WebMO Job Summary

385438: CHON isocyanic acid, 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,NBO7Read)
Method B3LYP
Stoichiometry CHNO
Symmetry CS
Basis 6-311+G(2d,p)
RB3LYP Energy -168.742391713 Hartree
Dipole Moment 2.1640 Debye
Server class (387021)
CPU time 55.5 sec

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 870.7699436 29.04575883627
b 11.1018361 0.37031739137
c 10.9620757 0.36565548624

Partial Charges

Atom Symbol Charge
1 N -0.305565  
2 C 0.336179  
3 O -0.284388  
4 H 0.253775  

Molecular Orbitals

Orbital Symmetry Occupancy Spin Energy () Actions
1 - 2 - -19.1888
2 - 2 - -14.34725
3 - 2 - -10.32436
4 - 2 - -1.12992
5 - 2 - -0.96017
6 - 2 - -0.61878
7 - 2 - -0.52511
8 - 2 - -0.47862
9 - 2 - -0.47453
10 - 2 - -0.34357
11 - 2 - -0.31809
12 - 0 - -0.01441
13 - 0 - -0.01043
14 - 0 - 0.04229
15 - 0 - 0.04294
16 - 0 - 0.0544
17 - 0 - 0.05752
18 - 0 - 0.11113
19 - 0 - 0.13292
20 - 0 - 0.15077
21 - 0 - 0.16448
22 - 0 - 0.20921
23 - 0 - 0.22015
24 - 0 - 0.25238
25 - 0 - 0.25536
26 - 0 - 0.26396
27 - 0 - 0.33299
28 - 0 - 0.50044
29 - 0 - 0.53255
30 - 0 - 0.56324
31 - 0 - 0.58105
32 - 0 - 0.59085
33 - 0 - 0.6272
34 - 0 - 0.69935
35 - 0 - 0.71411
36 - 0 - 0.75551
37 - 0 - 0.7928
38 - 0 - 0.88613
39 - 0 - 0.95158
40 - 0 - 0.96936
41 - 0 - 1.01175
42 - 0 - 1.01249
43 - 0 - 1.0725
44 - 0 - 1.07322
45 - 0 - 1.17304
46 - 0 - 1.27585
47 - 0 - 1.48401
48 - 0 - 1.5482
49 - 0 - 1.58713
50 - 0 - 1.62144
51 - 0 - 1.69095
52 - 0 - 1.83562
53 - 0 - 1.89171
54 - 0 - 1.9755
55 - 0 - 2.13003
56 - 0 - 2.24122
57 - 0 - 2.25413
58 - 0 - 2.58295
59 - 0 - 2.59988
60 - 0 - 2.62223
61 - 0 - 2.74477
62 - 0 - 2.87261
63 - 0 - 3.15519
64 - 0 - 3.17908
65 - 0 - 3.2512
66 - 0 - 3.3604
67 - 0 - 3.5662
68 - 0 - 3.66375
69 - 0 - 3.96784
70 - 0 - 4.13366
71 - 0 - 4.7673
72 - 0 - 4.80075
73 - 0 - 4.88928
74 - 0 - 4.97867
75 - 0 - 5.02034
76 - 0 - 5.04502
77 - 0 - 5.18793
78 - 0 - 5.44428
79 - 0 - 6.09407
80 - 0 - 6.70719
81 - 0 - 6.71047
82 - 0 - 7.09771
83 - 0 - 7.10948
84 - 0 - 7.25951
85 - 0 - 24.15304
86 - 0 - 35.68425
87 - 0 - 49.95195
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Natural Population Analysis

Atom Symbol Charge
1 N -0.76586  
2 C 0.84936  
3 O -0.49777  
4 H 0.41426  

Natural Atomic Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 N1 Cor(1s) 1.999989564 - -14.347140899
2 N1 Val(2s) 1.412780590 - -0.440661550
3 N1 Ryd(3s) 0.001015526 - 1.443008593
4 N1 Ryd(4s) 0.000028928 - 3.331999126
5 N1 Ryd(5s) 0.000004656 - 32.833245787
6 N1 Val(2p) 1.417903748 - -0.219982358
7 N1 Ryd(3p) 0.001581002 - 0.639074589
8 N1 Ryd(4p) 0.000094874 - 0.652109770
9 N1 Ryd(5p) 0.000002408 - 4.222606194
10 N1 Val(2p) 1.398682866 - -0.216752701
11 N1 Ryd(3p) 0.002593986 - 0.616373594
12 N1 Ryd(4p) 0.000288574 - 1.015936884
13 N1 Ryd(5p) 0.000006364 - 4.542123644
14 N1 Val(2p) 1.511109815 - -0.243314522
15 N1 Ryd(3p) 0.001869656 - 0.472429977
16 N1 Ryd(4p) 0.000001840 - 0.663376193
17 N1 Ryd(5p) 0.000000592 - 3.711673516
18 N1 Ryd(3d) 0.004374325 - 1.722090354
19 N1 Ryd(4d) 0.000071045 - 5.058865203
20 N1 Ryd(3d) 0.000338059 - 1.133528083
21 N1 Ryd(4d) 0.000015491 - 4.672484526
22 N1 Ryd(3d) 0.004733656 - 1.344297203
23 N1 Ryd(4d) 0.000035298 - 4.855235296
24 N1 Ryd(3d) 0.005351231 - 2.065378628
25 N1 Ryd(4d) 0.000063405 - 5.093399745
26 N1 Ryd(3d) 0.002903975 - 1.533362358
27 N1 Ryd(4d) 0.000014545 - 4.818747697
28 C2 Cor(1s) 1.999980697 - -10.324224516
29 C2 Val(2s) 0.704000071 - -0.046115711
30 C2 Ryd(3s) 0.000378083 - 1.299761059
31 C2 Ryd(5s) 0.000038506 - 14.447995514
32 C2 Ryd(4s) 0.000034822 - 6.006986531
33 C2 Val(2p) 0.762911554 - -0.099365829
34 C2 Ryd(3p) 0.002810715 - 0.814920889
35 C2 Ryd(5p) 0.000116190 - 2.173604423
36 C2 Ryd(4p) 0.000009625 - 0.953466055
37 C2 Val(2p) 0.836599657 - 0.102056900
38 C2 Ryd(3p) 0.015255330 - 1.163187346
39 C2 Ryd(5p) 0.000211106 - 2.952975242
40 C2 Ryd(4p) 0.000007257 - 2.209470410
41 C2 Val(2p) 0.820471624 - -0.136666759
42 C2 Ryd(3p) 0.000583862 - 0.760470282
43 C2 Ryd(5p) 0.000042902 - 1.963397097
44 C2 Ryd(4p) 0.000039035 - 0.766848585
45 C2 Ryd(4d) 0.001611749 - 3.015752918
46 C2 Ryd(3d) 0.000070334 - 2.557215361
47 C2 Ryd(4d) 0.000463194 - 2.185091517
48 C2 Ryd(3d) 0.000007355 - 1.953781988
49 C2 Ryd(4d) 0.002599515 - 2.760433530
50 C2 Ryd(3d) 0.000002433 - 2.230594610
51 C2 Ryd(4d) 0.001837030 - 3.081055795
52 C2 Ryd(3d) 0.000108607 - 2.684045587
53 C2 Ryd(4d) 0.000405901 - 2.441442999
54 C2 Ryd(3d) 0.000038232 - 2.244307551
55 O3 Cor(1s) 1.999994056 - -19.187812880
56 O3 Val(2s) 1.706919625 - -0.709558214
57 O3 Ryd(3s) 0.000686822 - 2.440741842
58 O3 Ryd(4s) 0.000030060 - 2.754839983
59 O3 Ryd(5s) 0.000000448 - 44.040347900
60 O3 Val(2p) 1.555930480 - -0.315899419
61 O3 Ryd(3p) 0.001323515 - 0.600135664
62 O3 Ryd(4p) 0.000054226 - 0.742944283
63 O3 Ryd(5p) 0.000007939 - 5.126665051
64 O3 Val(2p) 1.558950416 - -0.323343462
65 O3 Ryd(3p) 0.000749703 - 0.777965387
66 O3 Ryd(4p) 0.000355610 - 0.821627347
67 O3 Ryd(5p) 0.000018824 - 5.938924315
68 O3 Val(2p) 1.648356308 - -0.318558818
69 O3 Ryd(3p) 0.002309547 - 0.566815043
70 O3 Ryd(4p) 0.000007574 - 0.718261906
71 O3 Ryd(5p) 0.000003789 - 4.918699997
72 O3 Ryd(3d) 0.006613106 - 1.973570032
73 O3 Ryd(4d) 0.000018475 - 7.004440949
74 O3 Ryd(3d) 0.001203514 - 1.544205898
75 O3 Ryd(4d) 0.000008491 - 6.717937196
76 O3 Ryd(3d) 0.005245879 - 1.691236393
77 O3 Ryd(4d) 0.000035483 - 6.936771998
78 O3 Ryd(3d) 0.006593359 - 1.939730748
79 O3 Ryd(4d) 0.000022924 - 7.014099972
80 O3 Ryd(3d) 0.002328890 - 1.725959369
81 O3 Ryd(4d) 0.000003923 - 6.770952435
82 H4 Val(1s) 0.583944465 - 0.072738350
83 H4 Ryd(3s) 0.000293159 - 2.084598354
84 H4 Ryd(2s) 0.000164419 - 0.810666865
85 H4 Ryd(2p) 0.000568080 - 2.532473949
86 H4 Ryd(2p) 0.000250402 - 1.909670009
87 H4 Ryd(2p) 0.000515089 - 1.742601589

Natural Hybrid Orbitals

Orbital Description Occupancy Spin Energy () Actions
1 CR(1)N1 s(100.00%) 1.999989564 - -14.347140899
2 CR(1)C2 s(100.00%) 1.999980697 - -10.324224516
3 CR(1)O3 s(100.00%) 1.999994056 - -19.187812880
4 LP(1)N1 s(40.22%)p1.48(59.51%)d0.01(0.27%) 1.721275166 - -0.377469369
5 LP(1)O3 s(60.53%)p0.65(39.38%)d0.00(0.10%) 1.978218248 - -0.620922296
6 LP(2)O3 s(0.00%)p1.00(99.61%)d0.00(0.39%) 1.654841627 - -0.321498980
7 BD(1)N1(C2) 1s(0.00%)p1.00(99.68%)d0.00(0.32%) 1.516456295 - -0.244565103
8 BD(1)C2(N1) 2s(0.00%)p1.00(99.82%)d0.00(0.18%) 0.819772194 - -0.136218367
9 BD(2)N1(C2) 1s(39.54%)p1.52(60.06%)d0.01(0.39%) 1.165400531 - -0.196123400
10 BD(2)C2(N1) 2s(53.69%)p0.86(46.23%)d0.00(0.09%) 0.843773284 - 0.046374630
11 BD(1)N1(H4) 1s(20.09%)p3.97(79.66%)d0.01(0.25%) 1.359334528 - -0.282307526
12 BD(1)H4(N1) 4s(99.94%)p0.00(0.06%) 0.584332751 - 0.078122120
13 BD(1)C2(O3) 2s(43.41%)p1.30(56.46%)d0.00(0.13%) 0.727542315 - 0.061531334
14 BD(1)O3(C2) 3s(36.33%)p1.74(63.12%)d0.02(0.55%) 1.311968384 - -0.395208136
15 BD(2)C2(O3) 2s(2.69%)p36.14(97.09%)d0.08(0.22%) 0.735959407 - -0.110516817
16 BD(2)O3(C2) 3s(3.11%)p31.02(96.49%)d0.13(0.40%) 1.548208444 - -0.325603538
17 RY(1)N1 s(0.00%)p1.00(94.84%)d0.05(5.16%) 0.001648112 - 0.613305652
18 RY(2)N1 s(18.40%)p3.98(73.33%)d0.45(8.27%) 0.001284312 - 0.847090425
19 RY(3)N1 s(5.49%)p15.03(82.52%)d2.18(11.98%) 0.000412568 - 0.984820620
20 RY(4)N1 s(51.22%)p0.70(35.81%)d0.25(12.97%) 0.000049160 - 2.372865938
21 RY(5)N1 s(2.18%)p19.34(42.15%)d25.54(55.67%) 0.000004760 - 4.385993243
22 RY(6)N1 s(26.65%)p1.79(47.71%)d0.96(25.65%) 0.000000000 - 4.842406501
23 RY(7)N1 s(12.81%)p5.51(70.60%)d1.30(16.59%) 0.000000000 - 3.353700356
24 RY(8)N1 s(45.99%)p0.64(29.22%)d0.54(24.79%) 0.000000000 - 14.279677827
25 RY(9)N1 s(18.84%)p1.61(30.25%)d2.70(50.91%) 0.000000000 - 6.508048394
26 RY(10)N1 s(58.31%)p0.38(21.98%)d0.34(19.70%) 0.000000899 - 5.041199908
27 RY(11)N1 s(0.00%)p1.00(100.00%)d0.00(0.00%) 0.000000000 - 0.643364903
28 RY(12)N1 s(0.00%)p1.00(100.00%)d0.00(0.00%) 0.000000000 - 3.713545543
29 RY(13)N1 s(14.68%)p3.86(56.61%)d1.96(28.71%) 0.000000125 - 5.066138493
30 RY(14)N1 s(7.51%)p2.58(19.39%)d9.73(73.10%) 0.000000000 - 4.749044795
31 RY(15)N1 s(0.00%)p1.00(0.25%)d99.99(99.75%) 0.000000000 - 1.136629343
32 RY(16)N1 s(0.00%)p1.00(0.11%)d99.99(99.89%) 0.000000000 - 4.664574169
33 RY(17)N1 s(0.00%)p1.00(2.94%)d33.03(97.06%) 0.000000000 - 1.289121695
34 RY(18)N1 s(0.00%)p1.00(2.17%)d44.99(97.83%) 0.000000000 - 4.793734071
35 RY(19)N1 s(11.35%)p2.90(32.95%)d4.90(55.69%) 0.000000000 - 3.280871843
36 RY(20)N1 s(9.88%)p0.86(8.53%)d8.26(81.59%) 0.000000000 - 3.164727239
37 RY(21)N1 s(15.40%)p1.95(30.08%)d3.54(54.52%) 0.000000000 - 6.643934904
38 RY(22)N1 s(1.42%)p13.79(19.62%)d55.46(78.95%) 0.000000000 - 4.046305365
39 RY(1)C2 s(0.62%)p99.99(98.18%)d1.92(1.20%) 0.014459992 - 1.311630202
40 RY(2)C2 s(0.00%)p1.00(2.54%)d38.40(97.46%) 0.004437726 - 2.748705031
41 RY(3)C2 s(1.40%)p2.27(3.19%)d67.98(95.40%) 0.003418944 - 2.804362337
42 RY(4)C2 s(5.26%)p14.70(77.25%)d3.33(17.50%) 0.001277014 - 2.257729254
43 RY(5)C2 s(10.84%)p1.24(13.44%)d6.98(75.72%) 0.000009655 - 2.506188807
44 RY(6)C2 s(7.23%)p11.67(84.35%)d1.17(8.43%) 0.000003159 - 2.391047593
45 RY(7)C2 s(7.06%)p10.37(73.18%)d2.80(19.77%) 0.000000000 - 3.214731908
46 RY(8)C2 s(2.26%)p1.85(4.19%)d41.37(93.55%) 0.000000000 - 2.919197301
47 RY(9)C2 s(68.31%)p0.25(17.02%)d0.21(14.67%) 0.000000000 - 3.108060202
48 RY(10)C2 s(11.43%)p5.70(65.17%)d2.05(23.40%) 0.000000000 - 2.909851606
49 RY(11)C2 s(0.00%)p1.00(94.94%)d0.05(5.06%) 0.000000000 - 0.837595409
50 RY(12)C2 s(0.00%)p1.00(97.95%)d0.02(2.05%) 0.000000000 - 1.936883210
51 RY(13)C2 s(0.00%)p1.00(93.40%)d0.07(6.60%) 0.000000000 - 0.965715589
52 RY(14)C2 s(48.71%)p0.95(46.48%)d0.10(4.80%) 0.000000000 - 6.579813230
53 RY(15)C2 s(21.67%)p0.92(20.04%)d2.69(58.29%) 0.000000000 - 3.966637895
54 RY(16)C2 s(0.00%)p1.00(11.34%)d7.82(88.66%) 0.000000000 - 1.898549383
55 RY(17)C2 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 - 1.970742235
56 RY(18)C2 s(18.26%)p0.43(7.93%)d4.04(73.81%) 0.000000000 - 4.561249479
57 RY(19)C2 s(0.00%)p0.00(0.00%)d1.00(100.00%) 0.000000000 - 2.261978360
58 RY(20)C2 s(70.11%)p0.16(11.14%)d0.27(18.75%) 0.000000996 - 6.129822108
59 RY(21)C2 s(10.46%)p0.69(7.20%)d7.87(82.34%) 0.000000000 - 2.512851220
60 RY(22)C2 s(16.59%)p4.31(71.48%)d0.72(11.94%) 0.000000000 - 0.832200753
61 RY(1)O3 s(0.00%)p1.00(96.97%)d0.03(3.03%) 0.002328958 - 0.724684006
62 RY(2)O3 s(1.55%)p61.10(94.47%)d2.58(3.99%) 0.001609393 - 0.784285854
63 RY(3)O3 s(11.79%)p6.93(81.68%)d0.55(6.54%) 0.000557663 - 0.743080559
64 RY(4)O3 s(14.82%)p4.71(69.77%)d1.04(15.41%) 0.000038585 - 1.143946760
65 RY(5)O3 s(6.22%)p13.56(84.31%)d1.52(9.48%) 0.000005654 - 3.966133679
66 RY(6)O3 s(27.09%)p1.06(28.79%)d1.63(44.12%) 0.000001585 - 2.813687025
67 RY(7)O3 s(79.81%)p0.16(13.15%)d0.09(7.04%) 0.000000388 - 10.254325210
68 RY(8)O3 s(1.79%)p54.14(96.89%)d0.74(1.32%) 0.000000000 - 5.126139280
69 RY(9)O3 s(10.35%)p3.64(37.70%)d5.02(51.96%) 0.000000000 - 3.380988988
70 RY(10)O3 s(91.88%)p0.05(4.17%)d0.04(3.95%) 0.000000000 - 35.864115970
71 RY(11)O3 s(0.00%)p1.00(100.00%)d0.00(0.00%) 0.000000000 - 0.707286568
72 RY(12)O3 s(0.00%)p1.00(100.00%)d0.00(0.00%) 0.000000000 - 4.919201991
73 RY(13)O3 s(48.40%)p0.58(28.13%)d0.48(23.47%) 0.000000000 - 1.958776736
74 RY(14)O3 s(2.28%)p14.07(32.02%)d28.86(65.70%) 0.000000000 - 6.289365911
75 RY(15)O3 s(0.00%)p1.00(0.45%)d99.99(99.55%) 0.000000000 - 1.534331357
76 RY(16)O3 s(0.00%)p1.00(0.34%)d99.99(99.66%) 0.000000000 - 6.700410006
77 RY(17)O3 s(0.00%)p1.00(1.21%)d81.71(98.79%) 0.000000000 - 1.659973299
78 RY(18)O3 s(0.00%)p1.00(1.42%)d69.25(98.58%) 0.000000000 - 6.850981365
79 RY(19)O3 s(0.61%)p38.08(23.18%)d99.99(76.21%) 0.000000000 - 2.286069507
80 RY(20)O3 s(2.14%)p1.52(3.26%)d44.11(94.59%) 0.000000000 - 6.610442783
81 RY(21)O3 s(0.78%)p3.31(2.59%)d99.99(96.62%) 0.000000000 - 1.880190180
82 RY(22)O3 s(0.53%)p1.71(0.91%)d99.99(98.56%) 0.000000000 - 6.564329712
83 RY(1)H4 s(43.48%)p1.30(56.52%) 0.000575156 - 2.136732547
84 RY(2)H4 s(0.00%)p1.00(100.00%) 0.000515089 - 1.742601589
85 RY(3)H4 s(90.78%)p0.10(9.22%) 0.000183746 - 0.940319733
86 RY(4)H4 s(39.73%)p1.52(60.27%) 0.000120214 - 2.044891519
87 RY(5)H4 s(26.07%)p2.84(73.93%) 0.000008657 - 2.210081609

Natural Bond Orbitals

Orbital Description NHOs Occupancy Spin Energy () Actions
1 CR(1)N1 1112 1.999989564 - -14.347140899
2 CR(1)C2 1113 1.999980697 - -10.324224516
3 CR(1)O3 1114 1.999994056 - -19.187812880
4 LP(1)N1 1115 1.721275166 - -0.377469369
5 LP(1)O3 1116 1.978218248 - -0.620922296
6 LP(2)O3 1117 1.654841627 - -0.321498980
7 BD(1)N1-C2 1118, 1119 1.997238998 - -0.387368111
8 BD(2)N1-C2 1120, 1121 1.995158266 - -0.871832170
9 BD(1)N1-H4 1122, 1123 1.911944817 - -0.607860625
10 BD(1)C2-O3 1124, 1125 1.995841040 - -0.972181646
11 BD(2)C2-O3 1126, 1127 1.991857303 - -0.486504582
12 BD*(1)N1-C2 0.338989491 - 0.006584641
13 BD*(2)N1-C2 0.014015549 - 0.722083400
14 BD*(1)N1-H4 0.031722462 - 0.403675219
15 BD*(1)C2-O3 0.043669659 - 0.638504845
16 BD*(2)C2-O3 0.292310548 - 0.050384227
17 RY(1)N1 1128 0.001648112 - 0.613305652
18 RY(2)N1 1129 0.001284312 - 0.847090425
19 RY(3)N1 1130 0.000412568 - 0.984820620
20 RY(4)N1 1131 0.000049160 - 2.372865938
21 RY(5)N1 1132 0.000004760 - 4.385993243
22 RY(6)N1 1133 0.000000000 - 4.842406501
23 RY(7)N1 1134 0.000000000 - 3.353700356
24 RY(8)N1 1135 0.000000000 - 14.279677827
25 RY(9)N1 1136 0.000000000 - 6.508048394
26 RY(10)N1 1137 0.000000899 - 5.041199908
27 RY(11)N1 1138 0.000000000 - 0.643364903
28 RY(12)N1 1139 0.000000000 - 3.713545543
29 RY(13)N1 1140 0.000000125 - 5.066138493
30 RY(14)N1 1141 0.000000000 - 4.749044795
31 RY(15)N1 1142 0.000000000 - 1.136629343
32 RY(16)N1 1143 0.000000000 - 4.664574169
33 RY(17)N1 1144 0.000000000 - 1.289121695
34 RY(18)N1 1145 0.000000000 - 4.793734071
35 RY(19)N1 1146 0.000000000 - 3.280871843
36 RY(20)N1 1147 0.000000000 - 3.164727239
37 RY(21)N1 1148 0.000000000 - 6.643934904
38 RY(22)N1 1149 0.000000000 - 4.046305365
39 RY(1)C2 1150 0.014459992 - 1.311630202
40 RY(2)C2 1151 0.004437726 - 2.748705031
41 RY(3)C2 1152 0.003418944 - 2.804362337
42 RY(4)C2 1153 0.001277014 - 2.257729254
43 RY(5)C2 1154 0.000009655 - 2.506188807
44 RY(6)C2 1155 0.000003159 - 2.391047593
45 RY(7)C2 1156 0.000000000 - 3.214731908
46 RY(8)C2 1157 0.000000000 - 2.919197301
47 RY(9)C2 1158 0.000000000 - 3.108060202
48 RY(10)C2 1159 0.000000000 - 2.909851606
49 RY(11)C2 1160 0.000000000 - 0.837595409
50 RY(12)C2 1161 0.000000000 - 1.936883210
51 RY(13)C2 1162 0.000000000 - 0.965715589
52 RY(14)C2 1163 0.000000000 - 6.579813230
53 RY(15)C2 1164 0.000000000 - 3.966637895
54 RY(16)C2 1165 0.000000000 - 1.898549383
55 RY(17)C2 1166 0.000000000 - 1.970742235
56 RY(18)C2 1167 0.000000000 - 4.561249479
57 RY(19)C2 1168 0.000000000 - 2.261978360
58 RY(20)C2 1169 0.000000996 - 6.129822108
59 RY(21)C2 1170 0.000000000 - 2.512851220
60 RY(22)C2 1171 0.000000000 - 0.832200753
61 RY(1)O3 1172 0.002328958 - 0.724684006
62 RY(2)O3 1173 0.001609393 - 0.784285854
63 RY(3)O3 1174 0.000557663 - 0.743080559
64 RY(4)O3 1175 0.000038585 - 1.143946760
65 RY(5)O3 1176 0.000005654 - 3.966133679
66 RY(6)O3 1177 0.000001585 - 2.813687025
67 RY(7)O3 1178 0.000000388 - 10.254325210
68 RY(8)O3 1179 0.000000000 - 5.126139280
69 RY(9)O3 1180 0.000000000 - 3.380988988
70 RY(10)O3 1181 0.000000000 - 35.864115970
71 RY(11)O3 1182 0.000000000 - 0.707286568
72 RY(12)O3 1183 0.000000000 - 4.919201991
73 RY(13)O3 1184 0.000000000 - 1.958776736
74 RY(14)O3 1185 0.000000000 - 6.289365911
75 RY(15)O3 1186 0.000000000 - 1.534331357
76 RY(16)O3 1187 0.000000000 - 6.700410006
77 RY(17)O3 1188 0.000000000 - 1.659973299
78 RY(18)O3 1189 0.000000000 - 6.850981365
79 RY(19)O3 1190 0.000000000 - 2.286069507
80 RY(20)O3 1191 0.000000000 - 6.610442783
81 RY(21)O3 1192 0.000000000 - 1.880190180
82 RY(22)O3 1193 0.000000000 - 6.564329712
83 RY(1)H4 1194 0.000575156 - 2.136732547
84 RY(2)H4 1195 0.000515089 - 1.742601589
85 RY(3)H4 1196 0.000183746 - 0.940319733
86 RY(4)H4 1197 0.000120214 - 2.044891519
87 RY(5)H4 1198 0.000008657 - 2.210081609

Quote

I DON'T EXACTLY UNDERSTAND WHAT YOU ARE SAYING, BUT YOU ARE ABSOLUTELY RIGHT. M.S.GORDON, IN A NDSU FACULTY MEETING