WebMO Job Summary

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	-168.603705049 Hartree
Dipole Moment	3.5678 Debye
Server	class (397116)
CPU time	81.9 sec

Constant	Frequency (GHz)	Frequency (cm-1)
a	608.5714591	20.29975881181
b	11.1113528	0.37063483432
c	10.9121183	0.36398908674

Atom	Symbol	Charge
1	O	-0.134890
2	N	0.053920
3	C	-0.225351
4	H	0.306320

					Show all
Orbital	Symmetry	Occupancy	Spin	Energy ()	Actions
1	-	2	-	-19.26062
2	-	2	-	-14.41865
3	-	2	-	-10.22685
4	-	2	-	-1.18056
5	-	2	-	-0.9336
6	-	2	-	-0.68954
7	-	2	-	-0.54122
8	-	2	-	-0.49192
9	-	2	-	-0.3684
10	-	2	-	-0.32974
11	-	2	-	-0.32944
12	-	0	-	-0.03898
13	-	0	-	-0.00281
14	-	0	-	0.01565
15	-	0	-	0.05401
16	-	0	-	0.07318
17	-	0	-	0.08248
18	-	0	-	0.08504
19	-	0	-	0.08965
20	-	0	-	0.12548
21	-	0	-	0.14733
22	-	0	-	0.18612
23	-	0	-	0.2019
24	-	0	-	0.21638
25	-	0	-	0.22525
26	-	0	-	0.24228
27	-	0	-	0.33547
28	-	0	-	0.40423
29	-	0	-	0.48821
30	-	0	-	0.5636
31	-	0	-	0.56411
32	-	0	-	0.64069
33	-	0	-	0.65486
34	-	0	-	0.73111
35	-	0	-	0.75454
36	-	0	-	0.78922
37	-	0	-	0.83192
38	-	0	-	0.85942
39	-	0	-	0.88508
40	-	0	-	0.93445
41	-	0	-	0.95381
42	-	0	-	0.97845
43	-	0	-	1.02053
44	-	0	-	1.07177
45	-	0	-	1.12741
46	-	0	-	1.15477
47	-	0	-	1.27533
48	-	0	-	1.34778
49	-	0	-	1.40569
50	-	0	-	1.42567
51	-	0	-	1.52337
52	-	0	-	1.64285
53	-	0	-	1.70671
54	-	0	-	1.99184
55	-	0	-	2.0604
56	-	0	-	2.27491
57	-	0	-	2.31866
58	-	0	-	2.44774
59	-	0	-	2.50533
60	-	0	-	2.76891
61	-	0	-	2.7872
62	-	0	-	2.85634
63	-	0	-	3.24611
64	-	0	-	3.24895
65	-	0	-	3.36552
66	-	0	-	3.41164
67	-	0	-	3.49259
68	-	0	-	3.69363
69	-	0	-	3.88961
70	-	0	-	3.91568
71	-	0	-	4.67905
72	-	0	-	4.70472
73	-	0	-	4.72968
74	-	0	-	4.88863
75	-	0	-	5.08371
76	-	0	-	5.08732
77	-	0	-	5.36623
78	-	0	-	5.60591
79	-	0	-	5.86888
80	-	0	-	6.70368
81	-	0	-	6.84365
82	-	0	-	6.86278
83	-	0	-	6.98826
84	-	0	-	7.18549
85	-	0	-	24.05509
86	-	0	-	35.55601
87	-	0	-	49.86034
Electron density
Electrostatic potential
Electrophilic (HOMO) frontier density
Nucleophilic (LUMO) frontier density
Radical frontier density

Atom	Symbol	Charge
1	O	-0.46560
2	N	-0.22436
3	C	0.19858
4	H	0.49139

					Show all
Orbital	Description	Occupancy	Spin	Energy ()	Actions
1	O1 Cor(1S)	1.999748412	-	-19.073451691
2	O1 Val(2S)	1.690343316	-	-0.980627345
3	O1 Ryd(4S)	0.001635178	-	1.771854796
4	O1 Ryd(3S)	0.000104377	-	0.994430171
5	O1 Ryd(5S)	0.000000599	-	49.505575950
6	O1 Val(2p)	1.603057291	-	-0.387211856
7	O1 Ryd(3p)	0.002759833	-	0.630804586
8	O1 Ryd(4p)	0.000142134	-	1.518221955
9	O1 Ryd(5p)	0.000009570	-	4.341076464
10	O1 Val(2p)	1.231650975	-	-0.360696263
11	O1 Ryd(3p)	0.002495979	-	0.557637094
12	O1 Ryd(4p)	0.000128909	-	1.576189075
13	O1 Ryd(5p)	0.000029631	-	4.308673980
14	O1 Val(2p)	1.920026383	-	-0.397664434
15	O1 Ryd(3p)	0.004942467	-	0.515406356
16	O1 Ryd(4p)	0.000005931	-	1.403098529
17	O1 Ryd(5p)	0.000002413	-	4.135867044
18	O1 Ryd(3d)	0.002024551	-	2.011839854
19	O1 Ryd(4d)	0.000070741	-	6.832690092
20	O1 Ryd(3d)	0.001513739	-	1.733835597
21	O1 Ryd(4d)	0.000041059	-	6.515510486
22	O1 Ryd(3d)	0.001523734	-	1.855081075
23	O1 Ryd(4d)	0.000038249	-	6.693330519
24	O1 Ryd(3d)	0.002018402	-	2.483673372
25	O1 Ryd(4d)	0.000116013	-	7.098304031
26	O1 Ryd(3d)	0.001166652	-	2.101995498
27	O1 Ryd(4d)	0.000006603	-	6.778991721
28	N2 Cor(1S)	1.998914013	-	-14.279587177
29	N2 Val(2S)	1.188734399	-	-0.522366702
30	N2 Ryd(4S)	0.001123936	-	0.922948819
31	N2 Ryd(3S)	0.000437410	-	0.711475091
32	N2 Ryd(5S)	0.000008408	-	35.229138029
33	N2 Val(2p)	1.475240991	-	-0.288391180
34	N2 Ryd(3p)	0.001545300	-	0.482779782
35	N2 Ryd(4p)	0.000241588	-	0.783302494
36	N2 Ryd(5p)	0.000008237	-	3.532428748
37	N2 Val(2p)	1.098368894	-	-0.282558515
38	N2 Ryd(4p)	0.012304056	-	0.737565240
39	N2 Ryd(3p)	0.000166667	-	0.695549867
40	N2 Ryd(5p)	0.000142153	-	4.415667730
41	N2 Val(2p)	1.439693078	-	-0.279202132
42	N2 Ryd(3p)	0.000393030	-	0.491248408
43	N2 Ryd(4p)	0.000237242	-	0.797115448
44	N2 Ryd(5p)	0.000004529	-	3.482830855
45	N2 Ryd(3d)	0.002110278	-	2.109065469
46	N2 Ryd(4d)	0.000072051	-	4.773804729
47	N2 Ryd(3d)	0.000116110	-	1.733686997
48	N2 Ryd(4d)	0.000012413	-	4.014013727
49	N2 Ryd(3d)	0.003020596	-	1.965470425
50	N2 Ryd(4d)	0.000009155	-	4.729841792
51	N2 Ryd(3d)	0.000882509	-	2.585836862
52	N2 Ryd(4d)	0.000190241	-	4.865217516
53	N2 Ryd(3d)	0.000327932	-	2.062902083
54	N2 Ryd(4d)	0.000058606	-	4.317185333
55	C3 Cor(1S)	1.999422257	-	-10.036721804
56	C3 Val(2S)	1.591143916	-	-0.394184914
57	C3 Ryd(4S)	0.010534906	-	0.796040232
58	C3 Ryd(3S)	0.000252444	-	0.729501936
59	C3 Ryd(5S)	0.000002112	-	22.788751152
60	C3 Val(2p)	0.554090416	-	-0.058007307
61	C3 Ryd(4p)	0.000479587	-	0.677782997
62	C3 Ryd(5p)	0.000042240	-	2.284121631
63	C3 Ryd(3p)	0.000015052	-	0.457574822
64	C3 Val(2p)	1.008736158	-	0.046325709
65	C3 Ryd(4p)	0.005128522	-	0.690584522
66	C3 Ryd(5p)	0.000151112	-	2.290043734
67	C3 Ryd(3p)	0.000039443	-	0.618248380
68	C3 Val(2p)	0.623233508	-	-0.066626399
69	C3 Ryd(4p)	0.000567034	-	0.677569490
70	C3 Ryd(5p)	0.000018803	-	2.291282973
71	C3 Ryd(3p)	0.000011902	-	0.451032393
72	C3 Ryd(3d)	0.002506191	-	2.189297194
73	C3 Ryd(4d)	0.000070406	-	2.510554502
74	C3 Ryd(3d)	0.000134595	-	1.950668346
75	C3 Ryd(4d)	0.000006342	-	2.063567041
76	C3 Ryd(3d)	0.002846046	-	2.087761033
77	C3 Ryd(4d)	0.000031187	-	2.436321212
78	C3 Ryd(3d)	0.001422567	-	2.533852762
79	C3 Ryd(4d)	0.000116178	-	2.643886257
80	C3 Ryd(3d)	0.000386672	-	2.167993328
81	C3 Ryd(4d)	0.000033118	-	2.250468634
82	H4 Val(1S)	0.504113827	-	0.030624125
83	H4 Ryd(3S)	0.000556384	-	1.929808555
84	H4 Ryd(2S)	0.000484514	-	0.539131767
85	H4 Ryd(2p)	0.001062864	-	2.491599918
86	H4 Ryd(2p)	0.000822280	-	1.763765156
87	H4 Ryd(2p)	0.001570454	-	1.563948251

					Show all
Orbital	Description	Occupancy	Spin	Energy ()	Actions
1	BD(1)O1(N2) 1s(21.61%)p3.62(78.22%)d0.01(0.17%)	1.081177097	-	-0.445078016
2	BD(1)N2(O1) 2s(35.64%)p1.80(64.28%)d0.00(0.08%)	0.961265624	-	-0.379153966
3	BD(1)O1(H4) 1s(20.32%)p3.91(79.56%)d0.01(0.12%)	1.483333376	-	-0.516235395
4	BD(1)H4(O1) 4s(99.78%)p0.00(0.22%)	0.505178452	-	0.040370205
5	BD(1)N2(C3) 2s(61.60%)p0.62(38.37%)d0.00(0.03%)	1.346276550	-	-0.411515666
6	BD(1)C3(N2) 3s(26.03%)p2.83(73.76%)d0.01(0.21%)	0.665379483	-	0.154540547
7	BD(2)N2(C3) 2s(0.00%)p1.00(99.93%)d0.00(0.07%)	1.440541967	-	-0.278526598
8	BD(2)C3(N2) 3s(0.00%)p1.00(99.52%)d0.00(0.48%)	0.626194164	-	-0.058447338
9	BD(3)N2(C3) 2s(2.77%)p35.15(97.19%)d0.02(0.05%)	1.460902890	-	-0.289563901
10	BD(3)C3(N2) 3s(2.59%)p37.49(96.95%)d0.18(0.46%)	0.559649110	-	-0.037077299
11	CR(1)O1 s(100.00%)p0.00(0.00%)	1.999746963	-	-19.073946370
12	CR(1)N2 s(100.00%)p0.00(0.00%)	1.998919308	-	-14.279746574
13	CR(1)C3 s(100.00%)p0.00(0.00%)	1.999411347	-	-10.039034441
14	LP(1)O1 s(58.09%)p0.72(41.84%)d0.00(0.07%)	1.969085362	-	-0.752869902
15	LP(2)O1 s(0.00%)p1.00(99.86%)d0.00(0.14%)	1.923987696	-	-0.399604100
16	LP(1)C3 s(72.19%)p0.38(27.79%)d0.00(0.02%)	1.947837608	-	-0.446196519
17	RY*(1)O1 s(0.00%)p1.00(91.20%)d0.10(8.80%)	0.004106280	-	0.684388887
18	RY*(2)O1 s(19.37%)p3.35(64.96%)d0.81(15.66%)	0.003088461	-	0.990654841
19	RY*(3)O1 s(24.43%)p2.96(72.41%)d0.13(3.16%)	0.000866951	-	1.130394211
20	RY*(4)O1 s(31.47%)p1.00(31.62%)d1.17(36.92%)	0.000182624	-	2.025989217
21	RY*(5)O1 s(0.33%)p99.99(99.15%)d1.59(0.53%)	0.000005388	-	1.524339431
22	RY*(6)O1 s(0.02%)p99.99(99.95%)d2.21(0.04%)	0.000000601	-	4.360598509
23	RY*(7)O1 s(75.74%)p0.11(8.34%)d0.21(15.93%)	0.000003432	-	1.307519018
24	RY*(8)O1 s(9.63%)p8.60(82.76%)d0.79(7.62%)	0.000009152	-	1.476297862
25	RY*(9)O1 s(1.24%)p79.21(98.49%)d0.22(0.27%)	0.000002239	-	4.170918609
26	RY*(10)O1 s(99.92%)p0.00(0.04%)d0.00(0.04%)	0.000000011	-	49.614021447
27	RY*(11)O1 s(0.00%)p1.00(100.00%)	0.000000000	-	1.377457926
28	RY*(12)O1 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000000	-	4.130497294
29	RY*(13)O1 s(2.60%)p6.08(15.81%)d31.38(81.59%)	0.000001677	-	1.844743569
30	RY*(14)O1 s(0.05%)p12.54(0.60%)d99.99(99.35%)	0.000000080	-	6.752774079
31	RY*(15)O1 s(0.00%)p1.00(0.31%)d99.99(99.69%)	0.000000000	-	1.732956919
32	RY*(16)O1 s(0.00%)p0.00(0.01%)d1.00(99.99%)	0.000000000	-	6.515894896
33	RY*(17)O1 s(0.00%)p1.00(8.19%)d11.21(91.81%)	-0.000000000	-	1.772794402
34	RY*(18)O1 s(0.00%)p1.00(0.44%)d99.99(99.56%)	0.000000000	-	6.640078947
35	RY*(19)O1 s(31.03%)p0.76(23.45%)d1.47(45.53%)	0.000001195	-	1.478447326
36	RY*(20)O1 s(0.60%)p0.46(0.28%)d99.99(99.12%)	0.000000029	-	7.051075160
37	RY*(21)O1 s(3.15%)p0.76(2.41%)d29.95(94.44%)	0.000004325	-	1.998326471
38	RY*(22)O1 s(0.40%)p0.33(0.13%)d99.99(99.46%)	0.000000203	-	6.772001418
39	RY*(1)N2 s(0.77%)p99.99(99.02%)d0.28(0.21%)	0.010464865	-	0.809975116
40	RY*(2)N2 s(0.00%)p1.00(12.57%)d6.96(87.43%)	0.002944187	-	1.736621492
41	RY*(3)N2 s(0.06%)p99.99(22.01%)d99.99(77.93%)	0.002332028	-	1.653210748
42	RY*(4)N2 s(1.58%)p50.06(79.23%)d12.12(19.19%)	0.000619018	-	1.254030257
43	RY*(5)N2 s(71.22%)p0.10(6.90%)d0.31(21.88%)	0.000070941	-	1.505266355
44	RY*(6)N2 s(10.30%)p8.41(86.61%)d0.30(3.09%)	0.000016929	-	0.901577640
45	RY*(7)N2 s(97.83%)p0.02(1.72%)d0.00(0.45%)	0.000000001	-	34.421489554
46	RY*(8)N2 s(91.74%)p0.04(3.84%)d0.05(4.42%)	0.000000192	-	0.771016374
47	RY*(9)N2 s(0.78%)p99.99(97.94%)d1.65(1.28%)	0.000004898	-	4.591550813
48	RY*(10)N2 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000000	-	0.405454687
49	RY*(11)N2 s(0.00%)p1.00(70.95%)d0.41(29.05%)	0.000000000	-	1.173666668
50	RY*(12)N2 s(0.00%)p1.00(99.98%)d0.00(0.02%)	0.000000000	-	3.486298801
51	RY*(13)N2 s(0.24%)p99.99(90.92%)d37.20(8.84%)	0.000000067	-	0.942884520
52	RY*(14)N2 s(0.03%)p33.49(0.89%)d99.99(99.09%)	0.000000021	-	4.887637314
53	RY*(15)N2 s(0.00%)p1.00(16.48%)d5.07(83.52%)	0.000000000	-	1.584457921
54	RY*(16)N2 s(0.00%)p1.00(0.05%)d99.99(99.95%)	0.000000000	-	4.025527624
55	RY*(17)N2 s(0.08%)p99.99(99.78%)d1.68(0.14%)	0.000000013	-	3.558050509
56	RY*(18)N2 s(0.00%)p1.00(0.03%)d99.99(99.97%)	0.000000000	-	4.801504927
57	RY*(19)N2 s(20.16%)p0.31(6.31%)d3.65(73.54%)	0.000002397	-	2.182351598
58	RY*(20)N2 s(0.49%)p5.99(2.93%)d99.99(96.58%)	0.000001010	-	4.631925377
59	RY*(21)N2 s(4.69%)p0.26(1.21%)d20.06(94.10%)	0.000000769	-	1.828406129
60	RY*(22)N2 s(0.05%)p18.19(0.85%)d99.99(99.10%)	0.000000144	-	4.272572019
61	RY*(1)C3 s(62.34%)p0.54(33.60%)d0.07(4.06%)	0.001626611	-	1.461300516
62	RY*(2)C3 s(0.00%)p1.00(95.91%)d0.04(4.09%)	0.000655252	-	0.702487773
63	RY*(3)C3 s(15.17%)p4.89(74.16%)d0.70(10.67%)	0.000338960	-	0.783760444
64	RY*(4)C3 s(8.53%)p8.53(72.75%)d2.19(18.72%)	0.000274908	-	1.154388121
65	RY*(5)C3 s(27.75%)p1.62(44.87%)d0.99(27.38%)	0.000048933	-	1.636153161
66	RY*(6)C3 s(0.13%)p99.99(98.98%)d7.11(0.90%)	0.000000187	-	0.400559199
67	RY*(7)C3 s(98.85%)p0.01(0.87%)d0.00(0.29%)	0.000000097	-	22.172875930
68	RY*(8)C3 s(80.87%)p0.14(10.93%)d0.10(8.20%)	0.000000332	-	0.735088793
69	RY*(9)C3 s(4.84%)p18.04(87.34%)d1.62(7.82%)	0.000004085	-	1.682695144
70	RY*(10)C3 s(0.05%)p99.99(99.69%)d4.91(0.26%)	0.000000026	-	2.430425677
71	RY*(11)C3 s(0.00%)p1.00(100.00%)d0.00(0.00%)	0.000000000	-	2.409266189
72	RY*(12)C3 s(0.00%)p1.00(100.00%)d0.00(0.00%)	-0.000000000	-	0.390554048
73	RY*(13)C3 s(0.08%)p99.99(9.42%)d99.99(90.50%)	0.000000067	-	2.069353013
74	RY*(14)C3 s(0.09%)p99.99(22.27%)d99.99(77.63%)	0.000000024	-	2.331609320
75	RY*(15)C3 s(0.00%)p1.00(0.08%)d99.99(99.92%)	0.000000000	-	1.953696909
76	RY*(16)C3 s(0.00%)p1.00(0.60%)d99.99(99.40%)	-0.000000000	-	2.054714739
77	RY*(17)C3 s(0.00%)p1.00(0.77%)d99.99(99.23%)	-0.000000000	-	2.083693102
78	RY*(18)C3 s(0.00%)p1.00(3.13%)d30.98(96.87%)	-0.000000000	-	2.355610666
79	RY*(19)C3 s(0.02%)p99.99(34.87%)d99.99(65.11%)	0.000000899	-	1.672536506
80	RY*(20)C3 s(0.29%)p16.83(4.81%)d99.99(94.91%)	0.000000245	-	2.868532849
81	RY*(21)C3 s(0.10%)p60.43(6.31%)d99.99(93.59%)	0.000000304	-	1.878410692
82	RY*(22)C3 s(0.08%)p7.67(0.64%)d99.99(99.28%)	0.000000071	-	2.276192114
83	RY*(1)H4 s(0.00%)p1.00(100.00%)	0.001570454	-	1.563948251
84	RY*(2)H4 s(39.00%)p1.56(61.00%)	0.001212176	-	1.680295105
85	RY*(3)H4 s(96.56%)p0.04(3.44%)	0.000509207	-	0.985238205
86	RY*(4)H4 s(61.10%)p0.64(38.90%)	0.000132787	-	1.569672646
87	RY*(5)H4 s(3.56%)p27.05(96.44%)	0.000007246	-	2.479353359

					Show all
Orbital	Description	NHOs	Occupancy	Spin	Energy ()	Actions
1	BD(1)O1-N2	322, 323	1.997882056	-	-1.024456015
2	BD(1)O1-H4	324, 325	1.980197736	-	-0.803409614
3	BD(1)N2-C3	326, 327	1.998072072	-	-1.013199734
4	BD(2)N2-C3	328, 329	1.995887474	-	-0.398868449
5	BD(3)N2-C3	330, 331	1.986256004	-	-0.443989298
6	CR(1)O1	332	1.999746963	-	-19.073946370
7	CR(1)N2	333	1.998919308	-	-14.279746574
8	CR(1)C3	334	1.999411346	-	-10.039034436
9	LP(1)O1	335	1.969085362	-	-0.752869902
10	LP(2)O1	336	1.923987696	-	-0.399604100
11	LP(1)C3	337	1.947837607	-	-0.446196518
12	RY*(1)O1	338	0.004106280	-	0.684388887
13	RY*(2)O1	339	0.003088461	-	0.990654841
14	RY*(3)O1	340	0.000866951	-	1.130394211
15	RY*(4)O1	341	0.000182624	-	2.025989217
16	RY*(5)O1	342	0.000005388	-	1.524339431
17	RY*(6)O1	343	0.000000601	-	4.360598509
18	RY*(7)O1	344	0.000003432	-	1.307519018
19	RY*(8)O1	345	0.000009152	-	1.476297862
20	RY*(9)O1	346	0.000002239	-	4.170918609
21	RY*(10)O1	347	0.000000011	-	49.614021447
22	RY*(11)O1	348	0.000000000	-	1.377457926
23	RY*(12)O1	349	0.000000000	-	4.130497294
24	RY*(13)O1	350	0.000001677	-	1.844743569
25	RY*(14)O1	351	0.000000080	-	6.752774079
26	RY*(15)O1	352	0.000000000	-	1.732956919
27	RY*(16)O1	353	-0.000000000	-	6.515894896
28	RY*(17)O1	354	-0.000000000	-	1.772794402
29	RY*(18)O1	355	0.000000000	-	6.640078947
30	RY*(19)O1	356	0.000001195	-	1.478447326
31	RY*(20)O1	357	0.000000029	-	7.051075160
32	RY*(21)O1	358	0.000004325	-	1.998326471
33	RY*(22)O1	359	0.000000203	-	6.772001418
34	RY*(1)N2	360	0.010464865	-	0.809975116
35	RY*(2)N2	361	0.002944187	-	1.736621492
36	RY*(3)N2	362	0.002332028	-	1.653210748
37	RY*(4)N2	363	0.000619018	-	1.254030257
38	RY*(5)N2	364	0.000070941	-	1.505266355
39	RY*(6)N2	365	0.000016929	-	0.901577640
40	RY*(7)N2	366	0.000000001	-	34.421489554
41	RY*(8)N2	367	0.000000192	-	0.771016374
42	RY*(9)N2	368	0.000004898	-	4.591550813
43	RY*(10)N2	369	0.000000000	-	0.405454687
44	RY*(11)N2	370	0.000000000	-	1.173666668
45	RY*(12)N2	371	0.000000000	-	3.486298801
46	RY*(13)N2	372	0.000000067	-	0.942884520
47	RY*(14)N2	373	0.000000021	-	4.887637314
48	RY*(15)N2	374	0.000000000	-	1.584457921
49	RY*(16)N2	375	0.000000000	-	4.025527624
50	RY*(17)N2	376	0.000000013	-	3.558050509
51	RY*(18)N2	377	0.000000000	-	4.801504927
52	RY*(19)N2	378	0.000002397	-	2.182351598
53	RY*(20)N2	379	0.000001010	-	4.631925377
54	RY*(21)N2	380	0.000000769	-	1.828406129
55	RY*(22)N2	381	0.000000144	-	4.272572019
56	RY*(1)C3	382	0.001626611	-	1.461300516
57	RY*(2)C3	383	0.000655252	-	0.702487773
58	RY*(3)C3	384	0.000338960	-	0.783760444
59	RY*(4)C3	385	0.000274908	-	1.154388121
60	RY*(5)C3	386	0.000048933	-	1.636153161
61	RY*(6)C3	387	0.000000187	-	0.400559199
62	RY*(7)C3	388	0.000000097	-	22.172875930
63	RY*(8)C3	389	0.000000332	-	0.735088793
64	RY*(9)C3	390	0.000004085	-	1.682695144
65	RY*(10)C3	391	0.000000026	-	2.430425677
66	RY*(11)C3	392	0.000000000	-	2.409266189
67	RY*(12)C3	393	-0.000000000	-	0.390554048
68	RY*(13)C3	394	0.000000067	-	2.069353013
69	RY*(14)C3	395	0.000000024	-	2.331609320
70	RY*(15)C3	396	0.000000000	-	1.953696909
71	RY*(16)C3	397	-0.000000000	-	2.054714739
72	RY*(17)C3	398	0.000000000	-	2.083693102
73	RY*(18)C3	399	0.000000000	-	2.355610666
74	RY*(19)C3	400	0.000000899	-	1.672536506
75	RY*(20)C3	401	0.000000245	-	2.868532849
76	RY*(21)C3	402	0.000000304	-	1.878410692
77	RY*(22)C3	403	0.000000071	-	2.276192114
78	RY*(1)H4	404	0.001570454	-	1.563948251
79	RY*(2)H4	405	0.001212176	-	1.680295105
80	RY*(3)H4	406	0.000509207	-	0.985238205
81	RY*(4)H4	407	0.000132787	-	1.569672646
82	RY*(5)H4	408	0.000007246	-	2.479353359
83	BD*(1)O1-N2		0.044560663	-	0.200224034
84	BD*(1)O1-H4		0.008314091	-	0.327544425
85	BD*(1)N2-C3		0.013583961	-	0.756224615
86	BD*(2)N2-C3		0.070848657	-	0.061894513
87	BD*(3)N2-C3		0.034295995	-	0.117348099

SUCCESS-- IF YOU HAVE TRIED TO DO SOMETHING AND FAILED YOU ARE BETTER OFF THAN IF YOU HAD TRIED TO DO NOTHING AND SUCCEEDED. -- FROM THE BACK OF A SUGAR PACKET