WebMO Job Summary

33559: As (quartet), 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) Geom=Connectivity
Method B3LYP
Stoichiometry As(4)
Symmetry OH
Basis 6-311+G(2d,p)
UB3LYP Energy -2235.81124097 Hartree
Dipole Moment 0.0000 Debye
Server class (34164)
CPU time 2.5 sec

Partial Charges

Atom Symbol Charge
1 As 0.000000  

Molecular Orbitals

Orbital Symmetry Occupancy Spin Energy () Actions
1 A1G 1 α -425.85252
2 A1G 1 α -53.84584
3 T1U 1 α -48.13497
4 T1U 1 α -48.13497
5 T1U 1 α -48.13497
6 A1G 1 α -7.00934
7 T1U 1 α -5.06743
8 T1U 1 α -5.06743
9 T1U 1 α -5.06743
10 T2G 1 α -1.65138
11 T2G 1 α -1.65138
12 T2G 1 α -1.65138
13 EG 1 α -1.65138
14 EG 1 α -1.65138
15 A1G 1 α -0.60005
16 T1U 1 α -0.24771
17 T1U 1 α -0.24771
18 T1U 1 α -0.24771
19 A1G 0 α -0.00029
20 T1U 0 α 0.03595
21 T1U 0 α 0.03595
22 T1U 0 α 0.03595
23 T2G 0 α 0.17382
24 T2G 0 α 0.17382
25 T2G 0 α 0.17382
26 EG 0 α 0.17382
27 EG 0 α 0.17382
28 T1U 0 α 0.3155
29 T1U 0 α 0.3155
30 T1U 0 α 0.3155
31 A1G 0 α 0.36438
32 T2G 0 α 1.05924
33 T2G 0 α 1.05924
34 T2G 0 α 1.05924
35 EG 0 α 1.05924
36 EG 0 α 1.05924
37 T1U 0 α 1.49529
38 T1U 0 α 1.49529
39 T1U 0 α 1.49529
40 T2G 0 α 3.74618
41 T2G 0 α 3.74618
42 T2G 0 α 3.74618
43 EG 0 α 3.74618
44 EG 0 α 3.74618
45 T1U 0 α 5.99474
46 T1U 0 α 5.99474
47 T1U 0 α 5.99474
48 A1G 0 α 6.03729
49 A1G 0 α 47.6091
50 T1U 0 α 243.00369
51 T1U 0 α 243.00369
52 T1U 0 α 243.00369
53 A1G 0 α 900.88767
54 A1G 1 β -425.84729
55 A1G 1 β -53.84326
56 T1U 1 β -48.12991
57 T1U 1 β -48.12991
58 T1U 1 β -48.12991
59 A1G 1 β -7.00168
60 T1U 1 β -5.05796
61 T1U 1 β -5.05796
62 T1U 1 β -5.05796
63 T2G 1 β -1.64193
64 T2G 1 β -1.64193
65 T2G 1 β -1.64193
66 EG 1 β -1.64193
67 EG 1 β -1.64193
68 A1G 1 β -0.49932
69 T1U 0 β -0.11963
70 T1U 0 β -0.11963
71 T1U 0 β -0.11963
72 A1G 0 β 0.00865
73 T1U 0 β 0.04501
74 T1U 0 β 0.04501
75 T1U 0 β 0.04501
76 T2G 0 β 0.21979
77 T2G 0 β 0.21979
78 T2G 0 β 0.21979
79 EG 0 β 0.21979
80 EG 0 β 0.21979
81 T1U 0 β 0.34564
82 T1U 0 β 0.34564
83 T1U 0 β 0.34564
84 A1G 0 β 0.39742
85 T2G 0 β 1.12293
86 T2G 0 β 1.12293
87 T2G 0 β 1.12293
88 EG 0 β 1.12293
89 EG 0 β 1.12293
90 T1U 0 β 1.53893
91 T1U 0 β 1.53893
92 T1U 0 β 1.53893
93 T2G 0 β 3.77836
94 T2G 0 β 3.77836
95 T2G 0 β 3.77836
96 EG 0 β 3.77836
97 EG 0 β 3.77836
98 T1U 0 β 6.02327
99 T1U 0 β 6.02327
100 T1U 0 β 6.02327
101 A1G 0 β 6.05789
102 A1G 0 β 47.61594
103 T1U 0 β 243.01055
104 T1U 0 β 243.01055
105 T1U 0 β 243.01055
106 A1G 0 β 900.89187
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom Symbol Charge
1 As -1.50000  

Natural Population Analysis

Atom Symbol Charge
1 As 1.50000  

Natural Atomic Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 As1 Cor(1S) 1.000000000 - -422.861183887
2 As1 Cor(2S) 1.000000000 - -56.770413556
3 As1 Cor(3S) 0.999999954 - -7.074073715
4 As1 Val(4S) 0.999965494 - -0.602024016
5 As1 Ryd(5S) 0.000034506 - 0.664307854
6 As1 Ryd(6S) 0.000000046 - 5.007104299
7 As1 Ryd(7S) 0.000000000 - 29.810623164
8 As1 Ryd(9S) 0.000000000 - 593.633253413
9 As1 Ryd(8S) 0.000000000 - 325.782803827
10 As1 Cor(2p) 1.000000000 - -48.128012084
11 As1 Val(3p) 0.999999850 - -5.074378281
12 As1 Cor(4p) 1.000000000 - -0.247711730
13 As1 Ryd(7p) 0.000000150 - 4.290386618
14 As1 Ryd(5p) 0.000000000 - 0.433099310
15 As1 Ryd(8p) 0.000000000 - 94.313085229
16 As1 Ryd(9p) 0.000000000 - 149.383943696
17 As1 Ryd(6p) -0.000000000 - 2.424651648
18 As1 Cor(2p) 1.000000000 - -48.128012084
19 As1 Val(3p) 0.999999850 - -5.074378281
20 As1 Cor(4p) 1.000000000 - -0.247711730
21 As1 Ryd(7p) 0.000000150 - 4.290386618
22 As1 Ryd(5p) -0.000000000 - 0.433099310
23 As1 Ryd(8p) -0.000000000 - 94.313085229
24 As1 Ryd(9p) 0.000000000 - 149.383943696
25 As1 Ryd(6p) 0.000000000 - 2.424651648
26 As1 Cor(2p) 1.000000000 - -48.128012084
27 As1 Val(3p) 0.999999850 - -5.074378281
28 As1 Cor(4p) 1.000000000 - -0.247711730
29 As1 Ryd(7p) 0.000000150 - 4.290386618
30 As1 Ryd(5p) -0.000000000 - 0.433099310
31 As1 Ryd(8p) -0.000000000 - 94.313085229
32 As1 Ryd(9p) 0.000000000 - 149.383943696
33 As1 Ryd(6p) 0.000000000 - 2.424651648
34 As1 Cor(3d) 0.999987328 - -1.651354300
35 As1 Ryd(4d) 0.000012672 - 0.693774526
36 As1 Ryd(6d) 0.000000000 - 3.256386782
37 As1 Ryd(5d) -0.000000000 - 1.029054503
38 As1 Cor(3d) 0.999987328 - -1.651354300
39 As1 Ryd(4d) 0.000012672 - 0.693774526
40 As1 Ryd(6d) -0.000000000 - 3.256386782
41 As1 Ryd(5d) -0.000000000 - 1.029054503
42 As1 Cor(3d) 0.999987328 - -1.651354300
43 As1 Ryd(4d) 0.000012672 - 0.693774526
44 As1 Ryd(6d) -0.000000000 - 3.256386782
45 As1 Ryd(5d) -0.000000000 - 1.029054503
46 As1 Cor(3d) 0.999987328 - -1.651354299
47 As1 Ryd(4d) 0.000012672 - 0.693774526
48 As1 Ryd(6d) 0.000000000 - 3.256386782
49 As1 Ryd(5d) 0.000000000 - 1.029054503
50 As1 Cor(3d) 0.999987328 - -1.651354299
51 As1 Ryd(4d) 0.000012672 - 0.693774526
52 As1 Ryd(6d) 0.000000000 - 3.256386782
53 As1 Ryd(5d) -0.000000000 - 1.029054503

Natural Hybrid Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 CR(1)As1 s(100.00%) 1.000000000 α -422.861183887
2 CR(2)As1 s(100.00%) 1.000000000 α -56.770413556
3 CR(3)As1 s(100.00%) 0.999999954 α -7.074073715
4 CR(4)As1 s(0.00%)p1.00(100.00%) 1.000000000 α -48.128012084
5 CR(5)As1 s(0.00%)p1.00(100.00%) 1.000000000 α -0.247711730
6 CR(6)As1 s(0.00%)p1.00(100.00%) 1.000000000 α -48.128012084
7 CR(7)As1 s(0.00%)p1.00(100.00%) 1.000000000 α -0.247711730
8 CR(8)As1 s(0.00%)p1.00(100.00%) 1.000000000 α -48.128012084
9 CR(9)As1 s(0.00%)p1.00(100.00%) 1.000000000 α -0.247711730
10 CR(10)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.999987328 α -1.651354300
11 CR(11)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.999987328 α -1.651354300
12 CR(12)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.999987328 α -1.651354300
13 CR(13)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.999987328 α -1.651354299
14 CR(14)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.999987328 α -1.651354299
15 LP(1)As1 s(100.00%) 1.000000000 α -0.602067715
16 LP(2)As1 s(0.00%)p1.00(100.00%) 1.000000000 α -5.074379686
17 LP(3)As1 s(0.00%)p1.00(100.00%) 1.000000000 α -5.074379686
18 LP(4)As1 s(0.00%)p1.00(100.00%) 1.000000000 α -5.074379686
19 RY*(1)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000012672 α 0.693774526
20 RY*(2)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000012672 α 0.693774526
21 RY*(3)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000012672 α 0.693774526
22 RY*(4)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000012672 α 0.693774526
23 RY*(5)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000012672 α 0.693774526
24 RY*(6)As1 s(0.00%)p1.00(100.00%) 0.000000000 α 4.290388024
25 RY*(7)As1 s(0.00%)p1.00(100.00%) 0.000000000 α 0.433099310
26 RY*(8)As1 s(0.00%)p1.00(100.00%) 0.000000000 α 94.313085229
27 RY*(9)As1 s(0.00%)p1.00(100.00%) 0.000000000 α 149.383943696
28 RY*(10)As1 s(0.00%)p1.00(100.00%) -0.000000000 α 2.424651648
29 RY*(11)As1 s(0.00%)p1.00(100.00%) 0.000000000 α 4.290388024
30 RY*(12)As1 s(0.00%)p1.00(100.00%) -0.000000000 α 0.433099310
31 RY*(13)As1 s(0.00%)p1.00(100.00%) -0.000000000 α 94.313085229
32 RY*(14)As1 s(0.00%)p1.00(100.00%) 0.000000000 α 149.383943696
33 RY*(15)As1 s(0.00%)p1.00(100.00%) 0.000000000 α 2.424651648
34 RY*(16)As1 s(0.00%)p1.00(100.00%) -0.000000000 α 4.290388024
35 RY*(17)As1 s(0.00%)p1.00(100.00%) -0.000000000 α 0.433099310
36 RY*(18)As1 s(0.00%)p1.00(100.00%) -0.000000000 α 94.313085229
37 RY*(19)As1 s(0.00%)p1.00(100.00%) 0.000000000 α 149.383943696
38 RY*(20)As1 s(0.00%)p1.00(100.00%) 0.000000000 α 2.424651648
39 RY*(21)As1 s(100.00%) -0.000000000 α 0.664351553
40 RY*(22)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 α 3.256386782
41 RY*(23)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) -0.000000000 α 1.029054503
42 RY*(24)As1 s(100.00%) 0.000000046 α 5.007104299
43 RY*(25)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) -0.000000000 α 3.256386782
44 RY*(26)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) -0.000000000 α 1.029054503
45 RY*(27)As1 s(100.00%) 0.000000000 α 29.810623164
46 RY*(28)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) -0.000000000 α 3.256386782
47 RY*(29)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) -0.000000000 α 1.029054503
48 RY*(30)As1 s(100.00%) 0.000000000 α 593.633253413
49 RY*(31)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 α 3.256386782
50 RY*(32)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 α 1.029054503
51 RY*(33)As1 s(100.00%) 0.000000000 α 325.782803827
52 RY*(34)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 α 3.256386782
53 RY*(35)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) -0.000000000 α 1.029054503
54 CR(1)As1 s(100.00%) 1.000000000 β -422.856213471
55 CR(2)As1 s(100.00%) 1.000000000 β -56.767681339
56 CR(3)As1 s(100.00%) 0.999999954 β -7.066453758
57 CR(4)As1 s(0.00%)p1.00(100.00%) 1.000000000 β -48.122966921
58 CR(5)As1 s(0.00%)p1.00(100.00%) 0.999999850 β -5.064900429
59 CR(6)As1 s(0.00%)p1.00(100.00%) 1.000000000 β -48.122966921
60 CR(7)As1 s(0.00%)p1.00(100.00%) 0.999999850 β -5.064900429
61 CR(8)As1 s(0.00%)p1.00(100.00%) 1.000000000 β -48.122966921
62 CR(9)As1 s(0.00%)p1.00(100.00%) 0.999999850 β -5.064900429
63 CR(10)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.999987328 β -1.641901224
64 CR(11)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.999987328 β -1.641901224
65 CR(12)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.999987328 β -1.641901224
66 CR(13)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.999987328 β -1.641901224
67 CR(14)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.999987328 β -1.641901224
68 LP(1)As1 s(100.00%) 1.000000000 β -0.501199669
69 LP(2)As1 s(0.00%)p1.00(100.00%) 0.000012672 β 0.776364048
70 LP(3)As1 s(0.00%)p1.00(100.00%) 0.000012672 β 0.776364048
71 LP(4)As1 s(0.00%)p1.00(100.00%) 0.000012672 β 0.776364048
72 RY*(1)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000012672 β 0.776364048
73 RY*(2)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000012672 β 0.776364048
74 RY*(3)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) -0.000000000 β -0.115608507
75 RY*(4)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000150 β 4.337438726
76 RY*(5)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 β 0.440053409
77 RY*(6)As1 s(0.00%)p1.00(100.00%) -0.000000000 β 94.333090491
78 RY*(7)As1 s(0.00%)p1.00(100.00%) 0.000000000 β 149.399214306
79 RY*(8)As1 s(0.00%)p1.00(100.00%) 0.000000000 β 2.449582114
80 RY*(9)As1 s(0.00%)p1.00(100.00%) -0.000000000 β -0.115608507
81 RY*(10)As1 s(0.00%)p1.00(100.00%) 0.000000150 β 4.337438726
82 RY*(11)As1 s(0.00%)p1.00(100.00%) 0.000000000 β 0.440053409
83 RY*(12)As1 s(0.00%)p1.00(100.00%) 0.000000000 β 94.333090491
84 RY*(13)As1 s(0.00%)p1.00(100.00%) 0.000000000 β 149.399214306
85 RY*(14)As1 s(0.00%)p1.00(100.00%) -0.000000000 β 2.449582114
86 RY*(15)As1 s(0.00%)p1.00(100.00%) -0.000000000 β -0.115608507
87 RY*(16)As1 s(0.00%)p1.00(100.00%) 0.000000150 β 4.337438726
88 RY*(17)As1 s(0.00%)p1.00(100.00%) 0.000000000 β 0.440053409
89 RY*(18)As1 s(0.00%)p1.00(100.00%) 0.000000000 β 94.333090491
90 RY*(19)As1 s(0.00%)p1.00(100.00%) 0.000000000 β 149.399214306
91 RY*(20)As1 s(0.00%)p1.00(100.00%) 0.000000000 β 2.449582114
92 RY*(21)As1 s(100.00%) 0.000000000 β 0.673590352
93 RY*(22)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 β 3.285160476
94 RY*(23)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) -0.000000000 β 1.059532079
95 RY*(24)As1 s(100.00%) 0.000000046 β 5.027011358
96 RY*(25)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 β 3.285160476
97 RY*(26)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) -0.000000000 β 1.059532079
98 RY*(27)As1 s(100.00%) 0.000000000 β 29.830630903
99 RY*(28)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 β 3.285160476
100 RY*(29)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) -0.000000000 β 1.059532079
101 RY*(30)As1 s(100.00%) 0.000000000 β 593.642139222
102 RY*(31)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) -0.000000000 β 3.285160476
103 RY*(32)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 β 1.059532079
104 RY*(33)As1 s(100.00%) 0.000000000 β 325.798394814
105 RY*(34)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) -0.000000000 β 3.285160476
106 RY*(35)As1 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 β 1.059532079

Natural Bond Orbitals

Orbital Description NHOs Occupancy Spin Energy () Actions
1 CR(1)As1 3837 1.000000000 α -422.861183887
2 CR(2)As1 3838 1.000000000 α -56.770413556
3 CR(3)As1 3839 0.999999954 α -7.074073715
4 CR(4)As1 3840 1.000000000 α -48.128012084
5 CR(5)As1 3841 1.000000000 α -0.247711730
6 CR(6)As1 3842 1.000000000 α -48.128012084
7 CR(7)As1 3843 1.000000000 α -0.247711730
8 CR(8)As1 3844 1.000000000 α -48.128012084
9 CR(9)As1 3845 1.000000000 α -0.247711730
10 CR(10)As1 3846 0.999987328 α -1.651354300
11 CR(11)As1 3847 0.999987328 α -1.651354300
12 CR(12)As1 3848 0.999987328 α -1.651354300
13 CR(13)As1 3849 0.999987328 α -1.651354299
14 CR(14)As1 3850 0.999987328 α -1.651354299
15 LP(1)As1 3851 1.000000000 α -0.602067715
16 LP(2)As1 3852 1.000000000 α -5.074379686
17 LP(3)As1 3853 1.000000000 α -5.074379686
18 LP(4)As1 3854 1.000000000 α -5.074379686
19 RY*(1)As1 3855 0.000012672 α 0.693774526
20 RY*(2)As1 3856 0.000012672 α 0.693774526
21 RY*(3)As1 3857 0.000012672 α 0.693774526
22 RY*(4)As1 3858 0.000012672 α 0.693774526
23 RY*(5)As1 3859 0.000012672 α 0.693774526
24 RY*(6)As1 3860 -0.000000000 α 4.290388024
25 RY*(7)As1 3861 0.000000000 α 0.433099310
26 RY*(8)As1 3862 0.000000000 α 94.313085229
27 RY*(9)As1 3863 0.000000000 α 149.383943696
28 RY*(10)As1 3864 -0.000000000 α 2.424651648
29 RY*(11)As1 3865 0.000000000 α 4.290388024
30 RY*(12)As1 3866 -0.000000000 α 0.433099310
31 RY*(13)As1 3867 -0.000000000 α 94.313085229
32 RY*(14)As1 3868 0.000000000 α 149.383943696
33 RY*(15)As1 3869 0.000000000 α 2.424651648
34 RY*(16)As1 3870 -0.000000000 α 4.290388024
35 RY*(17)As1 3871 -0.000000000 α 0.433099310
36 RY*(18)As1 3872 -0.000000000 α 94.313085229
37 RY*(19)As1 3873 0.000000000 α 149.383943696
38 RY*(20)As1 3874 0.000000000 α 2.424651648
39 RY*(21)As1 3875 -0.000000000 α 0.664351553
40 RY*(22)As1 3876 0.000000000 α 3.256386782
41 RY*(23)As1 3877 -0.000000000 α 1.029054503
42 RY*(24)As1 3878 0.000000046 α 5.007104299
43 RY*(25)As1 3879 -0.000000000 α 3.256386782
44 RY*(26)As1 3880 -0.000000000 α 1.029054503
45 RY*(27)As1 3881 0.000000000 α 29.810623164
46 RY*(28)As1 3882 -0.000000000 α 3.256386782
47 RY*(29)As1 3883 -0.000000000 α 1.029054503
48 RY*(30)As1 3884 0.000000000 α 593.633253413
49 RY*(31)As1 3885 0.000000000 α 3.256386782
50 RY*(32)As1 3886 0.000000000 α 1.029054503
51 RY*(33)As1 3887 0.000000000 α 325.782803827
52 RY*(34)As1 3888 0.000000000 α 3.256386782
53 RY*(35)As1 3889 -0.000000000 α 1.029054503
54 CR(1)As1 3890 1.000000000 β -422.856213471
55 CR(2)As1 3891 1.000000000 β -56.767681339
56 CR(3)As1 3892 0.999999954 β -7.066453758
57 CR(4)As1 3893 1.000000000 β -48.122966921
58 CR(5)As1 3894 0.999999850 β -5.064900429
59 CR(6)As1 3895 1.000000000 β -48.122966921
60 CR(7)As1 3896 0.999999850 β -5.064900429
61 CR(8)As1 3897 1.000000000 β -48.122966921
62 CR(9)As1 3898 0.999999850 β -5.064900429
63 CR(10)As1 3899 0.999987328 β -1.641901224
64 CR(11)As1 3900 0.999987328 β -1.641901224
65 CR(12)As1 3901 0.999987328 β -1.641901224
66 CR(13)As1 3902 0.999987328 β -1.641901224
67 CR(14)As1 3903 0.999987328 β -1.641901224
68 LP(1)As1 3904 1.000000000 β -0.501199669
69 LP(2)As1 3905 0.000012672 β 0.776364048
70 LP(3)As1 3906 0.000012672 β 0.776364048
71 LP(4)As1 3907 0.000012672 β 0.776364048
72 RY*(1)As1 3908 0.000012672 β 0.776364048
73 RY*(2)As1 3909 0.000012672 β 0.776364048
74 RY*(3)As1 3910 -0.000000000 β -0.115608507
75 RY*(4)As1 3911 0.000000150 β 4.337438726
76 RY*(5)As1 3912 0.000000000 β 0.440053409
77 RY*(6)As1 3913 -0.000000000 β 94.333090491
78 RY*(7)As1 3914 0.000000000 β 149.399214306
79 RY*(8)As1 3915 0.000000000 β 2.449582114
80 RY*(9)As1 3916 -0.000000000 β -0.115608507
81 RY*(10)As1 3917 0.000000150 β 4.337438726
82 RY*(11)As1 3918 0.000000000 β 0.440053409
83 RY*(12)As1 3919 0.000000000 β 94.333090491
84 RY*(13)As1 3920 0.000000000 β 149.399214306
85 RY*(14)As1 3921 -0.000000000 β 2.449582114
86 RY*(15)As1 3922 -0.000000000 β -0.115608507
87 RY*(16)As1 3923 0.000000150 β 4.337438726
88 RY*(17)As1 3924 0.000000000 β 0.440053409
89 RY*(18)As1 3925 0.000000000 β 94.333090491
90 RY*(19)As1 3926 0.000000000 β 149.399214306
91 RY*(20)As1 3927 0.000000000 β 2.449582114
92 RY*(21)As1 3928 0.000000000 β 0.673590352
93 RY*(22)As1 3929 0.000000000 β 3.285160476
94 RY*(23)As1 3930 -0.000000000 β 1.059532079
95 RY*(24)As1 3931 0.000000046 β 5.027011358
96 RY*(25)As1 3932 0.000000000 β 3.285160476
97 RY*(26)As1 3933 -0.000000000 β 1.059532079
98 RY*(27)As1 3934 0.000000000 β 29.830630903
99 RY*(28)As1 3935 0.000000000 β 3.285160476
100 RY*(29)As1 3936 -0.000000000 β 1.059532079
101 RY*(30)As1 3937 0.000000000 β 593.642139222
102 RY*(31)As1 3938 -0.000000000 β 3.285160476
103 RY*(32)As1 3939 0.000000000 β 1.059532079
104 RY*(33)As1 3940 0.000000000 β 325.798394814
105 RY*(34)As1 3941 -0.000000000 β 3.285160476
106 RY*(35)As1 3942 0.000000000 β 1.059532079

Quote

WE LEARN WISDOM FROM FAILURE MUCH MORE THAN FROM SUCCESS. WE DISCOVER WHAT WILL DO BY FINDING OUT WHAT WILL NOT DO... AND HE WHO NEVER MADE A MISTAKE NEVER MADE A DISCOVERY