WebMO Job Summary

395586: CHON singlet acyl nitrene or oxazirene (atoms only), Natural Bond Orbitals - Gaussian

Calculated Quantities

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Overview

Quantity Value
Route #N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead)
Method B3LYP
Stoichiometry CHNO
Symmetry CS
Basis 6-311+G(2d,p)
RB3LYP Energy -168.596201034 Hartree
Dipole Moment 3.1196 Debye
Server class (397159)
CPU time 73.1 sec

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 50.3866716 1.68071845223
b 21.0526196 0.70223980084
c 14.8485716 0.49529503507

Partial Charges

Atom Symbol Charge
1 C 0.218874  
2 N -0.101586  
3 O -0.261290  
4 H 0.144001  

Molecular Orbitals

Orbital Symmetry Occupancy Spin Energy () Actions
1 - 2 - -19.19643
2 - 2 - -14.40306
3 - 2 - -10.31228
4 - 2 - -1.13101
5 - 2 - -0.87046
6 - 2 - -0.64124
7 - 2 - -0.50673
8 - 2 - -0.46754
9 - 2 - -0.41893
10 - 2 - -0.37234
11 - 2 - -0.28741
12 - 0 - -0.13162
13 - 0 - -0.04363
14 - 0 - 0.00353
15 - 0 - 0.03583
16 - 0 - 0.03934
17 - 0 - 0.05382
18 - 0 - 0.12215
19 - 0 - 0.14062
20 - 0 - 0.15926
21 - 0 - 0.16036
22 - 0 - 0.18862
23 - 0 - 0.19912
24 - 0 - 0.20964
25 - 0 - 0.24168
26 - 0 - 0.26221
27 - 0 - 0.32801
28 - 0 - 0.36108
29 - 0 - 0.47605
30 - 0 - 0.48715
31 - 0 - 0.55529
32 - 0 - 0.57833
33 - 0 - 0.7064
34 - 0 - 0.71351
35 - 0 - 0.73564
36 - 0 - 0.75408
37 - 0 - 0.7746
38 - 0 - 0.80235
39 - 0 - 0.9714
40 - 0 - 1.0052
41 - 0 - 1.00638
42 - 0 - 1.04975
43 - 0 - 1.07089
44 - 0 - 1.12784
45 - 0 - 1.14344
46 - 0 - 1.20574
47 - 0 - 1.26591
48 - 0 - 1.35122
49 - 0 - 1.44791
50 - 0 - 1.56809
51 - 0 - 1.60076
52 - 0 - 1.76495
53 - 0 - 1.77681
54 - 0 - 1.82384
55 - 0 - 1.97491
56 - 0 - 2.1188
57 - 0 - 2.18816
58 - 0 - 2.38631
59 - 0 - 2.49478
60 - 0 - 2.653
61 - 0 - 2.73655
62 - 0 - 3.15276
63 - 0 - 3.1744
64 - 0 - 3.21778
65 - 0 - 3.23146
66 - 0 - 3.36859
67 - 0 - 3.54514
68 - 0 - 3.73939
69 - 0 - 3.84319
70 - 0 - 4.05842
71 - 0 - 4.50802
72 - 0 - 4.73312
73 - 0 - 4.79609
74 - 0 - 4.92014
75 - 0 - 4.94461
76 - 0 - 4.94789
77 - 0 - 5.11348
78 - 0 - 5.32422
79 - 0 - 5.76313
80 - 0 - 6.71517
81 - 0 - 6.8006
82 - 0 - 6.90661
83 - 0 - 7.08034
84 - 0 - 7.16414
85 - 0 - 24.03843
86 - 0 - 35.44229
87 - 0 - 49.85067
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom Symbol Charge
1 C 0.36494  
2 N -0.12493  
3 O -0.42238  
4 H 0.18238  

Natural Atomic Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 C1 Cor(1S) 1.999493755 - -10.191884837
2 C1 Val(2S) 0.931382342 - -0.248957302
3 C1 Ryd(3S) 0.011290953 - 0.557894873
4 C1 Ryd(4S) 0.000054086 - 10.929428725
5 C1 Ryd(5S) 0.000021981 - 12.340359807
6 C1 Val(2p) 0.834865199 - -0.118596820
7 C1 Ryd(3p) 0.006147220 - 1.041578047
8 C1 Ryd(5p) 0.000342103 - 1.328381483
9 C1 Ryd(4p) 0.000050001 - 1.046981285
10 C1 Val(2p) 1.039447147 - -0.120191788
11 C1 Ryd(5p) 0.004385792 - 1.631035324
12 C1 Ryd(4p) 0.000538573 - 1.390568926
13 C1 Ryd(3p) 0.000099186 - 0.957952843
14 C1 Val(2p) 0.797429636 - -0.175659939
15 C1 Ryd(3p) 0.001269500 - 0.909404725
16 C1 Ryd(5p) 0.000712080 - 1.320191357
17 C1 Ryd(4p) 0.000014180 - 1.010841523
18 C1 Ryd(4d) 0.001238538 - 3.214538374
19 C1 Ryd(3d) 0.000251593 - 2.667665223
20 C1 Ryd(4d) 0.002094673 - 2.423096087
21 C1 Ryd(3d) 0.000312697 - 2.054168254
22 C1 Ryd(4d) 0.000812655 - 2.488179768
23 C1 Ryd(3d) 0.000128512 - 2.228478610
24 C1 Ryd(4d) 0.002005678 - 2.887372994
25 C1 Ryd(3d) 0.000070422 - 2.678173802
26 C1 Ryd(4d) 0.000552502 - 2.650393655
27 C1 Ryd(3d) 0.000053753 - 2.272867679
28 N2 Cor(1S) 1.999666467 - -14.194511437
29 N2 Val(2S) 1.690114995 - -0.706056272
30 N2 Ryd(3S) 0.004806331 - 0.816582637
31 N2 Ryd(4S) 0.000148306 - 1.733830556
32 N2 Ryd(5S) 0.000000889 - 34.615482323
33 N2 Val(2p) 0.882204077 - -0.204262633
34 N2 Ryd(3p) 0.001721693 - 0.680638373
35 N2 Ryd(4p) 0.000166060 - 1.620766184
36 N2 Ryd(5p) 0.000111810 - 3.046657769
37 N2 Val(2p) 1.149541159 - -0.217123666
38 N2 Ryd(3p) 0.001611212 - 0.640873185
39 N2 Ryd(4p) 0.000291690 - 1.640516760
40 N2 Ryd(5p) 0.000063028 - 2.946524175
41 N2 Val(2p) 1.373136186 - -0.238962175
42 N2 Ryd(3p) 0.001087776 - 0.545909367
43 N2 Ryd(4p) 0.000111749 - 1.540912666
44 N2 Ryd(5p) 0.000016940 - 2.652788720
45 N2 Ryd(3d) 0.005746325 - 1.695987112
46 N2 Ryd(4d) 0.000080277 - 4.862712844
47 N2 Ryd(3d) 0.003121567 - 1.164168891
48 N2 Ryd(4d) 0.000008312 - 4.709394393
49 N2 Ryd(3d) 0.003692844 - 1.139857848
50 N2 Ryd(4d) 0.000059341 - 4.664761938
51 N2 Ryd(3d) 0.004789788 - 1.396643731
52 N2 Ryd(4d) 0.000108885 - 4.872818063
53 N2 Ryd(3d) 0.002521487 - 1.385032406
54 N2 Ryd(4d) 0.000004464 - 4.802280698
55 O3 Cor(1S) 1.999853748 - -18.983209213
56 O3 Val(2S) 1.782185950 - -0.971724572
57 O3 Ryd(3S) 0.003360683 - 0.629103220
58 O3 Ryd(4S) 0.000051779 - 1.578104055
59 O3 Ryd(5S) 0.000000573 - 49.644034508
60 O3 Val(2p) 1.245095764 - -0.314347566
61 O3 Ryd(3p) 0.001776381 - 0.667274781
62 O3 Ryd(4p) 0.000171627 - 1.405397337
63 O3 Ryd(5p) 0.000104395 - 4.499635512
64 O3 Val(2p) 1.561174723 - -0.326851779
65 O3 Ryd(3p) 0.001107705 - 0.654353107
66 O3 Ryd(4p) 0.000320198 - 1.289884600
67 O3 Ryd(5p) 0.000071804 - 4.650731217
68 O3 Val(2p) 1.808077613 - -0.329731766
69 O3 Ryd(3p) 0.002500475 - 0.495564156
70 O3 Ryd(4p) 0.000080643 - 1.333809615
71 O3 Ryd(5p) 0.000006737 - 4.339503449
72 O3 Ryd(3d) 0.004104050 - 1.908313538
73 O3 Ryd(4d) 0.000043341 - 6.895517448
74 O3 Ryd(3d) 0.001948636 - 1.524952847
75 O3 Ryd(4d) 0.000012894 - 6.731273441
76 O3 Ryd(3d) 0.003223935 - 1.482998098
77 O3 Ryd(4d) 0.000040737 - 6.727167144
78 O3 Ryd(3d) 0.005086901 - 1.766421623
79 O3 Ryd(4d) 0.000062637 - 6.925640080
80 O3 Ryd(3d) 0.001908723 - 1.708990345
81 O3 Ryd(4d) 0.000006266 - 6.854027659
82 H4 Val(1S) 0.815988214 - -0.072289088
83 H4 Ryd(2S) 0.000566996 - 0.390298605
84 H4 Ryd(3S) 0.000177469 - 2.155766702
85 H4 Ryd(2p) 0.000085643 - 1.948649207
86 H4 Ryd(2p) 0.000704663 - 2.759733778
87 H4 Ryd(2p) 0.000099683 - 1.661243494

Natural Hybrid Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 BD(1)C1(N2) 1s(34.78%)p1.87(65.11%)d0.00(0.10%) 0.874566909 - -0.086144004
2 BD(1)N2(C1) 2s(33.61%)p1.96(65.79%)d0.02(0.60%) 1.111221094 - -0.279869787
3 BD(2)C1(N2) 1s(0.00%)p1.00(99.81%)d0.00(0.19%) 0.799670416 - -0.178923312
4 BD(2)N2(C1) 2s(0.00%)p1.00(99.53%)d0.00(0.47%) 1.379896079 - -0.242454977
5 BD(1)C1(O3) 1s(27.24%)p2.66(72.60%)d0.01(0.16%) 0.717437264 - -0.091795908
6 BD(1)O3(C1) 3s(27.97%)p2.56(71.62%)d0.01(0.41%) 1.283913074 - -0.470167308
7 BD(1)C1(H4) 1s(38.49%)p1.60(61.48%)d0.00(0.03%) 1.227705094 - -0.277468450
8 BD(1)H4(C1) 4s(99.93%)p0.00(0.07%) 0.816589901 - -0.068294839
9 BD(1)N2(O3) 2s(0.09%)p99.99(99.05%)d9.83(0.86%) 0.637958296 - -0.197912565
10 BD(1)O3(N2) 3s(0.30%)p99.99(99.29%)d1.38(0.41%) 1.325385763 - -0.311725728
11 CR(1)C1 s(100.00%) 1.999494470 - -10.191924429
12 CR(1)N2 s(100.00%)p0.00(0.00%) 1.999669453 - -14.195401303
13 CR(1)O3 s(100.00%)p0.00(0.00%) 1.999853647 - -18.983770202
14 LP(1)N2 s(66.56%)p0.50(33.38%)d0.00(0.07%) 1.990553911 - -0.633521853
15 LP(1)O3 s(71.85%)p0.39(28.13%)d0.00(0.02%) 1.993327272 - -0.830155787
16 LP(2)O3 s(0.00%)p1.00(99.72%)d0.00(0.28%) 1.813685943 - -0.332658045
17 RY*(1)C1 s(58.33%)p0.69(40.22%)d0.02(1.46%) 0.007953280 - 1.428200932
18 RY*(2)C1 s(0.00%)p1.00(2.84%)d34.24(97.16%) 0.003103516 - 1.678385139
19 RY*(3)C1 s(0.58%)p99.99(70.68%)d49.51(28.74%) 0.003057478 - 1.787166182
20 RY*(4)C1 s(1.27%)p32.72(41.55%)d45.03(57.18%) 0.002000714 - 2.454913645
21 RY*(5)C1 s(11.61%)p4.56(52.93%)d3.05(35.45%) 0.000050886 - 2.846567139
22 RY*(6)C1 s(81.99%)p0.00(0.24%)d0.22(17.76%) 0.000004015 - 10.668026715
23 RY*(7)C1 s(34.40%)p1.89(64.92%)d0.02(0.69%) 0.000007232 - 1.356139117
24 RY*(8)C1 s(1.90%)p49.97(94.78%)d1.75(3.32%) 0.000002466 - 1.461008942
25 RY*(9)C1 s(1.15%)p83.09(95.89%)d2.56(2.96%) 0.000006372 - 1.052555069
26 RY*(10)C1 s(0.00%)p1.00(97.62%)d0.02(2.38%) -0.000000000 - 0.946738932
27 RY*(11)C1 s(0.00%)p1.00(99.22%)d0.01(0.78%) -0.000000000 - 1.355806418
28 RY*(12)C1 s(0.00%)p1.00(99.51%)d0.00(0.49%) -0.000000000 - 1.019640223
29 RY*(13)C1 s(11.71%)p3.43(40.12%)d4.11(48.17%) 0.000000939 - 3.373816036
30 RY*(14)C1 s(0.12%)p2.84(0.33%)d99.99(99.55%) 0.000000593 - 2.682663987
31 RY*(15)C1 s(94.81%)p0.05(5.13%)d0.00(0.06%) 0.000000141 - 10.403287782
32 RY*(16)C1 s(0.00%)p1.00(0.49%)d99.99(99.51%) -0.000000000 - 2.746476173
33 RY*(17)C1 s(0.00%)p1.00(0.42%)d99.99(99.58%) -0.000000000 - 2.372520034
34 RY*(18)C1 s(0.00%)p1.00(0.10%)d99.99(99.90%) -0.000000000 - 2.318056780
35 RY*(19)C1 s(1.29%)p71.66(92.24%)d5.03(6.47%) 0.000000406 - 0.578737245
36 RY*(20)C1 s(0.03%)p5.24(0.16%)d99.99(99.81%) 0.000000368 - 2.553750249
37 RY*(21)C1 s(0.20%)p7.15(1.42%)d99.99(98.38%) 0.000000923 - 2.593395811
38 RY*(22)C1 s(0.10%)p2.01(0.20%)d99.99(99.70%) 0.000001276 - 2.322666230
39 RY*(1)N2 s(16.55%)p4.66(77.06%)d0.39(6.39%) 0.003134484 - 0.963942855
40 RY*(2)N2 s(0.00%)p1.00(67.41%)d0.48(32.59%) 0.001338635 - 0.758702895
41 RY*(3)N2 s(25.91%)p2.65(68.55%)d0.21(5.55%) 0.000707700 - 0.935807852
42 RY*(4)N2 s(10.16%)p2.35(23.82%)d6.50(66.02%) 0.000413578 - 1.398166916
43 RY*(5)N2 s(13.36%)p1.70(22.67%)d4.79(63.97%) 0.000030491 - 1.308910295
44 RY*(6)N2 s(4.52%)p19.11(86.35%)d2.02(9.13%) 0.000001726 - 2.961908223
45 RY*(7)N2 s(51.38%)p0.42(21.61%)d0.53(27.02%) 0.000004122 - 1.639443810
46 RY*(8)N2 s(1.10%)p70.92(77.69%)d19.37(21.22%) 0.000000859 - 1.611779195
47 RY*(9)N2 s(1.82%)p48.99(89.06%)d5.02(9.12%) 0.000000476 - 2.973274464
48 RY*(10)N2 s(99.97%)p0.00(0.02%)d0.00(0.01%) 0.000000000 - 34.642624687
49 RY*(11)N2 s(0.00%)p1.00(99.99%)d0.00(0.01%) -0.000000000 - 1.549652761
50 RY*(12)N2 s(0.00%)p1.00(100.00%) -0.000000000 - 2.709621708
51 RY*(13)N2 s(72.44%)p0.29(21.13%)d0.09(6.42%) 0.000000123 - 1.207734251
52 RY*(14)N2 s(0.58%)p2.35(1.35%)d99.99(98.07%) 0.000000332 - 4.810859054
53 RY*(15)N2 s(0.00%)p1.00(17.48%)d4.72(82.52%) 0.000000000 - 1.093864760
54 RY*(16)N2 s(0.00%)p1.00(0.65%)d99.99(99.35%) -0.000000000 - 4.636684014
55 RY*(17)N2 s(0.00%)p1.00(12.78%)d6.82(87.22%) -0.000000000 - 1.046926402
56 RY*(18)N2 s(0.00%)p1.00(2.16%)d45.32(97.84%) -0.000000000 - 4.625834084
57 RY*(19)N2 s(0.88%)p13.81(12.21%)d98.25(86.90%) 0.000001767 - 1.276860955
58 RY*(20)N2 s(0.74%)p5.10(3.80%)d99.99(95.45%) 0.000000168 - 4.649707082
59 RY*(21)N2 s(0.32%)p99.99(96.40%)d10.29(3.28%) 0.000000336 - 1.545264873
60 RY*(22)N2 s(0.02%)p3.07(0.05%)d99.99(99.93%) 0.000000028 - 4.815813801
61 RY*(1)O3 s(25.51%)p2.84(72.48%)d0.08(2.00%) 0.003390448 - 0.971139449
62 RY*(2)O3 s(0.00%)p1.00(90.42%)d0.11(9.58%) 0.002205726 - 0.675266101
63 RY*(3)O3 s(0.09%)p99.99(35.02%)d99.99(64.88%) 0.000369172 - 1.529075211
64 RY*(4)O3 s(34.71%)p1.78(61.96%)d0.10(3.33%) 0.000206498 - 1.166930269
65 RY*(5)O3 s(5.17%)p3.76(19.43%)d14.59(75.41%) 0.000032078 - 1.639289342
66 RY*(6)O3 s(4.98%)p18.70(93.15%)d0.38(1.87%) 0.000002762 - 4.525216319
67 RY*(7)O3 s(26.08%)p2.11(54.95%)d0.73(18.96%) 0.000003756 - 1.247932142
68 RY*(8)O3 s(99.92%)p0.00(0.02%)d0.00(0.05%) 0.000000014 - 49.560607320
69 RY*(9)O3 s(1.93%)p48.35(93.20%)d2.53(4.87%) 0.000001299 - 4.750017343
70 RY*(10)O3 s(77.24%)p0.28(21.74%)d0.01(1.01%) 0.000000157 - 1.130454312
71 RY*(11)O3 s(0.00%)p1.00(100.00%)d0.00(0.00%) -0.000000000 - 1.329643555
72 RY*(12)O3 s(0.00%)p1.00(100.00%) 0.000000000 - 4.355108920
73 RY*(13)O3 s(15.49%)p5.37(83.22%)d0.08(1.29%) 0.000000869 - 1.261289260
74 RY*(14)O3 s(0.76%)p0.67(0.51%)d99.99(98.72%) 0.000000055 - 6.787343568
75 RY*(15)O3 s(0.00%)p1.00(7.04%)d13.20(92.96%) 0.000000000 - 1.487415822
76 RY*(16)O3 s(0.00%)p1.00(0.53%)d99.99(99.47%) 0.000000000 - 6.683704454
77 RY*(17)O3 s(0.00%)p1.00(0.98%)d99.99(99.02%) 0.000000000 - 1.466428922
78 RY*(18)O3 s(0.00%)p1.00(1.31%)d75.19(98.69%) -0.000000000 - 6.640627254
79 RY*(19)O3 s(2.76%)p5.65(15.62%)d29.54(81.61%) 0.000000264 - 1.566165427
80 RY*(20)O3 s(0.33%)p3.77(1.23%)d99.99(98.44%) 0.000000026 - 6.800586951
81 RY*(21)O3 s(4.86%)p9.96(48.37%)d9.63(46.77%) 0.000000093 - 1.302623593
82 RY*(22)O3 s(0.04%)p1.21(0.05%)d99.99(99.91%) 0.000000001 - 6.838444417
83 RY*(1)H4 s(98.26%)p0.02(1.74%) 0.000589641 - 0.401715147
84 RY*(2)H4 s(87.41%)p0.14(12.59%) 0.000191767 - 2.334465470
85 RY*(3)H4 s(0.00%)p1.00(100.00%) 0.000099683 - 1.661243494
86 RY*(4)H4 s(11.95%)p7.37(88.05%) 0.000078834 - 2.581808071
87 RY*(5)H4 s(2.45%)p39.79(97.55%) 0.000072842 - 1.932465355

Natural Bond Orbitals

Orbital Description NHOs Occupancy Spin Energy () Actions
1 BD(1)C1-N2 349, 350 1.980247102 - -0.955608434
2 BD(2)C1-N2 351, 352 1.997695189 - -0.385720609
3 BD(1)C1-O3 353, 354 1.977285764 - -0.945621234
4 BD(1)C1-H4 355, 356 1.994731266 - -0.644622542
5 BD(1)N2-O3 357, 358 1.926038859 - -0.392938288
6 CR(1)C1 359 1.999494470 - -10.191924429
7 CR(1)N2 360 1.999669453 - -14.195401303
8 CR(1)O3 361 1.999853647 - -18.983770202
9 LP(1)N2 362 1.990553911 - -0.633521853
10 LP(1)O3 363 1.993327272 - -0.830155787
11 LP(2)O3 364 1.813685943 - -0.332658045
12 RY*(1)C1 365 0.007953280 - 1.428200932
13 RY*(2)C1 366 0.003103516 - 1.678385139
14 RY*(3)C1 367 0.003057478 - 1.787166182
15 RY*(4)C1 368 0.002000714 - 2.454913645
16 RY*(5)C1 369 0.000050886 - 2.846567139
17 RY*(6)C1 370 0.000004015 - 10.668026715
18 RY*(7)C1 371 0.000007232 - 1.356139117
19 RY*(8)C1 372 0.000002466 - 1.461008942
20 RY*(9)C1 373 0.000006372 - 1.052555069
21 RY*(10)C1 374 -0.000000000 - 0.946738932
22 RY*(11)C1 375 -0.000000000 - 1.355806418
23 RY*(12)C1 376 -0.000000000 - 1.019640223
24 RY*(13)C1 377 0.000000939 - 3.373816036
25 RY*(14)C1 378 0.000000593 - 2.682663987
26 RY*(15)C1 379 0.000000141 - 10.403287782
27 RY*(16)C1 380 -0.000000000 - 2.746476173
28 RY*(17)C1 381 -0.000000000 - 2.372520034
29 RY*(18)C1 382 -0.000000000 - 2.318056780
30 RY*(19)C1 383 0.000000406 - 0.578737245
31 RY*(20)C1 384 0.000000368 - 2.553750249
32 RY*(21)C1 385 0.000000923 - 2.593395811
33 RY*(22)C1 386 0.000001276 - 2.322666230
34 RY*(1)N2 387 0.003134484 - 0.963942855
35 RY*(2)N2 388 0.001338635 - 0.758702895
36 RY*(3)N2 389 0.000707700 - 0.935807852
37 RY*(4)N2 390 0.000413578 - 1.398166916
38 RY*(5)N2 391 0.000030491 - 1.308910295
39 RY*(6)N2 392 0.000001726 - 2.961908223
40 RY*(7)N2 393 0.000004122 - 1.639443810
41 RY*(8)N2 394 0.000000859 - 1.611779195
42 RY*(9)N2 395 0.000000476 - 2.973274464
43 RY*(10)N2 396 0.000000000 - 34.642624687
44 RY*(11)N2 397 -0.000000000 - 1.549652761
45 RY*(12)N2 398 -0.000000000 - 2.709621708
46 RY*(13)N2 399 0.000000123 - 1.207734251
47 RY*(14)N2 400 0.000000332 - 4.810859054
48 RY*(15)N2 401 0.000000000 - 1.093864760
49 RY*(16)N2 402 -0.000000000 - 4.636684014
50 RY*(17)N2 403 -0.000000000 - 1.046926402
51 RY*(18)N2 404 -0.000000000 - 4.625834084
52 RY*(19)N2 405 0.000001767 - 1.276860955
53 RY*(20)N2 406 0.000000168 - 4.649707082
54 RY*(21)N2 407 0.000000336 - 1.545264873
55 RY*(22)N2 408 0.000000028 - 4.815813801
56 RY*(1)O3 409 0.003390448 - 0.971139449
57 RY*(2)O3 410 0.002205726 - 0.675266101
58 RY*(3)O3 411 0.000369172 - 1.529075211
59 RY*(4)O3 412 0.000206498 - 1.166930269
60 RY*(5)O3 413 0.000032078 - 1.639289342
61 RY*(6)O3 414 0.000002762 - 4.525216319
62 RY*(7)O3 415 0.000003756 - 1.247932142
63 RY*(8)O3 416 0.000000014 - 49.560607320
64 RY*(9)O3 417 0.000001299 - 4.750017343
65 RY*(10)O3 418 0.000000157 - 1.130454312
66 RY*(11)O3 419 -0.000000000 - 1.329643555
67 RY*(12)O3 420 0.000000000 - 4.355108920
68 RY*(13)O3 421 0.000000869 - 1.261289260
69 RY*(14)O3 422 0.000000055 - 6.787343568
70 RY*(15)O3 423 0.000000000 - 1.487415822
71 RY*(16)O3 424 0.000000000 - 6.683704454
72 RY*(17)O3 425 -0.000000000 - 1.466428922
73 RY*(18)O3 426 -0.000000000 - 6.640627254
74 RY*(19)O3 427 0.000000264 - 1.566165427
75 RY*(20)O3 428 0.000000026 - 6.800586951
76 RY*(21)O3 429 0.000000093 - 1.302623593
77 RY*(22)O3 430 0.000000001 - 6.838444417
78 RY*(1)H4 431 0.000589641 - 0.401715147
79 RY*(2)H4 432 0.000191767 - 2.334465470
80 RY*(3)H4 433 0.000099683 - 1.661243494
81 RY*(4)H4 434 0.000078834 - 2.581808071
82 RY*(5)H4 435 0.000072842 - 1.932465355
83 BD*(1)C1-N2 0.005540899 - 0.589594643
84 BD*(2)C1-N2 0.181871306 - -0.035657681
85 BD*(1)C1-O3 0.024064573 - 0.383658019
86 BD*(1)C1-H4 0.049563729 - 0.298859253
87 BD*(1)N2-O3 0.037305199 - -0.116700005

Quote

TIME IS IN FACT THE HERO OF THE PLOT. THE TIME WITH WHICH WE HAVE TO DEAL IS OF THE ORDER OF TWO BILLION YEARS...GIVEN SO MUCH TIME, THE "IMPOSSIBLE" BECOMES POSSIBLE, THE POSSIBLE PROBABLE, THE PROBABLE VIRTUALLY CERTAIN. ONE HAS ONLY TO WAIT, TIME ITSELF PERFORMS THE MIRACLES. "ORIGIN OF LIFE" LECTURES, GEORGE WALD, 1954