130716434	-0.307819368 Hartree
6	C1 Ryd(3p)	0.001728298	0.382363182 Hartree
7	C1 Val(2p)	1.237911954	-0.325891448 Hartree
8	C1 Ryd(3p)	0.002681279	0.409755940 Hartree
9	C1 Val(2p)	1.280361981	-0.336909401 Hartree
10	C1 Ryd(3p)	0.000156381	0.408594912 Hartree
11	C1 Ryd(3d)	0.001305898	1.972008881 Hartree
12	C1 Ryd(3d)	0.000272531	1.591282049 Hartree
13	C1 Ryd(3d)	0.000969834	1.851941345 Hartree
14	C1 Ryd(3d)	0.000423022	1.786575362 Hartree
15	C1 Ryd(3d)	0.001288989	1.856036980 Hartree
16	C2 Cor(1s)	1.999997162	-10.567627879 Hartree
17	C2 Val(2s)	0.909586732	-0.408289974 Hartree
18	C2 Ryd(3s)	0.002243285	0.735546949 Hartree
19	C2 Ryd(4s)	0.000226343	3.843567577 Hartree
20	C2 Val(2p)	1.075295360	-0.302160553 Hartree
21	C2 Ryd(3p)	0.002716636	0.560872708 Hartree
22	C2 Val(2p)	0.739255763	-0.238098071 Hartree
23	C2 Ryd(3p)	0.008455283	0.481639855 Hartree
24	C2 Val(2p)	0.551321588	-0.373435819 Hartree
25	C2 Ryd(3p)	0.000372631	0.368377342 Hartree
26	C2 Ryd(3d)	0.001826647	2.148758231 Hartree
27	C2 Ryd(3d)	0.000637698	1.621462598 Hartree
28	C2 Ryd(3d)	0.002170793	1.762730211 Hartree
29	C2 Ryd(3d)	0.002314543	2.116151971 Hartree
30	C2 Ryd(3d)	0.000523403	1.962597985 Hartree
31	C3 Cor(1s)	1.999997016	-10.405174475 Hartree
32	C3 Val(2s)	1.137509871	-0.425166865 Hartree
33	C3 Ryd(3s)	0.000374940	1.063691327 Hartree
34	C3 Ryd(4s)	0.000025882	4.013332155 Hartree
35	C3 Val(2p)	1.099113982	-0.292750677 Hartree
36	C3 Ryd(3p)	0.001897770	0.367826327 Hartree
37	C3 Val(2p)	1.265206735	-0.311673251 Hartree
38	C3 Ryd(3p)	0.003016197	0.446423455 Hartree
39	C3 Val(2p)	1.269038638	-0.322759082 Hartree
40	C3 Ryd(3p)	0.000328523	0.420229772 Hartree
41	C3 Ryd(3d)	0.001015460	1.956973572 Hartree
42	C3 Ryd(3d)	0.000177817	1.612172086 Hartree
43	C3 Ryd(3d)	0.001051537	1.851362804 Hartree
44	C3 Ryd(3d)	0.000694353	1.830334741 Hartree
45	C3 Ryd(3d)	0.001317251	1.879038128 Hartree
46	H4 Val(1s)	0.691904396	-0.069010943 Hartree
47	H4 Ryd(2s)	0.000636727	0.466006239 Hartree
48	H5 Val(1s)	0.693581780	-0.088378012 Hartree
49	H5 Ryd(2s)	0.000288838	0.467786019 Hartree
50	H6 Val(1s)	0.674026385	-0.100444488 Hartree
51	H6 Ryd(2s)	0.000264868	0.473282558 Hartree
52	O7 Cor(1s)	1.999998569	-19.479318288 Hartree
53	O7 Val(2s)	1.646496591	-1.010111276 Hartree
54	O7 Ryd(3s)	0.000298550	1.594443748 Hartree
55	O7 Ryd(4s)	0.000100091	3.361978224 Hartree
56	O7 Val(2p)	1.697407956	-0.599318028 Hartree
57	O7 Ryd(3p)	0.002039317	1.073886501 Hartree
58	O7 Val(2p)	1.550545025	-0.600445378 Hartree
59	O7 Ryd(3p)	0.001550184	0.839184953 Hartree
60	O7 Val(2p)	1.632925751	-0.586274277 Hartree
61	O7 Ryd(3p)	0.000293036	0.701119894 Hartree
62	O7 Ryd(3d)	0.002314048	1.845076237 Hartree
63	O7 Ryd(3d)	0.001060010	1.458848374 Hartree
64	O7 Ryd(3d)	0.002602930	1.653646518 Hartree
65	O7 Ryd(3d)	0.004513536	2.201910849 Hartree
66	O7 Ryd(3d)	0.002218035	1.844682495 Hartree
67	H8 Val(1s)	0.450306566	-0.095511086 Hartree
68	H8 Ryd(2s)	0.001276647	0.442832244 Hartree
69	H9 Val(1s)	0.713933246	-0.105012034 Hartree
70	H9 Ryd(2s)	0.000514678	0.458092266 Hartree
71	H10 Val(1s)	0.682796431	-0.092859873 Hartree
72	H10 Ryd(2s)	0.000351960	0.457656171 Hartree
73	H11 Val(1s)	0.670424648	-0.106198399 Hartree
74	H11 Ryd(2s)	0.000281647	0.461224478 Hartree

Display Range		- / 74
Orbital	Description	Occupancy	Energy	Actions
1	CR(1)C1 s(100.00%)	1.999997101	-10.418588473 Hartree
2	CR(1)C2 s(100.00%)	1.999997162	-10.567627879 Hartree
3	CR(1)C3 s(100.00%)	1.999997016	-10.405174475 Hartree
4	CR(1)O7 s(100.00%)	1.999998569	-19.479318288 Hartree
5	LP(1)O7 s(38.43%)p1.60(61.45%)d0.00(0.12%)	1.974708067	-0.757935242 Hartree
6	BD(1)C1(C2) 1s(26.69%)p2.74(73.23%)d0.00(0.09%)	0.974782716	-0.308085246 Hartree
7	BD(1)C2(C1) 2s(37.59%)p1.66(62.36%)d0.00(0.05%)	1.041661017	-0.351680472 Hartree
8	BD(1)C1(H9) 1s(25.63%)p2.90(74.29%)d0.00(0.08%)	1.272005614	-0.358807797 Hartree
9	BD(1)H9(C1) 9s(100.00%)	0.713933080	-0.104730284 Hartree
10	BD(1)C1(H10) 1s(24.65%)p3.05(75.28%)d0.00(0.08%)	1.281203160	-0.359517728 Hartree
11	BD(1)H10(C1) 10s(100.00%)	0.682796264	-0.092569423 Hartree
12	BD(1)C1(H11) 1s(23.03%)p3.34(76.89%)d0.00(0.09%)	1.266548042	-0.364147659 Hartree
13	BD(1)H11(C1) 11s(100.00%)	0.670424617	-0.106072767 Hartree
14	BD(1)C2(C3) 2s(36.69%)p1.72(63.26%)d0.00(0.05%)	1.045031537	-0.343023813 Hartree
15	BD(1)C3(C2) 3s(26.60%)p2.76(73.31%)d0.00(0.09%)	0.958162078	-0.292059368 Hartree
16	BD(1)C2(O7) 2s(25.68%)p2.89(74.09%)d0.01(0.23%)	0.642790202	-0.232819389 Hartree
17	BD(1)O7(C2) 7s(39.96%)p1.50(59.83%)d0.01(0.22%)	1.381663494	-0.738205518 Hartree
18	BD(2)C2(O7) 2s(0.00%)p1.00(99.55%)d0.00(0.44%)	0.550726143	-0.367234192 Hartree
19	BD(2)O7(C2) 7s(0.00%)p1.00(99.77%)d0.00(0.22%)	1.636362798	-0.587977824 Hartree
20	BD(1)C3(H4) 3s(26.10%)p2.83(73.83%)d0.00(0.07%)	1.292185138	-0.343499607 Hartree
21	BD(1)H4(C3) 4s(100.00%)	0.691903878	-0.068497526 Hartree
22	BD(1)C3(H5) 3s(24.57%)p3.07(75.35%)d0.00(0.08%)	1.270247611	-0.345283841 Hartree
23	BD(1)H5(C3) 5s(100.00%)	0.693581775	-0.088329184 Hartree
24	BD(1)C3(H6) 3s(22.74%)p3.39(77.18%)d0.00(0.09%)	1.256778136	-0.350856142 Hartree
25	BD(1)H6(C3) 6s(100.00%)	0.674026375	-0.100373901 Hartree
26	BD(1)O7(H8) 7s(21.54%)p3.63(78.23%)d0.01(0.23%)	1.548882537	-0.713336324 Hartree
27	BD(1)H8(O7) 8s(100.00%)	0.450281243	-0.090516823 Hartree
28	RY(1)C1 s(0.12%)p99.99(97.07%)d22.91(2.81%)	0.002245883	0.518730175 Hartree
29	RY(2)C1 s(54.07%)p0.71(38.66%)d0.13(7.26%)	0.000255834	0.902068603 Hartree
30	RY(3)C1 s(5.79%)p6.34(36.73%)d9.93(57.49%)	0.000144602	1.319858131 Hartree
31	RY(4)C1 s(5.71%)p1.22(6.99%)d15.28(87.29%)	0.000104096	1.734987594 Hartree
32	RY(5)C1 s(27.65%)p1.62(44.67%)d1.00(27.68%)	0.000028827	1.108458965 Hartree
33	RY(6)C1 s(16.98%)p0.32(5.36%)d4.57(77.67%)	0.000015066	1.749757745 Hartree
34	RY(7)C1 s(33.99%)p0.72(24.35%)d1.23(41.66%)	0.000003722	2.192000592 Hartree
35	RY(8)C1 s(16.97%)p1.07(18.17%)d3.82(64.86%)	0.000003011	1.835341965 Hartree
36	RY(9)C1 s(33.74%)p0.14(4.63%)d1.83(61.64%)	0.000000005	2.313651672 Hartree
37	RY(10)C1 s(5.00%)p4.74(23.69%)d14.26(71.31%)	0.000000037	1.629055657 Hartree
38	RY(1)C2 s(11.26%)p7.70(86.75%)d0.18(1.99%)	0.008739541	0.529695008 Hartree
39	RY(2)C2 s(0.01%)p1.00(18.27%)d4.47(81.72%)	0.002695787	1.505575545 Hartree
40	RY(3)C2 s(8.20%)p5.54(45.39%)d5.66(46.41%)	0.002013360	1.350074714 Hartree
41	RY(4)C2 s(5.58%)p2.37(13.25%)d14.55(81.17%)	0.001265621	1.855262827 Hartree
42	RY(5)C2 s(0.79%)p49.12(38.81%)d76.44(60.40%)	0.001044031	1.490306672 Hartree
43	RY(6)C2 s(2.63%)p0.17(0.44%)d36.89(96.93%)	0.000644811	1.619130031 Hartree
44	RY(7)C2 s(82.31%)p0.11(8.84%)d0.11(8.85%)	0.000327746	1.896265635 Hartree
45	RY(8)C2 s(76.03%)p0.22(16.85%)d0.09(7.12%)	0.000006608	2.503703560 Hartree
46	RY(9)C2 s(12.27%)p5.75(70.60%)d1.40(17.13%)	0.000000004	0.921422044 Hartree
47	RY(10)C2 s(0.95%)p1.61(1.54%)d99.99(97.51%)	0.000000297	1.903042840 Hartree
48	RY(1)C3 s(0.05%)p99.99(97.20%)d53.47(2.75%)	0.002629032	0.529655716 Hartree
49	RY(2)C3 s(0.28%)p99.99(72.33%)d98.76(27.39%)	0.000334341	0.849236140 Hartree
50	RY(3)C3 s(43.03%)p1.06(45.47%)d0.27(11.50%)	0.000291799	0.939879348 Hartree
51	RY(4)C3 s(20.27%)p1.76(35.65%)d2.17(44.08%)	0.000099163	1.250315314 Hartree
52	RY(5)C3 s(27.88%)p0.34(9.54%)d2.24(62.58%)	0.000021946	1.760015017 Hartree
53	RY(6)C3 s(9.17%)p0.29(2.69%)d9.61(88.14%)	0.000012908	1.792355291 Hartree
54	RY(7)C3 s(0.82%)p10.00(8.17%)d99.99(91.01%)	0.000006342	1.705843075 Hartree
55	RY(8)C3 s(56.38%)p0.09(5.29%)d0.68(38.33%)	0.000000009	2.598205426 Hartree
56	RY(9)C3 s(2.16%)p5.71(12.34%)d39.53(85.50%)	0.000000452	1.594502846 Hartree
57	RY(10)C3 s(39.95%)p0.29(11.66%)d1.21(48.39%)	0.000000002	2.400725276 Hartree
58	RY(1)H4 s(100.00%)	0.000637245	0.465492822 Hartree
59	RY(1)H5 s(100.00%)	0.000288843	0.467737191 Hartree
60	RY(1)H6 s(100.00%)	0.000264878	0.473211971 Hartree
61	RY(1)O7 s(4.74%)p18.50(87.64%)d1.61(7.63%)	0.002196038	0.982179871 Hartree
62	RY(2)O7 s(0.06%)p99.99(90.30%)d99.99(9.64%)	0.000328914	0.741677400 Hartree
63	RY(3)O7 s(41.43%)p0.64(26.35%)d0.78(32.22%)	0.000105591	1.491619387 Hartree
64	RY(4)O7 s(40.02%)p1.00(40.17%)d0.49(19.81%)	0.000069764	1.304010817 Hartree
65	RY(5)O7 s(8.80%)p1.69(14.84%)d8.68(76.36%)	0.000027143	1.828107990 Hartree
66	RY(6)O7 s(1.36%)p0.74(1.01%)d71.64(97.63%)	0.000016077	1.722147653 Hartree
67	RY(7)O7 s(41.27%)p0.18(7.28%)d1.25(51.46%)	0.000004463	2.137894163 Hartree
68	RY(8)O7 s(23.12%)p0.53(12.19%)d2.80(64.68%)	0.000000041	1.919997278 Hartree
69	RY(9)O7 s(14.88%)p0.63(9.41%)d5.09(75.71%)	0.000000003	1.852847563 Hartree
70	RY(10)O7 s(24.39%)p0.47(11.53%)d2.63(64.08%)	0.000000129	2.595601618 Hartree
71	RY(1)H8 s(100.00%)	0.001301969	0.437837981 Hartree
72	RY(1)H9 s(100.00%)	0.000514844	0.457810516 Hartree
73	RY(1)H10 s(100.00%)	0.000352127	0.457365721 Hartree
74	RY(1)H11 s(100.00%)	0.000281678	0.461098846 Hartree

Display Range		- / 74
Orbital	Description	NHOs	Occupancy	Energy	Actions
1	CR(1)C1	2234	1.999997101	-10.418588473 Hartree
2	CR(1)C2	2235	1.999997162	-10.567627879 Hartree
3	CR(1)C3	2236	1.999997016	-10.405174475 Hartree
4	CR(1)O7	2237	1.999998569	-19.479318288 Hartree
5	LP(1)O7	2238	1.974708067	-0.757935242 Hartree
6	BD(1)C1-C2	2239, 2240	1.993281324	-0.839490289 Hartree
7	BD(1)C1-H9	2241, 2242	1.981436394	-0.703323932 Hartree
8	BD(1)C1-H10	2243, 2244	1.959440525	-0.695239565 Hartree
9	BD(1)C1-H11	2245, 2246	1.932823726	-0.693678418 Hartree
10	BD(1)C2-C3	2247, 2248	1.983563406	-0.827434148 Hartree
11	BD(1)C2-O7	2249, 2250	1.997208996	-1.163656016 Hartree
12	BD(2)C2-O7	2251, 2252	1.992300884	-0.670391482 Hartree
13	BD(1)C3-H4	2253, 2254	1.980013591	-0.682725239 Hartree
14	BD(1)C3-H5	2255, 2256	1.959943559	-0.685148493 Hartree
15	BD(1)C3-H6	2257, 2258	1.926822023	-0.681641784 Hartree
16	BD(1)O7-H8	2259, 2260	1.986041453	-0.960332689 Hartree
17	BD*(1)C1-C2		0.023162408	0.179724571 Hartree
18	BD*(1)C1-H9		0.004502300	0.239785851 Hartree
19	BD*(1)C1-H10		0.004558899	0.243152414 Hartree
20	BD*(1)C1-H11		0.004148932	0.223457991 Hartree
21	BD*(1)C2-C3		0.019630209	0.192350967 Hartree
22	BD*(1)C2-O7		0.027244701	0.192631109 Hartree
23	BD*(2)C2-O7		0.194788058	-0.284820533 Hartree
24	BD*(1)C3-H4		0.004075426	0.270728106 Hartree
25	BD*(1)C3-H5		0.003885827	0.251535468 Hartree
26	BD*(1)C3-H6		0.003982488	0.230411741 Hartree
27	BD*(1)O7-H8		0.013122327	0.156479543 Hartree
28	RY(1)C1	2261	0.002245883	0.518730175 Hartree
29	RY(2)C1	2262	0.000255834	0.902068603 Hartree
30	RY(3)C1	2263	0.000144602	1.319858131 Hartree
31	RY(4)C1	2264	0.000104096	1.734987594 Hartree
32	RY(5)C1	2265	0.000028827	1.108458965 Hartree
33	RY(6)C1	2266	0.000015066	1.749757745 Hartree
34	RY(7)C1	2267	0.000003722	2.192000592 Hartree
35	RY(8)C1	2268	0.000003011	1.835341965 Hartree
36	RY(9)C1	2269	0.000000005	2.313651672 Hartree
37	RY(10)C1	2270	0.000000037	1.629055657 Hartree
38	RY(1)C2	2271	0.008739541	0.529695008 Hartree
39	RY(2)C2	2272	0.002695787	1.505575545 Hartree
40	RY(3)C2	2273	0.002013360	1.350074714 Hartree
41	RY(4)C2	2274	0.001265621	1.855262827 Hartree
42	RY(5)C2	2275	0.001044031	1.490306672 Hartree
43	RY(6)C2	2276	0.000644811	1.619130031 Hartree
44	RY(7)C2	2277	0.000327746	1.896265635 Hartree
45	RY(8)C2	2278	0.000006608	2.503703560 Hartree
46	RY(9)C2	2279	0.000000004	0.921422044 Hartree
47	RY(10)C2	2280	0.000000297	1.903042840 Hartree
48	RY(1)C3	2281	0.002629032	0.529655716 Hartree
49	RY(2)C3	2282	0.000334341	0.849236140 Hartree
50	RY(3)C3	2283	0.000291799	0.939879348 Hartree
51	RY(4)C3	2284	0.000099163	1.250315314 Hartree
52	RY(5)C3	2285	0.000021946	1.760015017 Hartree
53	RY(6)C3	2286	0.000012908	1.792355291 Hartree
54	RY(7)C3	2287	0.000006342	1.705843075 Hartree
55	RY(8)C3	2288	0.000000009	2.598205426 Hartree
56	RY(9)C3	2289	0.000000452	1.594502846 Hartree
57	RY(10)C3	2290	0.000000002	2.400725276 Hartree
58	RY(1)H4	2291	0.000637245	0.465492822 Hartree
59	RY(1)H5	2292	0.000288843	0.467737191 Hartree
60	RY(1)H6	2293	0.000264878	0.473211971 Hartree
61	RY(1)O7	2294	0.002196038	0.982179871 Hartree
62	RY(2)O7	2295	0.000328914	0.741677400 Hartree
63	RY(3)O7	2296	0.000105591	1.491619387 Hartree
64	RY(4)O7	2297	0.000069764	1.304010817 Hartree
65	RY(5)O7	2298	0.000027143	1.828107990 Hartree
66	RY(6)O7	2299	0.000016077	1.722147653 Hartree
67	RY(7)O7	2300	0.000004463	2.137894163 Hartree
68	RY(8)O7	2301	0.000000041	1.919997278 Hartree
69	RY(9)O7	2302	0.000000003	1.852847563 Hartree
70	RY(10)O7	2303	0.000000129	2.595601618 Hartree
71	RY(1)H8	2304	0.001301969	0.437837981 Hartree
72	RY(1)H9	2305	0.000514844	0.457810516 Hartree
73	RY(1)H10	2306	0.000352127	0.457365721 Hartree
74	RY(1)H11	2307	0.000281678	0.461098846 Hartree

CHARLIE BROWN -- WHICH DO YOU THINK LASTS LONGER IN LIFE, THE GOOD THINGS OR THE BAD THINGS? LINUS -- GOOD THINGS LAST EIGHT SECONDS .. BAD THINGS LAST THREE WEEKS CHARLIE BROWN -- WHAT ABOUT IN BETWEEN? SNOOPY -- IN BETWEEN YOU SHOULD TAKE A NAP ...