WebMO Job Summary

33167: O2Cl(-1) chlorite, Natural Bond Orbitals - Gaussian

Calculated Quantities

Expand all

Overview

Quantity Value
Route #N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity
Method B3LYP
Stoichiometry ClO2(1-)
Symmetry C2V
Basis 6-311+G(2d,p)
RB3LYP Energy -610.608606537 Hartree
Dipole Moment 2.6498 Debye
Server class (33604)
CPU time 3.9 sec

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 40.7120820 1.35800887960
b 8.5930891 0.28663459906
c 7.0954535 0.23667885267

Partial Charges

Atom Symbol Charge
1 Cl 0.246964  
2 O -0.623482  
3 O -0.623482  

Molecular Orbitals

Orbital Symmetry Occupancy Spin Energy () Actions
1 A1 2 - -101.45804
2 A1 2 - -18.8967
3 B2 2 - -18.8967
4 A1 2 - -9.35787
5 B2 2 - -7.12359
6 A1 2 - -7.11842
7 B1 2 - -7.10903
8 A1 2 - -0.8468
9 B2 2 - -0.72823
10 A1 2 - -0.49572
11 B2 2 - -0.24644
12 A1 2 - -0.24031
13 B1 2 - -0.22634
14 A2 2 - -0.08226
15 A1 2 - -0.07727
16 B2 2 - -0.06998
17 B1 2 - 0.00346
18 A1 0 - 0.1777
19 A1 0 - 0.17925
20 B2 0 - 0.18662
21 B1 0 - 0.2139
22 A1 0 - 0.24524
23 B2 0 - 0.26625
24 B2 0 - 0.33037
25 A1 0 - 0.35138
26 A2 0 - 0.36878
27 A1 0 - 0.37335
28 B1 0 - 0.38121
29 B2 0 - 0.42631
30 A1 0 - 0.45716
31 B2 0 - 0.51194
32 A1 0 - 0.59088
33 B1 0 - 0.59962
34 B2 0 - 0.64019
35 A2 0 - 0.67476
36 B1 0 - 0.67659
37 A1 0 - 0.69404
38 A1 0 - 0.80307
39 B2 0 - 0.96447
40 A1 0 - 1.21162
41 B2 0 - 1.25435
42 A2 0 - 1.26956
43 A1 0 - 1.26965
44 B1 0 - 1.30651
45 A1 0 - 1.3237
46 B2 0 - 1.33006
47 B2 0 - 1.66745
48 A2 0 - 1.7126
49 A1 0 - 1.71334
50 B1 0 - 1.71424
51 B2 0 - 1.74416
52 A1 0 - 1.75174
53 B2 0 - 1.78372
54 B1 0 - 1.87544
55 A2 0 - 1.91366
56 A1 0 - 2.00891
57 B2 0 - 2.32062
58 A1 0 - 2.36768
59 B1 0 - 2.45036
60 A1 0 - 2.57948
61 B1 0 - 2.5912
62 A2 0 - 2.65358
63 A1 0 - 2.69667
64 B2 0 - 2.8624
65 A1 0 - 2.8842
66 B2 0 - 3.03739
67 A1 0 - 5.15571
68 A2 0 - 5.18757
69 A1 0 - 5.18951
70 B1 0 - 5.21988
71 B2 0 - 5.23888
72 B2 0 - 5.39804
73 A2 0 - 6.94969
74 B1 0 - 6.95433
75 A1 0 - 6.96646
76 B2 0 - 6.96983
77 B2 0 - 6.99483
78 A2 0 - 7.06471
79 B1 0 - 7.0727
80 A1 0 - 7.18378
81 A1 0 - 7.3645
82 B2 0 - 7.40428
83 A1 0 - 9.95817
84 B1 0 - 25.97103
85 A1 0 - 26.30309
86 B2 0 - 27.20965
87 B2 0 - 50.06603
88 A1 0 - 50.10442
89 A1 0 - 215.89977
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom Symbol Charge
1 Cl 0.84875  
2 O -0.92437  
3 O -0.92437  

Natural Atomic Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 Cl1 Cor(1S) 1.999999931 - -100.285482698
2 Cl1 Cor(2S) 1.999743965 - -10.325506815
3 Cl1 Val(3S) 1.752057904 - -0.694616688
4 Cl1 Ryd(4S) 0.041598613 - 0.728480275
5 Cl1 Ryd(5S) 0.000296995 - 0.986055168
6 Cl1 Ryd(6S) 0.000000204 - 15.552651768
7 Cl1 Ryd(7S) 0.000000002 - 209.424321015
8 Cl1 Cor(2p) 1.999991058 - -7.104596164
9 Cl1 Val(3p) 1.989747862 - -0.152204749
10 Cl1 Ryd(4p) 0.015012073 - 0.540327389
11 Cl1 Ryd(6p) 0.000135861 - 4.949431645
12 Cl1 Ryd(5p) 0.000021725 - 1.040016091
13 Cl1 Ryd(7p) 0.000001665 - 22.624730824
14 Cl1 Cor(2p) 1.999967169 - -7.115968007
15 Cl1 Val(3p) 0.915899054 - -0.053501964
16 Cl1 Ryd(4p) 0.014058456 - 0.830621877
17 Cl1 Ryd(6p) 0.000830509 - 5.921120886
18 Cl1 Ryd(5p) 0.000402033 - 1.348887318
19 Cl1 Ryd(7p) 0.000001054 - 22.086332453
20 Cl1 Cor(2p) 1.999965136 - -7.112878138
21 Cl1 Val(3p) 1.314055989 - -0.115548833
22 Cl1 Ryd(4p) 0.002790664 - 0.755895383
23 Cl1 Ryd(6p) 0.000243234 - 5.193587812
24 Cl1 Ryd(5p) 0.000200859 - 1.097847369
25 Cl1 Ryd(7p) 0.000005277 - 22.469808217
26 Cl1 Ryd(3d) 0.020866461 - 0.709362742
27 Cl1 Ryd(4d) 0.000025754 - 2.597991563
28 Cl1 Ryd(3d) 0.013366624 - 0.673964336
29 Cl1 Ryd(4d) 0.000119207 - 2.539054692
30 Cl1 Ryd(3d) 0.029033895 - 0.967197483
31 Cl1 Ryd(4d) 0.000365030 - 3.025045086
32 Cl1 Ryd(3d) 0.022795037 - 0.826130505
33 Cl1 Ryd(4d) 0.000297524 - 2.704210377
34 Cl1 Ryd(3d) 0.017325185 - 0.700668974
35 Cl1 Ryd(4d) 0.000032612 - 2.652301171
36 O2 Cor(1S) 1.999936293 - -18.786133988
37 O2 Val(2S) 1.908628839 - -0.699738241
38 O2 Ryd(3S) 0.006227262 - 0.558308772
39 O2 Ryd(4S) 0.001618465 - 2.125795385
40 O2 Ryd(5S) 0.000000195 - 49.783335166
41 O2 Val(2p) 1.977249460 - -0.069042806
42 O2 Ryd(3p) 0.001671447 - 0.461197627
43 O2 Ryd(4p) 0.000082936 - 1.413249418
44 O2 Ryd(5p) 0.000000408 - 4.991460120
45 O2 Val(2p) 1.343120361 - -0.065310815
46 O2 Ryd(3p) 0.002903441 - 0.720768034
47 O2 Ryd(4p) 0.000065609 - 1.425226905
48 O2 Ryd(5p) 0.000044955 - 5.065766309
49 O2 Val(2p) 1.675808145 - -0.065849831
50 O2 Ryd(3p) 0.001464123 - 0.579199788
51 O2 Ryd(4p) 0.000094674 - 1.431203391
52 O2 Ryd(5p) 0.000017271 - 5.015791087
53 O2 Ryd(3d) 0.000896780 - 1.976134865
54 O2 Ryd(4d) 0.000004635 - 6.940921883
55 O2 Ryd(3d) 0.000449940 - 1.907880902
56 O2 Ryd(4d) 0.000000250 - 6.873035128
57 O2 Ryd(3d) 0.001734101 - 2.273181828
58 O2 Ryd(4d) 0.000003999 - 7.169625539
59 O2 Ryd(3d) 0.001203575 - 2.121260461
60 O2 Ryd(4d) 0.000003794 - 7.058825028
61 O2 Ryd(3d) 0.001135017 - 1.987904622
62 O2 Ryd(4d) 0.000006718 - 6.945148763
63 O3 Cor(1S) 1.999936293 - -18.786133988
64 O3 Val(2S) 1.908628839 - -0.699738241
65 O3 Ryd(3S) 0.006227262 - 0.558308772
66 O3 Ryd(4S) 0.001618465 - 2.125795385
67 O3 Ryd(5S) 0.000000195 - 49.783335166
68 O3 Val(2p) 1.977249460 - -0.069042806
69 O3 Ryd(3p) 0.001671447 - 0.461197627
70 O3 Ryd(4p) 0.000082936 - 1.413249418
71 O3 Ryd(5p) 0.000000408 - 4.991460120
72 O3 Val(2p) 1.343120361 - -0.065310815
73 O3 Ryd(3p) 0.002903441 - 0.720768034
74 O3 Ryd(4p) 0.000065609 - 1.425226905
75 O3 Ryd(5p) 0.000044955 - 5.065766309
76 O3 Val(2p) 1.675808145 - -0.065849831
77 O3 Ryd(3p) 0.001464123 - 0.579199788
78 O3 Ryd(4p) 0.000094674 - 1.431203391
79 O3 Ryd(5p) 0.000017271 - 5.015791087
80 O3 Ryd(3d) 0.000896780 - 1.976134865
81 O3 Ryd(4d) 0.000004635 - 6.940921883
82 O3 Ryd(3d) 0.000449940 - 1.907880902
83 O3 Ryd(4d) 0.000000250 - 6.873035128
84 O3 Ryd(3d) 0.001734101 - 2.273181828
85 O3 Ryd(4d) 0.000003999 - 7.169625539
86 O3 Ryd(3d) 0.001203575 - 2.121260461
87 O3 Ryd(4d) 0.000003794 - 7.058825028
88 O3 Ryd(3d) 0.001135017 - 1.987904622
89 O3 Ryd(4d) 0.000006718 - 6.945148763

Natural Hybrid Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 BD(1)Cl1(O2) 1s(14.76%)p5.70(84.17%)d0.07(1.06%) 1.013168997 - -0.110167669
2 BD(1)O2(Cl1) 2s(9.97%)p9.01(89.80%)d0.02(0.23%) 1.104971306 - -0.126250316
3 BD(1)Cl1(O3) 1s(14.76%)p5.70(84.17%)d0.07(1.06%) 1.013168997 - -0.110167669
4 BD(1)O3(Cl1) 3s(9.97%)p9.01(89.80%)d0.02(0.23%) 1.104971306 - -0.126250316
5 CR(1)Cl1 s(100.00%) 1.999999931 - -100.285484427
6 CR(2)Cl1 s(100.00%) 1.999743971 - -10.325387184
7 CR(3)Cl1 s(0.00%)p1.00(100.00%) 1.999991054 - -7.104588787
8 CR(4)Cl1 s(0.00%)p1.00(100.00%) 1.999967202 - -7.115965694
9 CR(5)Cl1 s(0.00%)p1.00(100.00%) 1.999965134 - -7.112870538
10 CR(1)O2 s(100.00%)p0.00(0.00%) 1.999936118 - -18.786120011
11 CR(1)O3 s(100.00%)p0.00(0.00%) 1.999936118 - -18.786120011
12 LP(1)Cl1 s(73.11%)p0.37(26.82%)d0.00(0.07%) 1.997643994 - -0.600425826
13 LP(2)Cl1 s(0.00%)p1.00(99.96%)d0.00(0.04%) 1.997312259 - -0.153712358
14 LP(1)O2 s(89.19%)p0.12(10.81%)d0.00(0.00%) 1.997386034 - -0.628469014
15 LP(2)O2 s(0.00%)p1.00(99.94%)d0.00(0.06%) 1.978997240 - -0.069703106
16 LP(3)O2 s(1.15%)p85.93(98.77%)d0.07(0.08%) 1.837110453 - -0.072558938
17 LP(1)O3 s(89.19%)p0.12(10.81%)d0.00(0.00%) 1.997386034 - -0.628469014
18 LP(2)O3 s(0.00%)p1.00(99.94%)d0.00(0.06%) 1.978997240 - -0.069703106
19 LP(3)O3 s(1.15%)p85.93(98.77%)d0.07(0.08%) 1.837110453 - -0.072558938
20 RY*(1)Cl1 s(27.56%)p0.09(2.39%)d2.54(70.05%) 0.052332253 - 0.632130859
21 RY*(2)Cl1 s(0.00%)p1.00(22.70%)d3.41(77.30%) 0.032933667 - 0.697341422
22 RY*(3)Cl1 s(0.00%)p1.00(40.20%)d1.49(59.80%) 0.021090108 - 0.574215474
23 RY*(4)Cl1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.020892215 - 0.698467707
24 RY*(5)Cl1 s(44.28%)p0.41(17.95%)d0.85(37.77%) 0.002179520 - 1.273386069
25 RY*(6)Cl1 s(0.00%)p1.00(88.46%)d0.13(11.54%) 0.000796200 - 5.270144945
26 RY*(7)Cl1 s(18.75%)p3.27(61.40%)d1.06(19.85%) 0.000035812 - 1.130233856
27 RY*(8)Cl1 s(0.00%)p1.00(92.68%)d0.08(7.32%) 0.000013808 - 0.650826381
28 RY*(9)Cl1 s(90.43%)p0.05(4.41%)d0.06(5.16%) 0.000003876 - 1.006367451
29 RY*(10)Cl1 s(0.00%)p1.00(93.09%)d0.07(6.91%) 0.000004275 - 2.693825043
30 RY*(11)Cl1 s(99.99%)p0.00(0.01%)d0.00(0.00%) 0.000000101 - 15.570801914
31 RY*(12)Cl1 s(0.00%)p1.00(99.96%)d0.00(0.04%) 0.000000015 - 21.768797928
32 RY*(13)Cl1 s(100.00%) 0.000000002 - 209.424914175
33 RY*(14)Cl1 s(6.56%)p14.02(92.03%)d0.21(1.41%) 0.000001199 - 4.537886278
34 RY*(15)Cl1 s(6.36%)p14.21(90.35%)d0.52(3.29%) 0.000002155 - 0.982108162
35 RY*(16)Cl1 s(0.00%)p1.00(99.96%)d0.00(0.03%) 0.000000012 - 22.438607164
36 RY*(17)Cl1 s(0.00%)p1.00(60.15%)d0.66(39.85%) 0.000000945 - 0.653904763
37 RY*(18)Cl1 s(0.00%)p0.00(0.00%)d1.00(100.00%) -0.000000000 - 2.608886598
38 RY*(19)Cl1 s(0.00%)p1.00(99.66%)d0.00(0.34%) 0.000000163 - 4.914911655
39 RY*(20)Cl1 s(0.00%)p1.00(0.10%)d99.99(99.90%) 0.000001449 - 2.549876553
40 RY*(21)Cl1 s(0.00%)p1.00(99.95%)d0.00(0.05%) 0.000000073 - 1.037843066
41 RY*(22)Cl1 s(0.00%)p1.00(4.64%)d20.57(95.36%) 0.000000099 - 3.065394488
42 RY*(23)Cl1 s(0.00%)p1.00(100.00%)d0.00(0.00%) 0.000000026 - 22.638273697
43 RY*(24)Cl1 s(0.14%)p1.40(0.19%)d99.99(99.67%) 0.000001045 - 2.683840444
44 RY*(25)Cl1 s(3.24%)p10.57(34.20%)d19.34(62.56%) 0.000002244 - 0.742659214
45 RY*(26)Cl1 s(0.04%)p9.87(0.43%)d99.99(99.53%) 0.000001823 - 2.658863211
46 RY*(1)O2 s(83.46%)p0.16(13.01%)d0.04(3.53%) 0.003489766 - 0.869447170
47 RY*(2)O2 s(0.00%)p1.00(81.76%)d0.22(18.24%) 0.001346023 - 0.834866389
48 RY*(3)O2 s(14.13%)p5.02(70.95%)d1.06(14.92%) 0.000930324 - 0.774899367
49 RY*(4)O2 s(23.93%)p2.47(59.18%)d0.71(16.89%) 0.000128026 - 1.195810957
50 RY*(5)O2 s(6.00%)p12.66(75.88%)d3.02(18.12%) 0.000050721 - 1.730270665
51 RY*(6)O2 s(0.00%)p1.00(10.46%)d8.56(89.54%) 0.000012231 - 1.890249649
52 RY*(7)O2 s(99.97%)p0.00(0.02%)d0.00(0.01%) 0.000000012 - 49.807524473
53 RY*(8)O2 s(44.16%)p1.17(51.80%)d0.09(4.03%) 0.000004859 - 1.499047327
54 RY*(9)O2 s(0.63%)p99.99(98.72%)d1.04(0.66%) 0.000003186 - 5.163846318
55 RY*(10)O2 s(0.00%)p1.00(97.09%)d0.03(2.91%) 0.000000335 - 1.370619057
56 RY*(11)O2 s(12.83%)p6.79(87.16%)d0.00(0.00%) 0.000001205 - 1.481342477
57 RY*(12)O2 s(0.02%)p99.99(99.91%)d3.56(0.07%) 0.000000996 - 4.940529543
58 RY*(13)O2 s(0.00%)p1.00(12.62%)d6.92(87.38%) 0.000000016 - 1.865212668
59 RY*(14)O2 s(0.00%)p1.00(0.15%)d99.99(99.85%) 0.000000007 - 6.728276955
60 RY*(15)O2 s(0.00%)p1.00(97.91%)d0.02(2.09%) 0.000000002 - 4.912378131
61 RY*(16)O2 s(0.00%)p1.00(0.05%)d99.99(99.95%) 0.000000000 - 6.962937393
62 RY*(17)O2 s(2.79%)p4.57(12.77%)d30.24(84.44%) 0.000001884 - 2.188934249
63 RY*(18)O2 s(0.07%)p7.67(0.54%)d99.99(99.39%) 0.000000167 - 7.137596829
64 RY*(19)O2 s(1.45%)p8.03(11.65%)d59.93(86.90%) 0.000001468 - 2.009472643
65 RY*(20)O2 s(0.00%)p1.00(0.26%)d99.99(99.74%) 0.000000038 - 7.033813042
66 RY*(21)O2 s(7.60%)p1.79(13.61%)d10.37(78.79%) 0.000000209 - 1.860103570
67 RY*(22)O2 s(2.65%)p1.94(5.15%)d34.75(92.20%) 0.000000062 - 6.565067853
68 RY*(1)O3 s(83.46%)p0.16(13.01%)d0.04(3.53%) 0.003489766 - 0.869447170
69 RY*(2)O3 s(0.00%)p1.00(81.76%)d0.22(18.24%) 0.001346023 - 0.834866389
70 RY*(3)O3 s(14.13%)p5.02(70.95%)d1.06(14.92%) 0.000930324 - 0.774899367
71 RY*(4)O3 s(23.93%)p2.47(59.18%)d0.71(16.89%) 0.000128026 - 1.195810957
72 RY*(5)O3 s(6.00%)p12.66(75.88%)d3.02(18.12%) 0.000050721 - 1.730270665
73 RY*(6)O3 s(0.00%)p1.00(10.46%)d8.56(89.54%) 0.000012231 - 1.890249649
74 RY*(7)O3 s(99.97%)p0.00(0.02%)d0.00(0.01%) 0.000000012 - 49.807524473
75 RY*(8)O3 s(44.16%)p1.17(51.80%)d0.09(4.03%) 0.000004859 - 1.499047327
76 RY*(9)O3 s(0.63%)p99.99(98.72%)d1.04(0.66%) 0.000003186 - 5.163846318
77 RY*(10)O3 s(0.00%)p1.00(97.09%)d0.03(2.91%) 0.000000335 - 1.370619057
78 RY*(11)O3 s(12.83%)p6.79(87.16%)d0.00(0.00%) 0.000001205 - 1.481342477
79 RY*(12)O3 s(0.02%)p99.99(99.91%)d3.56(0.07%) 0.000000996 - 4.940529543
80 RY*(13)O3 s(0.00%)p1.00(12.62%)d6.92(87.38%) 0.000000016 - 1.865212668
81 RY*(14)O3 s(0.00%)p1.00(0.15%)d99.99(99.85%) 0.000000007 - 6.728276955
82 RY*(15)O3 s(0.00%)p1.00(97.91%)d0.02(2.09%) 0.000000002 - 4.912378131
83 RY*(16)O3 s(0.00%)p1.00(0.05%)d99.99(99.95%) 0.000000000 - 6.962937393
84 RY*(17)O3 s(2.79%)p4.57(12.77%)d30.24(84.44%) 0.000001884 - 2.188934249
85 RY*(18)O3 s(0.07%)p7.67(0.54%)d99.99(99.39%) 0.000000167 - 7.137596829
86 RY*(19)O3 s(1.45%)p8.03(11.65%)d59.93(86.90%) 0.000001468 - 2.009472643
87 RY*(20)O3 s(0.00%)p1.00(0.26%)d99.99(99.74%) 0.000000038 - 7.033813042
88 RY*(21)O3 s(7.60%)p1.79(13.61%)d10.37(78.79%) 0.000000209 - 1.860103570
89 RY*(22)O3 s(2.65%)p1.94(5.15%)d34.75(92.20%) 0.000000062 - 6.565067853

Natural Bond Orbitals

Orbital Description NHOs Occupancy Spin Energy () Actions
1 BD(1)Cl1-O2 63, 64 1.994429845 - -0.534734669
2 BD(1)Cl1-O3 65, 66 1.994429845 - -0.534734669
3 CR(1)Cl1 67 1.999999931 - -100.285484427
4 CR(2)Cl1 68 1.999743971 - -10.325387184
5 CR(3)Cl1 69 1.999991053 - -7.104588783
6 CR(4)Cl1 70 1.999967202 - -7.115965694
7 CR(5)Cl1 71 1.999965134 - -7.112870538
8 CR(1)O2 72 1.999936118 - -18.786120011
9 CR(1)O3 73 1.999936117 - -18.786120001
10 LP(1)Cl1 74 1.997643994 - -0.600425826
11 LP(2)Cl1 75 1.997312258 - -0.153712358
12 LP(1)O2 76 1.997386034 - -0.628469014
13 LP(2)O2 77 1.978997240 - -0.069703106
14 LP(3)O2 78 1.837110453 - -0.072558938
15 LP(1)O3 79 1.997386034 - -0.628469014
16 LP(2)O3 80 1.978997240 - -0.069703106
17 LP(3)O3 81 1.837110452 - -0.072558938
18 RY*(1)Cl1 82 0.052332253 - 0.632130859
19 RY*(2)Cl1 83 0.032933667 - 0.697341422
20 RY*(3)Cl1 84 0.021090108 - 0.574215474
21 RY*(4)Cl1 85 0.020892215 - 0.698467707
22 RY*(5)Cl1 86 0.002179520 - 1.273386069
23 RY*(6)Cl1 87 0.000796200 - 5.270144945
24 RY*(7)Cl1 88 0.000035812 - 1.130233856
25 RY*(8)Cl1 89 0.000013808 - 0.650826381
26 RY*(9)Cl1 90 0.000003876 - 1.006367451
27 RY*(10)Cl1 91 0.000004275 - 2.693825043
28 RY*(11)Cl1 92 0.000000101 - 15.570801914
29 RY*(12)Cl1 93 0.000000015 - 21.768797928
30 RY*(13)Cl1 94 0.000000002 - 209.424914175
31 RY*(14)Cl1 95 0.000001199 - 4.537886278
32 RY*(15)Cl1 96 0.000002155 - 0.982108162
33 RY*(16)Cl1 97 0.000000012 - 22.438607164
34 RY*(17)Cl1 98 0.000000945 - 0.653904763
35 RY*(18)Cl1 99 -0.000000000 - 2.608886598
36 RY*(19)Cl1 100 0.000000163 - 4.914911655
37 RY*(20)Cl1 101 0.000001449 - 2.549876553
38 RY*(21)Cl1 102 0.000000073 - 1.037843066
39 RY*(22)Cl1 103 0.000000099 - 3.065394488
40 RY*(23)Cl1 104 0.000000026 - 22.638273697
41 RY*(24)Cl1 105 0.000001045 - 2.683840444
42 RY*(25)Cl1 106 0.000002244 - 0.742659214
43 RY*(26)Cl1 107 0.000001823 - 2.658863211
44 RY*(1)O2 108 0.003489766 - 0.869447170
45 RY*(2)O2 109 0.001346023 - 0.834866389
46 RY*(3)O2 110 0.000930324 - 0.774899367
47 RY*(4)O2 111 0.000128026 - 1.195810957
48 RY*(5)O2 112 0.000050721 - 1.730270665
49 RY*(6)O2 113 0.000012231 - 1.890249649
50 RY*(7)O2 114 0.000000012 - 49.807524473
51 RY*(8)O2 115 0.000004859 - 1.499047327
52 RY*(9)O2 116 0.000003186 - 5.163846318
53 RY*(10)O2 117 0.000000335 - 1.370619057
54 RY*(11)O2 118 0.000001205 - 1.481342477
55 RY*(12)O2 119 0.000000996 - 4.940529543
56 RY*(13)O2 120 0.000000016 - 1.865212668
57 RY*(14)O2 121 0.000000007 - 6.728276955
58 RY*(15)O2 122 0.000000002 - 4.912378131
59 RY*(16)O2 123 0.000000000 - 6.962937393
60 RY*(17)O2 124 0.000001884 - 2.188934249
61 RY*(18)O2 125 0.000000167 - 7.137596829
62 RY*(19)O2 126 0.000001468 - 2.009472643
63 RY*(20)O2 127 0.000000038 - 7.033813042
64 RY*(21)O2 128 0.000000209 - 1.860103570
65 RY*(22)O2 129 0.000000062 - 6.565067853
66 RY*(1)O3 130 0.003489766 - 0.869447170
67 RY*(2)O3 131 0.001346023 - 0.834866389
68 RY*(3)O3 132 0.000930324 - 0.774899367
69 RY*(4)O3 133 0.000128026 - 1.195810957
70 RY*(5)O3 134 0.000050721 - 1.730270665
71 RY*(6)O3 135 0.000012231 - 1.890249649
72 RY*(7)O3 136 0.000000012 - 49.807524473
73 RY*(8)O3 137 0.000004859 - 1.499047327
74 RY*(9)O3 138 0.000003186 - 5.163846318
75 RY*(10)O3 139 0.000000335 - 1.370619057
76 RY*(11)O3 140 0.000001205 - 1.481342477
77 RY*(12)O3 141 0.000000996 - 4.940529543
78 RY*(13)O3 142 0.000000016 - 1.865212668
79 RY*(14)O3 143 0.000000007 - 6.728276955
80 RY*(15)O3 144 0.000000002 - 4.912378131
81 RY*(16)O3 145 0.000000000 - 6.962937393
82 RY*(17)O3 146 0.000001884 - 2.188934249
83 RY*(18)O3 147 0.000000167 - 7.137596829
84 RY*(19)O3 148 0.000001468 - 2.009472643
85 RY*(20)O3 149 0.000000038 - 7.033813042
86 RY*(21)O3 150 0.000000209 - 1.860103570
87 RY*(22)O3 151 0.000000062 - 6.565067853
88 BD*(1)Cl1-O2 0.123710457 - 0.298316684
89 BD*(1)Cl1-O3 0.123710457 - 0.298316684

Quote

BREAD HAS TO MOLD IN ORDER TO GET PENICILLIN. -- JERRY BOATZ