Gaussian 16 GINC-BERON07 GRUFOR coments ES64L-G16RevC.02 23-Sep-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 37 37 71 72 356 (5D, 7F) def2SVP 105 105 C1[X(C10H18BN4O4)] C1[X(C10H18BN4O4)] UwB97XD def2SVP FTS #p wB97xD/Def2SVP opt=(ts,noeigentest,calcfc) freq SCF=(XQC) gfprint gfinput 250.94240000000002 0 2 AuxInfo=1/0/N:3,4,28,29,1,27,2,5,36,34;19,20,11,13,14,15,17,16,18;10/E:(1,2)(3,4)(7,8)(9,10);(1,2)(4,5)(6,7)(8,9);/CRV:1.3,2.3,5.3;3.3,4.3,5.3,6.1,7.1;/rA:37nC3NC3C3NHHHHH0C3HC3C3O1OO1OCCHHHHHHBCCHHHHNHNH/rB:s1;s2;s3;s1s4;s2;s3;s4;s5;;;s11;s11;s11;s13;s13;s14;s14;s16;s18;s19;s19;s19;s20;s20;s20;s1;;s28;s28;s28;s29;s29;s27s29;s34;s27s28;s36;/rC:2.3861,.3303,-.0787;2.5011,-.9836,-.3086;3.7677,-1.2789,-.7605;4.4489,-.1047,-.8507;3.5673,.8652,-.4318;1.7043,-1.6558,-.1797;4.0736,-2.2906,-1.0078;5.4639,.1108,-1.1683;3.7115,1.8679,-.3649;.0778,.4807,-.6745;-1.4089,-.8684,-1.016;-1.0472,-.9057,-2.0444;-2.647,-.1085,-.8234;-1.1467,-2.0917,-.2729;-3.3068,-.0196,.1868;-2.9425,.6103,-1.9318;-.1283,-2.7733,-.4082;-2.0677,-2.4419,.6281;-4.0912,1.4275,-1.8454;-1.741,-3.5183,1.4869;-4.1996,1.9141,-2.8222;-4.9886,.8314,-1.6216;-3.9847,2.1884,-1.057;-.826,-3.2908,2.0539;-2.5914,-3.6268,2.1696;-1.5875,-4.4484,.9212;1.164,1.2721,.4057;.4088,2.3678,2.3779;.4593,3.2951,1.1836;1.2449,2.5627,3.0756;-.5328,2.4748,2.9369;.6877,4.3564,1.3801;-.5355,3.2386,.6981;1.5081,2.6834,.2919;1.5423,3.4452,-.3717;.5201,1.0355,1.7653;-.3912,.5968,1.8159; /NFS_R1/Userdata/grufor/SOFTWARE/g16/g16 Output=87_2COOME_TS.log chk=87_2COOME_TS.chk Mem=24000MB NProc=12 #p wB97xD/Def2SVP opt=(ts,noeigentest,calcfc) freq SCF=(XQC) gfprint g 1/5=1,10=4,11=1,18=20,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=43,7=101,11=2,24=110,25=1,30=1,71=2,74=-58,140=1/1,2,3 4//1 5/5=2,8=3,13=1,38=5/2,8 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1,13=1/2 6/7=2,8=2,9=2,10=2,28=1/1 7/10=1,25=1/1,2,3,16 1/5=1,10=4,11=1,18=20,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=43,7=101,11=2,25=1,30=1,71=1,74=-58/1,2,3 4/5=5,16=3,69=1/1 5/5=2,8=3,13=1,38=5/2,8 7//1,2,3,16 1/5=1,11=1,18=20,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 coments 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 12 14 12 12 14 1 1 1 1 1 12 1 12 12 16 16 16 16 12 12 1 1 1 1 1 1 11 12 12 1 1 1 1 14 1 14 1 12.0000000 14.0030740 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 11.0093053 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 14.0030740 1.0078250 14.0030740 1.0078250 0 2 0 0 2 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 1 1 1 1 1 1 3 0 0 1 1 1 1 2 1 2 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /NFS_R1/Userdata/grufor/SOFTWARE/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 1 1 1 2 2 3 3 4 4 5 6 10 10 11 11 11 13 13 14 14 16 18 19 19 19 20 20 20 27 27 28 28 28 28 29 29 29 34 36 2 5 27 3 6 4 7 5 8 9 17 11 27 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 34 36 29 30 31 36 32 33 34 35 37 1.3388 1.3438 1.6172 1.3769 1.0504 1.3604 1.0855 1.376 1.0851 1.0153 2.1586 2.0364 1.7242 1.0908 1.4654 1.4552 1.2098 1.3537 1.2329 1.3352 1.4124 1.4152 1.0966 1.1003 1.1009 1.1003 1.0959 1.0994 1.4571 1.5228 1.5129 1.1062 1.1002 1.4706 1.1033 1.1083 1.5065 1.0109 1.0127 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 2 2 5 1 1 3 2 2 4 3 3 5 1 1 4 2 11 10 10 10 12 12 13 11 11 15 11 11 17 13 6 14 16 16 16 21 21 22 18 18 18 24 24 25 1 1 1 10 10 34 29 29 29 30 30 31 28 28 28 32 32 33 27 27 29 27 27 28 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 10 11 11 11 11 11 11 13 13 13 14 14 14 16 17 18 19 19 19 19 19 19 20 20 20 20 20 20 27 27 27 27 27 27 28 28 28 28 28 28 29 29 29 29 29 29 34 34 34 36 36 36 5 27 27 3 6 6 4 7 7 5 8 8 4 9 9 17 27 12 13 14 13 14 14 15 16 16 17 18 18 19 14 20 21 22 23 22 23 23 24 25 26 25 26 26 10 34 36 34 36 36 30 31 36 31 36 36 32 33 34 33 34 34 29 35 35 28 37 37 105.6641 133.4624 120.7412 110.2322 122.8056 126.9341 107.2956 122.2632 130.4118 105.5068 131.2361 123.2569 111.2596 120.0435 128.6964 164.2217 150.3459 86.4814 104.5523 109.8606 114.9498 113.137 121.4054 127.4879 110.616 121.7132 123.8859 116.1545 119.9269 115.7631 113.7957 116.7271 106.4225 111.2419 111.4117 109.9309 109.9229 107.9166 110.3312 105.917 111.3161 110.1607 108.9062 110.1876 91.2081 111.2331 119.7697 122.9827 102.8093 108.6672 111.3828 111.7122 102.9361 108.0163 111.4203 111.383 117.1225 106.5341 103.9822 108.2343 110.6053 110.1763 100.5215 142.1142 96.0911 105.2622 119.5005 107.6697 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 5 5 27 27 2 2 27 27 2 2 2 5 5 5 1 1 6 6 1 3 2 2 7 7 3 3 8 8 2 27 27 27 11 11 11 10 10 12 12 14 14 10 10 12 12 13 13 11 15 11 18 11 17 13 13 13 14 14 14 1 1 10 10 36 36 1 1 10 10 34 34 30 30 30 31 31 31 36 36 36 29 29 30 30 31 31 28 28 32 32 33 33 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 4 4 4 4 6 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 13 13 14 14 14 14 16 16 16 18 18 18 27 27 27 27 27 27 27 27 27 27 27 27 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 29 29 29 29 29 29 2 2 2 2 5 5 5 5 27 27 27 27 27 27 3 3 3 3 6 6 4 4 4 4 5 5 5 5 17 11 11 11 27 27 27 13 13 13 13 13 13 14 14 14 14 14 14 16 16 17 17 18 18 19 19 19 20 20 20 34 34 34 34 34 34 36 36 36 36 36 36 29 29 29 29 29 29 29 29 29 36 36 36 36 36 36 34 34 34 34 34 34 3 6 3 6 4 9 4 9 10 34 36 10 34 36 4 7 4 7 17 17 5 8 5 8 1 9 1 9 14 12 13 14 1 34 36 15 16 15 16 15 16 17 18 17 18 17 18 19 19 6 6 20 20 21 22 23 24 25 26 29 35 29 35 29 35 28 37 28 37 28 37 32 33 34 32 33 34 32 33 34 27 37 27 37 27 37 27 35 27 35 27 35 2.1095 -176.0844 177.7922 -0.4017 -1.692 178.5352 -178.0471 2.1802 -44.4055 -170.7299 61.112 130.7567 4.4323 -123.7257 -1.7741 -179.9926 176.3267 -1.8918 72.6759 -105.2039 0.6771 -179.513 178.6985 -1.4915 0.6276 -179.6244 -179.2015 0.5465 -65.8094 -155.8998 89.2235 -42.5491 101.3554 -142.1875 -19.5816 -94.2212 80.8806 172.8646 -12.0335 30.51 -154.3882 -58.5083 119.4042 36.2749 -145.8126 179.2466 -2.841 -177.6014 -2.1694 53.3771 -124.4608 -171.376 6.6244 -178.6184 -58.8918 61.5692 58.5984 177.7994 -62.4329 -162.4562 83.0594 91.3362 -23.1482 -28.5469 -143.0313 133.7307 -105.2136 -127.3547 -6.299 4.4116 125.4672 -43.1537 -164.4046 79.1919 77.7388 -43.5121 -159.9156 -162.6491 76.1 -40.3035 21.7932 -106.7151 -97.6762 133.8155 141.633 13.1247 42.1482 -172.0488 168.6995 -45.4975 -71.6769 74.1262 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 0.10000e-02 0.10000e-05 F 375 A 356 A 601 375 1463.3904956633 37 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Berny optimization. saddle point Step number 130 out of a maximum of 209 All quantities printed in internal units (Hartrees-Bohrs-Radians) -0.00094 0.00088 0.00131 0.00219 0.00287 0.00347 0.00400 0.00516 0.00753 0.00810 0.00877 0.01043 0.01082 0.01264 0.01568 0.01792 0.01908 0.02054 0.02128 0.02337 0.02357 0.02504 0.02758 0.03525 0.04071 0.04185 0.04386 0.04546 0.04628 0.04845 0.05280 0.05441 0.05593 0.05651 0.06068 0.06963 0.07343 0.07473 0.07721 0.08045 0.08244 0.08259 0.08493 0.08499 0.08611 0.09146 0.09733 0.10393 0.10536 0.10669 0.11544 0.13184 0.13486 0.14583 0.14967 0.16666 0.18540 0.18833 0.18874 0.18979 0.19254 0.21357 0.21855 0.22626 0.23396 0.23672 0.25783 0.25968 0.26324 0.27456 0.27730 0.28680 0.29412 0.30283 0.32584 0.32632 0.33559 0.34201 0.34259 0.34327 0.34353 0.34548 0.35309 0.35516 0.36273 0.36458 0.36997 0.37337 0.38318 0.38403 0.38550 0.39829 0.39999 0.41963 0.46294 0.47138 0.47565 0.47655 0.48039 0.48128 0.48452 0.50659 0.59718 0.79020 0.89892 1.433497158e-11 0.00000000e+00 Linear search 1 2 0.00015475 0.00000001 0.00000000 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 2.52564 2.53074 3.07589 2.60130 1.96518 2.57503 2.05119 2.60235 2.05072 1.92470 3.20853 3.26647 2.54631 2.05971 2.76468 2.73911 2.28649 2.54951 2.32390 2.51271 2.67089 2.67720 2.07174 2.07895 2.07986 2.08093 2.07044 2.07593 2.84732 2.84653 2.90034 2.09153 2.07949 2.75907 2.08660 2.09588 2.75397 1.91685 1.92177 1.84719 2.31562 2.12038 1.92911 2.10771 2.24621 1.86391 2.13967 2.27960 1.84600 2.28659 2.15060 1.93852 2.06782 2.27684 2.78266 2.59505 1.67062 1.64375 1.71605 2.04553 2.00845 2.17107 2.21648 1.93126 2.13293 2.15241 2.01285 2.11688 2.02199 2.08993 2.03999 1.85637 1.94061 1.93933 1.92024 1.92093 1.88667 1.90798 1.85059 1.94410 1.91780 1.91408 1.92835 1.76855 1.89335 2.04631 2.05116 1.86059 1.85285 1.90113 1.95887 1.85696 1.86902 1.92406 1.95388 1.95706 1.91753 1.78560 1.87848 1.96195 1.96357 1.86460 2.06455 1.98858 1.85110 1.97178 1.92541 0.00941 3.13374 -3.13275 -0.00841 -0.00826 3.13691 3.13382 -0.00420 -0.71107 -2.88096 1.30530 2.42988 0.26000 -1.83692 -0.00712 3.13680 -3.12971 0.01421 -0.25109 2.86979 0.00184 -3.13868 3.14086 0.00034 0.00399 3.14146 -3.13857 -0.00110 0.39387 -2.51383 1.71161 -0.48173 1.65665 -2.56763 -0.49288 -1.32822 1.73793 -3.04948 0.01666 0.47046 -2.74658 -1.32343 1.76970 0.42799 -2.76207 -3.08479 0.00834 -3.05503 0.01536 1.01071 -2.07962 -2.89614 0.19806 3.13424 -1.05858 1.04375 1.16691 -3.04973 -0.95115 -2.55756 1.45480 1.73484 -0.53598 -0.34401 -2.61483 2.07426 -2.09770 -2.24385 -0.13262 -0.04390 2.06733 -0.63599 -2.72414 1.46998 1.43063 -0.65752 -2.74659 -2.70988 1.48516 -0.60391 0.39555 -1.74535 -1.66325 2.47904 2.54136 0.40047 0.56933 2.88252 2.67190 -1.29809 -1.48723 0.82596 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00006 -0.00004 0.00004 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00002 0.00002 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00010 0.00004 -0.00003 -0.00001 0.00004 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00006 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00002 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00002 0.00003 -0.00001 0.00001 -0.00002 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00001 0.00001 0.00001 0.00003 0.00007 0.00009 -0.00001 0.00001 -0.00006 -0.00004 -0.00001 -0.00002 -0.00005 0.00006 0.00005 0.00003 -0.00000 0.00001 -0.00003 -0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00002 -0.00001 0.00000 -0.00002 -0.00000 -0.00002 -0.00014 -0.00015 -0.00014 -0.00015 0.00008 0.00011 0.00011 -0.00000 -0.00001 0.00003 0.00003 0.00004 0.00004 0.00004 0.00006 0.00003 0.00005 0.00002 0.00004 0.00002 0.00001 0.00007 0.00005 -0.00014 -0.00012 -0.00002 -0.00003 -0.00002 -0.00000 0.00000 -0.00000 -0.00002 -0.00001 -0.00002 -0.00002 -0.00001 -0.00001 0.00004 0.00005 -0.00000 0.00001 0.00000 0.00001 -0.00001 -0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00000 0.00001 -0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00006 -0.00004 0.00004 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00002 0.00002 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00010 0.00004 -0.00003 -0.00001 0.00004 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00006 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00002 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00002 0.00003 -0.00001 0.00001 -0.00002 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00001 0.00001 0.00001 0.00003 0.00007 0.00009 -0.00001 0.00001 -0.00006 -0.00004 -0.00001 -0.00002 -0.00005 0.00006 0.00005 0.00003 -0.00000 0.00001 -0.00003 -0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00002 -0.00001 0.00000 -0.00002 -0.00000 -0.00002 -0.00014 -0.00015 -0.00014 -0.00015 0.00008 0.00011 0.00011 -0.00000 -0.00001 0.00003 0.00003 0.00004 0.00004 0.00004 0.00006 0.00003 0.00005 0.00002 0.00004 0.00002 0.00001 0.00007 0.00005 -0.00014 -0.00012 -0.00002 -0.00003 -0.00002 -0.00000 0.00000 -0.00000 -0.00002 -0.00001 -0.00002 -0.00002 -0.00001 -0.00001 0.00004 0.00005 -0.00000 0.00001 0.00000 0.00001 -0.00001 -0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00000 0.00001 -0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 2.52564 2.53074 3.07588 2.60130 1.96518 2.57503 2.05119 2.60236 2.05072 1.92470 3.20859 3.26644 2.54635 2.05972 2.76468 2.73912 2.28649 2.54951 2.32390 2.51271 2.67089 2.67720 2.07174 2.07895 2.07986 2.08093 2.07044 2.07593 2.84731 2.84652 2.90034 2.09153 2.07949 2.75907 2.08660 2.09588 2.75397 1.91685 1.92177 1.84719 2.31560 2.12039 1.92911 2.10771 2.24622 1.86391 2.13967 2.27960 1.84600 2.28659 2.15059 1.93852 2.06783 2.27684 2.78276 2.59509 1.67059 1.64374 1.71609 2.04554 2.00844 2.17107 2.21648 1.93126 2.13293 2.15241 2.01286 2.11688 2.02199 2.08987 2.04000 1.85637 1.94061 1.93933 1.92024 1.92093 1.88667 1.90800 1.85059 1.94410 1.91780 1.91407 1.92835 1.76854 1.89338 2.04630 2.05117 1.86057 1.85286 1.90113 1.95887 1.85696 1.86903 1.92406 1.95388 1.95706 1.91753 1.78560 1.87848 1.96195 1.96357 1.86459 2.06455 1.98858 1.85110 1.97178 1.92541 0.00941 3.13377 -3.13268 -0.00832 -0.00827 3.13692 3.13375 -0.00424 -0.71108 -2.88098 1.30526 2.42995 0.26005 -1.83690 -0.00712 3.13681 -3.12974 0.01419 -0.25110 2.86980 0.00184 -3.13867 3.14084 0.00033 0.00400 3.14144 -3.13857 -0.00113 0.39373 -2.51397 1.71146 -0.48188 1.65673 -2.56752 -0.49278 -1.32822 1.73793 -3.04945 0.01669 0.47050 -2.74654 -1.32339 1.76976 0.42802 -2.76202 -3.08477 0.00838 -3.05501 0.01537 1.01078 -2.07957 -2.89628 0.19794 3.13421 -1.05860 1.04372 1.16691 -3.04973 -0.95115 -2.55758 1.45479 1.73482 -0.53600 -0.34402 -2.61484 2.07429 -2.09765 -2.24385 -0.13261 -0.04390 2.06734 -0.63600 -2.72415 1.46996 1.43062 -0.65753 -2.74660 -2.70989 1.48515 -0.60392 0.39555 -1.74535 -1.66324 2.47904 2.54137 0.40047 0.56934 2.88253 2.67192 -1.29808 -1.48722 0.82598 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000004 0.000001 0.000850 0.000155 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.596580e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 1 1 1 2 2 3 3 4 4 5 6 10 10 11 11 11 13 13 14 14 16 18 19 19 19 20 20 20 27 27 28 28 28 28 29 29 29 34 36 2 5 27 3 6 4 7 5 8 9 17 11 27 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 34 36 29 30 31 36 32 33 34 35 37 1.3365 1.3392 1.6277 1.3765 1.0399 1.3626 1.0854 1.3771 1.0852 1.0185 1.6979 1.7285 1.3474 1.09 1.463 1.4495 1.21 1.3491 1.2298 1.3297 1.4134 1.4167 1.0963 1.1001 1.1006 1.1012 1.0956 1.0985 1.5067 1.5063 1.5348 1.1068 1.1004 1.46 1.1042 1.1091 1.4573 1.0144 1.017 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 2 2 5 1 1 3 2 2 4 3 3 5 1 1 4 2 11 10 10 10 12 12 13 11 11 15 11 11 17 13 6 14 16 16 16 21 21 22 18 18 18 24 24 25 1 1 1 10 10 34 29 29 29 30 30 31 28 28 28 32 32 33 27 27 29 27 27 28 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 10 11 11 11 11 11 11 13 13 13 14 14 14 16 17 18 19 19 19 19 19 19 20 20 20 20 20 20 27 27 27 27 27 27 28 28 28 28 28 28 29 29 29 29 29 29 34 34 34 36 36 36 5 27 27 3 6 6 4 7 7 5 8 8 4 9 9 17 27 12 13 14 13 14 14 15 16 16 17 18 18 19 14 20 21 22 23 22 23 23 24 25 26 25 26 26 10 34 36 34 36 36 30 31 36 31 36 36 32 33 34 33 34 34 29 35 35 28 37 37 105.8361 132.6753 121.4886 110.5297 120.7629 128.6986 106.7944 122.594 130.6114 105.7681 131.0118 123.22 111.0689 118.4775 130.4532 159.4349 148.6854 95.7192 94.18 98.3227 117.2004 115.0756 124.3934 126.995 110.6529 122.2081 123.324 115.3281 121.2884 115.8513 119.7442 116.8831 106.3621 111.1885 111.1155 110.0217 110.0612 108.0982 109.3191 106.031 111.389 109.882 109.6686 110.4865 101.3305 108.4809 117.2452 117.523 106.6041 106.1607 108.927 112.235 106.3962 107.0872 110.2404 111.949 112.1313 109.8666 102.3073 107.629 112.4114 112.5044 106.8335 118.2901 113.937 106.0604 112.9745 110.3177 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 5 5 27 27 2 2 27 27 2 2 2 5 5 5 1 1 6 6 1 3 2 2 7 7 3 3 8 8 2 27 27 27 11 11 11 10 10 12 12 14 14 10 10 12 12 13 13 11 15 11 18 11 17 13 13 13 14 14 14 1 1 10 10 36 36 1 1 10 10 34 34 30 30 30 31 31 31 36 36 36 29 29 30 30 31 31 28 28 32 32 33 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 4 4 4 4 6 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 13 13 14 14 14 14 16 16 16 18 18 18 27 27 27 27 27 27 27 27 27 27 27 27 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 29 29 29 29 29 2 2 2 2 5 5 5 5 27 27 27 27 27 27 3 3 3 3 6 6 4 4 4 4 5 5 5 5 17 11 11 11 27 27 27 13 13 13 13 13 13 14 14 14 14 14 14 16 16 17 17 18 18 19 19 19 20 20 20 34 34 34 34 34 34 36 36 36 36 36 36 29 29 29 29 29 29 29 29 29 36 36 36 36 36 36 34 34 34 34 34 3 6 3 6 4 9 4 9 10 34 36 10 34 36 4 7 4 7 17 17 5 8 5 8 1 9 1 9 14 12 13 14 1 34 36 15 16 15 16 15 16 17 18 17 18 17 18 19 19 6 6 20 20 21 22 23 24 25 26 29 35 29 35 29 35 28 37 28 37 28 37 32 33 34 32 33 34 32 33 34 27 37 27 37 27 37 27 35 27 35 27 0.5391 179.5502 -179.4932 -0.482 -0.4733 179.7315 179.5545 -0.2407 -40.7416 -165.0666 74.7884 139.222 14.897 -105.248 -0.4079 179.7251 -179.3191 0.8139 -14.3865 164.4269 0.1055 -179.833 179.9579 0.0194 0.2288 179.9922 -179.8266 -0.0633 22.5672 -144.0317 98.0679 -27.6009 94.9189 -147.1145 -28.2401 -76.1013 99.5761 -174.7226 0.9548 26.9552 -157.3674 -75.8269 101.3962 24.5221 -158.2548 -176.7454 0.4777 -175.0402 0.8799 57.9095 -119.1533 -165.9366 11.3482 179.5786 -60.652 59.8022 66.8593 -174.7367 -54.4967 -146.5376 83.354 99.3992 -30.7092 -19.7104 -149.8188 118.8462 -120.1893 -128.563 -7.5985 -2.5151 118.4495 -36.4395 -156.0817 84.2235 81.9691 -37.6731 -157.3679 -155.2645 85.0933 -34.6015 22.6632 -100.0011 -95.2973 142.0384 145.6094 22.9451 32.6201 165.1563 153.0888 -74.3749 -85.212 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 Grimme-D2 -0.0236058960 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 250.94240000000002 AuxInfo=1/0/N:3,4,28,29,1,27,2,5,36,34;19,20,11,13,14,15,17,16,18;10/E:(1,2)(3,4)(7,8)(9,10);(1,2)(4,5)(6,7)(8,9);/CRV:1.3,2.3,5.3;3.3,4.3,5.3,6.1,7.1;/rA:37nC3NC3C3NHHHHH0C3HC3C3O1OO1OCCHHHHHHBCCHHHHNHNH/rB:s1;s2;s3;s1s4;s2;s3;s4;s5;;;s11;s11;s11;s13;s13;s14;s14;s16;s18;s19;s19;s19;s20;s20;s20;s1;;s28;s28;s28;s29;s29;s27s29;s34;s27s28;s36;/rC:2.3861,.3303,-.0787;2.5011,-.9836,-.3086;3.7677,-1.2789,-.7605;4.4489,-.1047,-.8507;3.5673,.8652,-.4318;1.7043,-1.6558,-.1797;4.0736,-2.2906,-1.0078;5.4639,.1108,-1.1683;3.7115,1.8679,-.3649;.0778,.4807,-.6745;-1.4089,-.8684,-1.016;-1.0472,-.9057,-2.0444;-2.647,-.1085,-.8234;-1.1467,-2.0917,-.2729;-3.3068,-.0196,.1868;-2.9425,.6103,-1.9318;-.1283,-2.7733,-.4082;-2.0677,-2.4419,.6281;-4.0912,1.4275,-1.8454;-1.741,-3.5183,1.4869;-4.1996,1.9141,-2.8222;-4.9886,.8314,-1.6216;-3.9847,2.1884,-1.057;-.826,-3.2908,2.054;-2.5914,-3.6268,2.1696;-1.5875,-4.4484,.9212;1.164,1.2721,.4057;.4088,2.3678,2.3779;.4593,3.2951,1.1836;1.2449,2.5627,3.0756;-.5328,2.4748,2.9369;.6877,4.3564,1.3801;-.5355,3.2386,.6981;1.5081,2.6834,.2919;1.5423,3.4452,-.3717;.5201,1.0355,1.7653;-.3912,.5968,1.8159; 0.000000 1.338816 0.000000 2.227817 1.376869 0.000000 2.245067 2.204580 1.360393 0.000000 1.343823 2.137711 2.178322 1.376037 0.000000 2.102253 1.050362 2.176481 3.223131 3.144696 0.000000 3.252681 2.160966 1.085512 2.223433 3.247631 2.588831 0.000000 3.272321 3.273352 2.230317 1.085135 2.169955 4.269928 2.779488 0.000000 2.050055 3.098267 3.172025 2.161263 1.015258 4.059451 4.223469 2.608402 0.000000 2.388671 2.854877 4.088874 4.413643 3.518939 2.730327 4.874140 5.421298 3.901779 0.000000 4.088715 3.975181 5.199204 5.909729 5.301785 3.318385 5.663989 6.943903 5.842083 2.036412 0.000000 4.144752 3.950875 4.997117 5.680999 5.198987 3.407408 5.405089 6.647944 5.758350 2.250368 1.090797 0.000000 5.106813 5.247309 6.520979 7.096008 6.302281 4.662916 7.068414 8.121225 6.674367 2.791788 1.465423 2.164684 0.000000 4.287732 3.812571 5.005025 5.965974 5.566855 2.885670 5.275495 7.025153 6.268107 2.877154 1.455181 2.134197 2.547042 0.000000 5.709811 5.908168 7.247912 7.825248 6.958298 5.284198 7.813736 8.875703 7.288564 3.528120 2.401872 3.296820 1.209798 3.028398 0.000000 5.648519 5.899793 7.068767 7.504167 6.685155 5.458687 7.648125 8.455724 6.950676 3.274080 2.318800 2.429571 1.353673 3.643843 2.240042 0.000000 4.007880 3.182250 4.187679 5.316753 5.186143 2.158622 4.271799 6.337848 6.023828 3.271327 2.374438 2.647486 3.690192 1.232852 4.247317 4.657149 0.000000 5.293540 4.886550 6.110129 7.079252 6.619169 3.936877 6.357234 8.152832 7.277371 3.852513 2.369200 3.247104 2.808480 1.335178 2.756453 4.078516 2.223749 0.000000 6.802957 7.185638 8.382358 8.733298 7.808084 6.772655 9.010507 9.669110 7.954101 4.432611 3.626765 3.840445 2.342922 4.850545 2.615178 1.412385 5.951150 5.018497 0.000000 5.856283 5.257763 6.357072 7.445249 7.146603 4.256407 6.445144 8.492992 7.884798 4.896065 3.660119 4.447096 4.217220 2.341999 4.047581 5.493234 2.597550 1.415165 6.409998 0.000000 7.308008 7.721053 8.827483 9.097259 8.193833 7.388043 9.456096 9.968514 8.284121 4.996385 4.335033 4.300450 3.239834 5.644993 3.686483 2.018221 6.661387 5.951856 1.096632 7.356852 0.000000 7.550981 7.817506 9.048069 9.515081 8.638220 7.284217 9.604492 10.487075 8.851256 5.166066 4.008717 4.327878 2.646371 5.012360 2.612057 2.081260 6.171548 4.930255 1.100322 6.255311 1.798881 0.000000 6.707991 7.258641 8.497685 8.742282 7.692487 6.921897 9.219569 9.674988 7.733930 4.423456 3.997545 4.379188 2.668267 5.195089 2.623328 2.083746 6.317530 5.287237 1.100871 6.638679 1.799242 1.779861 0.000000 5.289427 4.687672 5.750779 6.812646 6.538455 3.750339 5.863457 7.843213 7.283633 4.741839 3.953748 4.746966 4.660701 2.637159 4.510134 5.965191 2.610918 2.072525 6.937460 1.100296 7.889769 6.915843 7.048196 0.000000 6.744546 6.249899 7.384893 8.431628 8.054422 5.277996 7.503484 9.486734 8.737355 5.664351 4.376634 5.248473 4.619497 3.226327 4.177994 5.907413 3.666104 2.013528 6.626905 1.095888 7.629284 6.324206 6.794814 1.800775 0.000000 6.294904 5.498577 6.446188 7.644982 7.525732 4.455035 6.358080 8.653032 8.344428 5.442022 4.074463 4.651629 4.795966 2.678460 4.807277 5.963707 2.588991 2.083832 6.960514 1.099354 7.830546 6.775652 7.328535 1.789724 1.800297 0.000000 1.617168 2.717774 3.827141 3.776897 2.577361 3.034295 4.812127 4.723914 2.727395 1.724221 3.636292 3.954090 4.235608 4.137019 4.658753 4.771231 4.324054 4.928218 5.719129 5.705755 6.292850 6.492917 5.430324 5.243680 6.419733 6.368715 0.000000 3.754469 4.777735 5.867710 5.732309 4.486437 4.940500 6.825965 6.574436 4.322101 3.603892 5.029453 5.691407 5.071322 5.416036 4.930124 5.735280 5.872090 5.685808 6.242674 6.329414 6.963133 6.891193 5.579828 5.800732 6.706662 7.250338 2.379161 0.000000 3.754467 4.970199 5.970465 5.622650 4.263044 5.283897 7.004663 6.381003 3.874477 3.393947 5.065828 5.507765 5.026045 5.806735 5.115039 5.337167 6.301120 6.293472 5.776625 7.166273 6.297532 6.604368 5.098447 6.766298 7.628319 8.013729 2.279082 1.512941 0.000000 4.029346 5.060353 5.986492 5.726802 4.536150 5.348235 6.944781 6.466991 4.289927 4.445232 5.962893 6.595251 6.122439 6.212562 5.977557 6.813191 6.518870 6.481551 7.347027 6.958369 8.052794 7.994818 6.675893 6.292523 7.338143 7.862572 2.966550 1.106226 2.175580 0.000000 4.713034 5.630127 6.801126 6.768807 5.545200 5.637333 7.712852 7.642046 5.411446 4.170327 5.250697 6.041968 5.028234 5.615423 4.634676 5.743441 6.236668 5.644582 6.052263 6.283318 6.850373 6.582930 5.286733 5.840168 6.485107 7.287425 3.276025 1.100213 2.175098 1.785235 0.000000 4.606778 5.886940 6.769444 6.247010 4.874815 6.293871 7.832581 6.879813 4.287331 4.428855 6.118454 6.513564 5.992565 6.904771 6.043915 6.179004 7.395707 7.373972 6.466863 8.241422 6.892787 7.325013 5.698363 7.824604 8.666442 9.105598 3.269465 2.242354 1.103274 2.530263 2.730079 0.000000 4.194895 5.297272 6.407222 6.198439 4.872601 5.453598 7.397661 7.018473 4.587544 3.141053 4.535199 4.995785 4.239837 5.452382 4.307778 4.429200 6.126339 5.883952 4.732090 6.908733 5.251007 5.568261 4.010074 6.674929 7.316095 7.761834 2.615475 2.114660 1.108326 3.046096 2.365449 1.791878 0.000000 2.538736 3.846218 4.681110 4.210384 2.840722 4.369097 5.745553 4.939482 2.439520 2.798482 4.778550 4.986871 5.128679 5.492596 5.522692 5.389788 5.739609 6.258484 6.123500 7.102516 6.547333 7.021245 5.677650 6.651569 7.755648 7.800095 1.457106 2.379029 1.506453 2.798718 3.347361 2.157880 2.156278 0.000000 3.240458 4.531869 5.236473 4.613018 3.280347 5.107173 6.301732 5.208809 2.682036 3.320407 5.266147 5.332344 5.512131 6.156187 5.985875 5.530291 6.439120 6.977898 6.162759 7.919944 6.428035 7.144715 5.709436 7.540983 8.576685 8.589373 2.338834 3.163289 1.901183 3.570845 4.024245 2.151653 2.346187 1.010898 0.000000 2.716545 3.507456 4.720501 4.855796 3.760483 3.525399 5.601796 5.822520 3.926227 2.540888 3.883503 4.553934 4.247453 4.088061 4.272022 5.083175 4.433030 4.481415 5.869846 5.091935 6.640265 6.469812 5.439518 4.540070 5.619818 5.935344 1.522802 1.470551 2.334018 2.138800 2.133724 3.347328 2.665796 2.421257 3.379099 0.000000 3.372543 3.921310 5.239545 5.570397 4.559991 3.667127 6.020340 6.589651 4.817001 2.536881 3.346993 4.194023 3.542929 3.487441 3.396303 4.533727 4.046424 3.668223 5.271221 4.343334 6.144267 5.745247 4.868353 3.919046 4.775450 5.261748 2.205266 2.022882 2.898932 2.851012 2.191693 3.935534 2.872140 3.206845 4.078943 1.012675 0.000000 C10H18BN4O4(2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 250.94240000000002 AuxInfo=1/0/N:3,4,28,29,1,27,2,5,36,34;19,20,11,13,14,15,17,16,18;10/E:(1,2)(3,4)(7,8)(9,10);(1,2)(4,5)(6,7)(8,9);/CRV:1.3,2.3,5.3;3.3,4.3,5.3,6.1,7.1;/rA:37nC3NC3C3NHHHHH0C3HC3C3O1OO1OCCHHHHHHBCCHHHHNHNH/rB:s1;s2;s3;s1s4;s2;s3;s4;s5;;;s11;s11;s11;s13;s13;s14;s14;s16;s18;s19;s19;s19;s20;s20;s20;s1;;s28;s28;s28;s29;s29;s27s29;s34;s27s28;s36;/rC:2.4175,-.2356,-.2607;2.2137,-1.5518,-.3963;3.3392,-2.1577,-.9081;4.2578,-1.1799,-1.1335;3.6554,-.0096,-.7321;1.2993,-2.0131,-.1631;3.3874,-3.2255,-1.097;5.2653,-1.2236,-1.5341;4.0271,.9349,-.7521;.1614,.4077,-.7101;-1.6144,-.5797,-.8466;-1.3568,-.7604,-1.891;-2.6289,.4554,-.6303;-1.5742,-1.7842,-.0311;-3.1656,.7539,.4121;-2.8453,1.1559,-1.7682;-.7506,-2.6892,-.1818;-2.4726,-1.8584,.9538;-3.7689,2.2197,-1.668;-2.3272,-2.9282,1.8687;-3.8453,2.6594,-2.6697;-4.7559,1.8612,-1.3394;-3.4286,2.981,-.9492;-1.3407,-2.8847,2.354;-3.1205,-2.7969,2.6132;-2.4348,-3.9005,1.3671;1.4837,.9898,.231;1.1611,2.3452,2.1595;1.3204,3.1633,.8969;2.0745,2.383,2.7825;.3176,2.6996,2.7705;1.7977,4.153,.9957;.3018,3.3091,.485;2.1266,2.2743,-.0136;2.2767,2.967,-.7344;.918,.9893,1.6448;-.0614,.7765,1.7899; 0.3988213 0.2431326 0.1909221 -19.27660 -19.26761 -19.21728 -19.20435 -14.54000 -14.53445 -14.41713 -14.39216 -10.40458 -10.39073 -10.38500 -10.37242 -10.37078 -10.33596 -10.33029 -10.31054 -10.30220 -10.29172 -6.86609 -1.18031 -1.17302 -1.16664 -1.07489 -1.06977 -1.03125 -0.99685 -0.91424 -0.89382 -0.85659 -0.80525 -0.77800 -0.77428 -0.76048 -0.74683 -0.69213 -0.66057 -0.65273 -0.63398 -0.62673 -0.61048 -0.59039 -0.58303 -0.56966 -0.56228 -0.55901 -0.55708 -0.55164 -0.54845 -0.54465 -0.52952 -0.51750 -0.49511 -0.48126 -0.48002 -0.46842 -0.45831 -0.44862 -0.44657 -0.43821 -0.43273 -0.42013 -0.41870 -0.41268 -0.39625 -0.37040 -0.35883 -0.34928 -0.34361 -0.32607 -0.32250 -0.29125 -0.23866 0.05631 0.07310 0.10035 0.11765 0.13661 0.15120 0.15905 0.16510 0.17148 0.17592 0.18558 0.18780 0.19232 0.20136 0.21037 0.22528 0.22671 0.22755 0.23397 0.23908 0.24077 0.24243 0.24631 0.24893 0.25890 0.26308 0.27164 0.28063 0.30176 0.32645 0.33503 0.34105 0.34968 0.35512 0.37142 0.39199 0.39834 0.41910 0.42040 0.44412 0.44564 0.48031 0.48801 0.50301 0.51404 0.51861 0.53107 0.54602 0.54967 0.55104 0.55312 0.55977 0.56812 0.57245 0.57925 0.58397 0.59555 0.61175 0.61449 0.61666 0.63217 0.64113 0.64617 0.65095 0.67279 0.68940 0.70498 0.70774 0.70937 0.71296 0.72142 0.72765 0.73043 0.73787 0.74132 0.74668 0.74848 0.75375 0.75753 0.76000 0.76488 0.77534 0.78176 0.78519 0.78692 0.79478 0.80764 0.81228 0.81771 0.82232 0.82646 0.83960 0.84744 0.86009 0.87279 0.87861 0.88943 0.90446 0.91495 0.92334 0.95745 0.97203 0.97246 0.98660 1.00785 1.03512 1.04454 1.05993 1.07241 1.08214 1.09576 1.12024 1.12234 1.13159 1.15219 1.15371 1.16484 1.19942 1.20838 1.21445 1.22168 1.24153 1.24531 1.25529 1.26526 1.28323 1.29402 1.32908 1.34041 1.34981 1.35366 1.36098 1.37054 1.38546 1.38760 1.41374 1.42828 1.43035 1.44501 1.47027 1.47321 1.49907 1.54834 1.55669 1.56313 1.56835 1.58706 1.59492 1.61221 1.61859 1.63754 1.64726 1.66788 1.67633 1.69168 1.69831 1.70102 1.71526 1.73492 1.76229 1.77791 1.78359 1.79999 1.80407 1.81264 1.82403 1.83659 1.83851 1.84123 1.85471 1.86599 1.87456 1.88122 1.88890 1.89640 1.91228 1.92519 1.93163 1.94220 1.94517 1.95070 1.95409 1.96286 1.97172 1.98780 1.99374 1.99625 1.99791 2.00862 2.01430 2.01791 2.02973 2.03508 2.04756 2.05416 2.06961 2.07697 2.09309 2.09334 2.12542 2.13513 2.17018 2.18375 2.19404 2.20862 2.21899 2.24732 2.25365 2.26938 2.29003 2.29821 2.31468 2.32852 2.33830 2.36669 2.38780 2.41436 2.41670 2.41763 2.44224 2.45135 2.47381 2.48352 2.50721 2.51492 2.52201 2.54419 2.55421 2.58675 2.63104 2.64473 2.68827 2.73130 2.74069 2.75162 2.75877 2.76570 2.76823 2.77534 2.78776 2.79765 2.80175 2.80974 2.81739 2.84595 2.88015 2.89243 2.90285 2.91314 2.91945 2.92442 2.94173 2.96181 2.97973 2.98267 3.01009 3.01996 3.02554 3.04282 3.05443 3.09767 3.09935 3.10578 3.11373 3.14232 3.14537 3.17036 3.18446 3.18877 3.25930 3.29973 3.32443 3.35843 3.39613 3.45356 3.54499 3.55114 3.58458 3.59692 3.68817 3.69605 3.74196 3.78830 3.81624 -19.27604 -19.26736 -19.21581 -19.20274 -14.53971 -14.53414 -14.41617 -14.39126 -10.40482 -10.39120 -10.38449 -10.37233 -10.37078 -10.33596 -10.33031 -10.31056 -10.30222 -10.28513 -6.86517 -1.17875 -1.17241 -1.16559 -1.07213 -1.06710 -1.03049 -0.99490 -0.91184 -0.89313 -0.84642 -0.80451 -0.77678 -0.77373 -0.75407 -0.74637 -0.69020 -0.65979 -0.65040 -0.63228 -0.62521 -0.60992 -0.58790 -0.58142 -0.56922 -0.55993 -0.55572 -0.55418 -0.54907 -0.54639 -0.54301 -0.52752 -0.51517 -0.49334 -0.47843 -0.47578 -0.46110 -0.45554 -0.44381 -0.44354 -0.43621 -0.43033 -0.41826 -0.41731 -0.41171 -0.38263 -0.36357 -0.35310 -0.34264 -0.34063 -0.32272 -0.29387 -0.27334 -0.03054 0.06341 0.07393 0.11133 0.11854 0.13732 0.15326 0.16236 0.16920 0.17446 0.17761 0.18637 0.18991 0.19447 0.20394 0.21213 0.22559 0.22766 0.22890 0.23606 0.24048 0.24126 0.24729 0.24888 0.25100 0.25964 0.26831 0.27299 0.28658 0.30305 0.33138 0.33658 0.34369 0.35251 0.35786 0.37395 0.39347 0.39944 0.42095 0.42225 0.44517 0.44779 0.48548 0.49285 0.50389 0.51506 0.51953 0.53157 0.54721 0.55066 0.55185 0.55369 0.56039 0.56988 0.57408 0.58286 0.58484 0.59674 0.61366 0.61553 0.61823 0.63305 0.64318 0.64808 0.65458 0.67405 0.69061 0.70622 0.70881 0.71025 0.71359 0.72203 0.72833 0.73156 0.73866 0.74254 0.74744 0.75029 0.75420 0.75973 0.76102 0.76628 0.77673 0.78226 0.78751 0.78883 0.79702 0.81154 0.81498 0.81865 0.82643 0.82796 0.84211 0.84989 0.86152 0.87539 0.88296 0.89361 0.90654 0.91922 0.92583 0.95942 0.97316 0.97696 0.98921 1.01006 1.03615 1.04568 1.06162 1.07378 1.08335 1.09794 1.12183 1.12429 1.13299 1.15459 1.15583 1.16814 1.20152 1.20984 1.21584 1.22412 1.24434 1.24661 1.25729 1.26805 1.28578 1.29594 1.33110 1.34246 1.35071 1.35551 1.36345 1.37310 1.38758 1.39021 1.41571 1.43125 1.43453 1.44938 1.47314 1.47518 1.50440 1.55054 1.55938 1.56463 1.57035 1.58967 1.59841 1.61239 1.61870 1.63918 1.64876 1.66970 1.67785 1.69469 1.70037 1.70280 1.71926 1.74057 1.76500 1.77867 1.78697 1.80191 1.80676 1.81489 1.82467 1.83786 1.83937 1.84676 1.85584 1.86682 1.87597 1.88215 1.88966 1.89754 1.91702 1.92725 1.93552 1.94419 1.94733 1.95128 1.95519 1.96366 1.97383 1.99016 1.99425 1.99695 1.99882 2.01067 2.01598 2.02068 2.03145 2.03791 2.04934 2.05627 2.07472 2.07997 2.09390 2.09495 2.12853 2.13774 2.17442 2.18689 2.19767 2.21448 2.22314 2.25124 2.25693 2.27298 2.29366 2.30163 2.31528 2.33228 2.34268 2.36815 2.39009 2.41469 2.41700 2.41821 2.44289 2.45292 2.47604 2.48670 2.50802 2.51959 2.52468 2.54526 2.56360 2.58811 2.63958 2.64696 2.69346 2.73224 2.74196 2.75553 2.76145 2.76600 2.77029 2.77552 2.78884 2.79874 2.80284 2.81339 2.82133 2.84799 2.88178 2.89675 2.90382 2.91435 2.92073 2.92615 2.94346 2.96305 2.98119 2.98494 3.01188 3.02167 3.02736 3.04485 3.05572 3.09915 3.10099 3.10734 3.11527 3.14365 3.14619 3.17112 3.18489 3.19072 3.26105 3.30213 3.32806 3.36184 3.39693 3.45494 3.54589 3.55268 3.58579 3.59765 3.68845 3.69700 3.74345 3.78972 3.81827 2-A. 7.0326 0.1027 -2.0014 7.3125 -90.1328 -98.7729 -111.0260 -3.4654 -8.6697 -4.8800 9.8444 1.2043 -11.0487 -3.4654 -8.6697 -4.8800 99.6383 8.5926 7.1571 2.9274 -16.1963 -63.1739 -14.7982 -7.8264 0.5866 21.3276 -3801.3621 -2347.1921 -1036.2335 -81.8514 -132.9529 -24.6217 -65.7001 -35.0726 -40.6108 -972.1481 -853.8210 -533.5666 -53.1881 -51.1285 10.8609 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 250.94240000000002 AuxInfo=1/0/N:3,4,28,29,1,27,2,5,36,34;19,20,11,13,14,15,17,16,18/E:(1,2)(3,4)(7,8)(9,10);(1,2)(4,5)(6,7)(8,9)/CRV:1.3,2.3,5.3,6.4;3.3,4.3,5.3,6.1,7.1/rA:37nC3NC3C3NHHHHHC3HC3C3O1OO1OCCHHHHHHB4CCHHHHNHNH/rB:s1;s2;s3;s1s4;s2;s3;s4;s5;;;s11;s11;s11;s13;s13;s14;s14;s16;s18;s19;s19;s19;s20;s20;s20;s1s10;;s28;s28;s28;s29;s29;s27s29;s34;s27s28;s36;/rC:2.118,.0953,-.1891;2.3754,-1.1529,-.5914;3.7263,-1.327,-.7907;4.3228,-.135,-.5079;3.3035,.7167,-.1446;1.6076,-1.8459,-.6995;4.1525,-2.2709,-1.1155;5.3655,.1643,-.5375;3.3289,1.6945,.1393;-.1019,.4011,-.7416;-1.3075,-.7453,-1.2108;-.9757,-.8346,-2.2452;-2.4253,.1598,-.9429;-.9101,-1.8352,-.3419;-2.876,.4598,.1392;-2.866,.7233,-2.0868;.0684,-2.5483,-.5569;-1.6476,-1.9868,.7541;-3.8754,1.7021,-1.9426;-1.1219,-2.8237,1.7692;-4.1083,2.0568,-2.9534;-4.7765,1.2782,-1.4751;-3.5287,2.5402,-1.319;-.2219,-2.3557,2.1975;-1.9028,-2.8986,2.5341;-.8706,-3.8188,1.3777;.7389,.8659,.2032;.1014,1.7782,2.2957;.1626,2.9156,1.2671;.9917,1.838,2.9506;-.7836,1.8516,2.9456;.5852,3.8415,1.6954;-.8585,3.1496,.9028;1.0098,2.3479,.2261;.9798,2.8557,-.6514;.1174,.5326,1.5342;-.8243,.1581,1.4499; 0.000000 1.336510 0.000000 2.229692 1.376547 0.000000 2.239616 2.199010 1.362648 0.000000 1.339211 2.134622 2.184742 1.377107 0.000000 2.071113 1.039927 2.183198 3.215039 3.122685 0.000000 3.255271 2.163986 1.085445 2.227226 3.254185 2.613499 0.000000 3.266875 3.267833 2.230514 1.085194 2.170606 4.264868 2.781316 0.000000 2.032632 3.090500 3.186317 2.180336 1.018509 4.025095 4.240042 2.635821 0.000000 2.307985 2.928258 4.200470 4.463212 3.471725 2.823743 5.037863 5.476361 3.770863 0.000000 3.672150 3.756817 5.084681 5.706765 4.953356 3.157668 5.669995 6.768304 5.410347 1.728543 0.000000 3.829268 3.750481 4.946375 5.619778 5.013066 3.175765 5.444073 6.642661 5.532813 2.133392 1.089954 0.000000 4.605869 4.989342 6.330542 6.768550 5.810911 4.510721 7.014716 7.801362 6.052893 2.344549 1.463008 2.187738 0.000000 3.594418 3.364875 4.685700 5.504722 4.930088 2.543010 5.139919 6.589368 5.537144 2.411258 1.449475 2.151305 2.576257 0.000000 5.017974 5.541779 6.902660 7.252211 6.191270 5.110979 7.644005 8.274464 6.326491 2.911082 2.394739 3.312368 1.209956 3.059930 0.000000 5.369896 5.764428 7.024379 7.410032 6.467993 5.342178 7.692126 8.394677 6.653979 3.090867 2.313638 2.454700 1.349142 3.662818 2.241496 0.000000 3.365277 2.696394 3.863444 4.891491 4.614796 1.697879 4.131466 5.951298 5.396064 2.960136 2.360464 2.622447 3.701562 1.229755 4.266483 4.653485 0.000000 4.405016 4.323180 5.630243 6.377076 5.712195 3.567744 6.100593 7.448377 6.220533 3.213750 2.349047 3.282502 2.844744 1.329669 2.805890 4.110950 2.231312 0.000000 6.447980 7.003467 8.263598 8.523073 7.465881 6.648061 8.995329 9.472715 7.499005 4.168165 3.622009 3.864536 2.341092 4.885445 2.622155 1.413373 5.961512 5.083623 0.000000 4.780457 4.538210 5.683145 6.485345 5.981736 3.807988 6.037151 7.505717 6.548341 4.212353 3.637979 4.482552 4.237388 2.340654 4.063869 5.521914 2.627491 1.416713 6.468498 0.000000 7.089125 7.610500 8.803881 9.048104 8.038680 7.278957 9.505187 9.958489 8.062767 4.866680 4.328118 4.321464 3.236243 5.674176 3.692309 2.018055 6.662980 6.012626 1.096317 7.418940 0.000000 7.112433 7.605294 8.919212 9.259024 8.208009 7.149708 9.615241 10.245961 8.275059 4.812354 4.024672 4.416220 2.657452 5.091789 2.624428 2.081324 6.241664 5.041798 1.100132 6.380178 1.799466 0.000000 6.256152 7.001936 8.238292 8.334323 7.168225 6.782616 9.065876 9.239209 7.061768 4.080687 3.967347 4.331891 2.650536 5.191932 2.623026 2.080809 6.278004 5.322606 1.100614 6.640843 1.800296 1.781549 0.000000 4.144625 3.996272 5.057153 5.736240 5.229954 3.463958 5.488015 6.711836 5.766095 4.031409 3.922818 4.755958 4.587440 2.681956 4.382660 5.901376 2.776354 2.062015 6.852252 1.101183 7.817022 6.887468 6.875328 0.000000 5.704898 5.578441 6.723854 7.459846 6.881172 4.887420 7.097928 8.464270 7.362199 4.986090 4.360671 5.287818 4.660041 3.222944 4.238087 5.949624 3.682772 2.016129 6.715477 1.095627 7.715730 6.463507 6.860744 1.798226 0.000000 5.167884 4.639050 5.660555 6.640593 6.349097 3.787917 5.817528 7.643413 7.040332 4.784379 4.042068 4.694909 4.861275 2.625516 4.884931 6.051085 2.497744 2.085430 7.108732 1.098534 7.985284 7.026705 7.401040 1.798247 1.802679 0.000000 1.627691 2.717504 3.836741 3.788324 2.592302 2.987167 4.819853 4.737711 2.720044 1.347449 2.963637 3.438914 3.438682 3.211276 3.638179 4.273146 3.561472 3.759837 5.157040 4.419050 5.905785 5.779831 4.830458 3.908762 5.155839 5.090806 0.000000 3.615653 4.700848 5.683986 5.416702 4.163516 4.937005 6.666587 6.192131 3.882497 3.341107 4.544104 5.348545 4.415010 4.586591 3.905565 5.396721 5.182418 4.428340 5.812352 4.790697 6.734476 6.185707 5.179260 4.147596 5.093648 5.754459 2.370143 0.000000 3.728062 4.990396 5.910557 5.455685 4.085753 5.350546 6.964002 6.156061 3.576114 3.229218 4.658748 5.262771 4.379077 5.129367 4.066449 5.022688 5.761184 5.251046 5.299019 5.902702 6.065599 5.881790 4.522691 5.366544 6.298866 6.814156 2.380307 1.534795 0.000000 3.763424 4.838029 5.611845 5.191385 4.022647 5.222466 6.588476 5.839407 3.658756 4.110110 5.410855 6.165227 5.445341 5.286794 4.976149 6.441996 5.691714 5.139968 6.902837 5.253072 7.804818 7.291896 6.257492 4.430234 5.566575 6.159718 2.925298 1.106792 2.163925 0.000000 4.618437 5.613982 6.663485 6.476745 5.247946 5.716302 7.606116 7.265678 4.981194 4.020465 4.928942 5.847854 4.547344 4.941292 3.767138 5.561892 5.687984 4.503578 5.785834 4.832864 6.774592 5.984573 5.118306 4.309995 4.897528 5.883834 3.287969 1.100417 2.201069 1.775283 0.000000 4.464828 5.777434 6.539163 5.885299 4.531982 6.255220 7.615058 6.431117 3.815604 4.271699 5.750406 6.311182 5.438652 6.213829 5.083011 5.994898 6.794861 6.311880 6.140692 6.880709 6.842962 6.735739 5.263486 6.269595 7.233353 7.803882 3.332402 2.202656 1.104181 2.398829 2.719583 0.000000 4.402344 5.585960 6.627863 6.294817 4.933372 5.796975 7.652893 7.051597 4.498269 3.291042 4.454175 5.079197 3.847206 5.138189 3.447965 4.342220 5.954593 5.198815 4.392364 6.041589 5.160079 4.950504 3.526750 5.691203 6.350777 6.984661 2.873505 2.177755 1.109092 3.055613 2.421507 1.786356 0.000000 2.544496 3.845623 4.681663 4.204685 2.838853 4.336144 5.745447 4.931877 2.410932 2.441771 4.123389 4.491982 4.237252 4.637557 4.321017 4.796925 5.047002 5.111688 5.383740 5.802607 6.032359 6.125297 4.798172 5.246538 6.429204 6.549046 1.506735 2.330871 1.457337 2.771805 3.295153 2.137767 2.142714 0.000000 3.021420 4.245056 5.005784 4.487833 3.198729 4.743625 6.046838 5.146979 2.737136 2.683880 4.302526 4.470183 4.352882 5.066787 4.607800 4.625726 5.481171 5.685775 5.154593 6.521664 5.641466 6.025061 4.568554 6.059565 7.181096 7.217383 2.178957 3.258581 2.086214 3.743029 4.129936 2.575892 2.425131 1.014352 0.000000 2.676425 3.529535 4.678349 4.722408 3.605981 3.587092 5.582361 5.654205 3.689102 2.290110 3.346414 4.165083 3.569376 3.190912 3.303265 4.695584 3.723869 3.173433 5.421966 3.585473 6.349702 5.793268 5.046332 2.982754 4.105310 4.464887 1.506318 1.460039 2.398416 2.115376 2.131597 3.345708 2.863593 2.408872 3.304173 0.000000 3.368608 4.015472 5.285236 5.514699 4.460168 3.814482 6.103335 6.501064 4.618171 2.320250 2.851149 3.829118 2.879002 2.681640 2.453194 4.122604 3.485568 2.400478 4.816782 3.013565 5.811950 5.042784 4.544753 2.690873 3.417848 3.977858 2.121093 2.048668 2.934521 2.893474 2.259818 3.951498 3.041355 3.107513 3.866183 1.016959 0.000000 C10H18BN4O4(2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 250.94240000000002 AuxInfo=1/0/N:3,4,28,29,1,27,2,5,36,34;19,20,11,13,14,15,17,16,18/E:(1,2)(3,4)(7,8)(9,10);(1,2)(4,5)(6,7)(8,9)/CRV:1.3,2.3,5.3,6.4;3.3,4.3,5.3,6.1,7.1/rA:37nC3NC3C3NHHHHHC3HC3C3O1OO1OCCHHHHHHB4CCHHHHNHNH/rB:s1;s2;s3;s1s4;s2;s3;s4;s5;;;s11;s11;s11;s13;s13;s14;s14;s16;s18;s19;s19;s19;s20;s20;s20;s1s10;;s28;s28;s28;s29;s29;s27s29;s34;s27s28;s36;/rC:2.1013,.2593,-.4083;2.4294,-.9896,-.753;3.7607,-1.062,-1.0954;4.2699,.1951,-.9644;3.2209,.9817,-.5433;1.723,-1.7523,-.7245;4.2358,-1.9882,-1.4033;5.2703,.5796,-1.1347;3.1851,1.9771,-.3306;-.1845,.3297,-.719;-1.3211,-.9488,-.9672;-1.0975,-1.089,-2.0247;-2.483,-.125,-.6329;-.7303,-1.9301,-.079;-2.8387,.2181,.4715;-3.0972,.3085,-1.7532;.2815,-2.5711,-.3576;-1.3258,-2.0591,1.1028;-4.1722,1.2052,-1.559;-.616,-2.7668,2.104;-4.5467,1.4593,-2.5576;-4.9729,.743,-.9628;-3.8398,2.1157,-1.0375;.2775,-2.1915,2.3926;-1.298,-2.849,2.9576;-.3165,-3.764,1.7538;.7072,.9366,.0886;.2195,1.95,2.1749;.0605,3.0055,1.0721;1.1664,2.1365,2.7167;-.5921,1.9972,2.9166;.4385,3.9946,1.3854;-1.0117,3.1221,.8138;.8384,2.4337,-.0196;.6649,2.8677,-.9198;.2691,.6552,1.5021;-.6368,.1959,1.5528; 0.4610290 0.2790504 0.2334233 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 375 375 375 375 375 MxSgAt= 37 MxSgA2= 37. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 375 375 375 375 375 MxSgAt= 37 MxSgA2= 37. 1 0.7582 Using compressed storage, NAtomX= 37. Will process 38 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=1111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 11195 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 3145728000 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=T KAlg= 0 I1Cent= 0 FoldK=F IRaf= 1 NMat= 111 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 111 NMatS0= 111 NMatT0= 0 NMatD0= 111 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 114 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 0. 108 vectors produced by pass 0 Test12= 4.07D-14 1.00D-09 XBig12= 2.72D-01 9.85D-02. AX will form 108 AO Fock derivatives at one time. 108 vectors produced by pass 1 Test12= 4.07D-14 1.00D-09 XBig12= 2.40D-02 4.81D-02. 108 vectors produced by pass 2 Test12= 4.07D-14 1.00D-09 XBig12= 5.88D-04 6.57D-03. 108 vectors produced by pass 3 Test12= 4.07D-14 1.00D-09 XBig12= 1.31D-05 8.22D-04. 108 vectors produced by pass 4 Test12= 4.07D-14 1.00D-09 XBig12= 2.51D-07 6.98D-05. 108 vectors produced by pass 5 Test12= 4.07D-14 1.00D-09 XBig12= 2.59D-09 6.13D-06. 108 vectors produced by pass 6 Test12= 4.07D-14 1.00D-09 XBig12= 2.37D-11 3.93D-07. 71 vectors produced by pass 7 Test12= 4.07D-14 1.00D-09 XBig12= 1.86D-13 3.14D-08. 12 vectors produced by pass 8 Test12= 4.07D-14 1.00D-09 XBig12= 1.33D-15 3.62D-09. InvSVY: IOpt=1 It= 1 EMax= 5.00D-16 Solved reduced A of dimension 839 with 114 vectors. End of Minotr F.D. properties file 721 does not exist. 0.000 0.000 0.000 0.000 0.000 0.000 211.992 11.836 189.613 -12.778 5.639 154.116 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 C N C C N H H H H H C H C C O O O O C C H H H H H H B C C H H H H N H N H 13 14 13 13 14 1 1 1 1 1 13 1 13 13 17 17 17 17 13 13 1 1 1 1 1 1 11 13 13 1 1 1 1 14 1 14 1 0.04679 0.00554 -0.00066 0.00202 0.00637 -0.00018 -0.00001 0.00009 -0.00008 0.05784 0.20962 -0.00677 -0.02588 -0.02249 0.02323 0.00079 0.02163 0.01209 -0.00092 -0.00038 0.00001 0.00048 0.00050 0.00071 0.00002 0.00063 0.01044 -0.00212 -0.00176 0.00120 -0.00003 0.00022 0.00059 0.01669 0.00102 0.01032 0.00195 52.60228 1.79102 -0.74615 2.26633 2.05812 -0.80379 -0.06615 0.40141 -0.37987 258.55445 235.65624 -30.28118 -29.09294 -25.28537 -14.08306 -0.48159 -13.11065 -7.32796 -1.02996 -0.42433 0.03777 2.14034 2.22318 3.17979 0.07509 2.80388 14.97063 -2.38873 -1.97918 5.36401 -0.13853 0.99806 2.65400 5.39373 4.57563 3.33364 8.69599 18.76980 0.63908 -0.26625 0.80868 0.73439 -0.28681 -0.02361 0.14323 -0.13555 92.25866 84.08801 -10.80508 -10.38109 -9.02245 -5.02519 -0.17185 -4.67821 -2.61480 -0.36751 -0.15141 0.01348 0.76373 0.79329 1.13463 0.02679 1.00049 5.34189 -0.85236 -0.70622 1.91401 -0.04943 0.35613 0.94701 1.92462 1.63270 1.18953 3.10295 17.54623 0.59742 -0.24889 0.75597 0.68651 -0.26812 -0.02207 0.13390 -0.12671 86.24448 78.60646 -10.10071 -9.70436 -8.43429 -4.69760 -0.16064 -4.37324 -2.44435 -0.34356 -0.14154 0.01260 0.71394 0.74157 1.06066 0.02505 0.93527 4.99366 -0.79679 -0.66018 1.78924 -0.04621 0.33292 0.88528 1.79915 1.52627 1.11198 2.90067 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 -0.010794 -0.002220 0.001198 -0.002540 -0.015885 0.003179 0.000395 0.001714 0.002217 0.020330 0.284603 -0.013444 -0.009340 0.000183 0.091946 0.006446 -0.003932 -0.016922 -0.000081 -0.001857 -0.000003 0.001430 -0.000218 -0.001139 -0.000547 -0.001141 0.041913 -0.002063 -0.002456 -0.000877 -0.001327 -0.001372 -0.001594 0.080352 -0.001406 -0.021883 0.003819 0.009701 -0.018625 -0.000156 -0.004610 -0.017087 0.001742 0.000673 -0.001065 -0.000007 -0.008925 -0.092053 -0.023813 0.010186 -0.003836 0.022684 0.018814 -0.000324 -0.018794 0.001390 -0.000763 0.000336 -0.000384 0.001529 -0.000240 -0.000403 0.001825 -0.044625 0.001656 0.002824 -0.000320 0.000518 0.002390 0.003986 -0.062019 0.002595 -0.027902 -0.006633 0.001093 0.020845 -0.001041 0.007150 0.032972 -0.004921 -0.001068 -0.000650 -0.002210 -0.011405 -0.192550 0.037256 -0.000846 0.003652 -0.114631 -0.025261 0.004256 0.035717 -0.001309 0.002620 -0.000333 -0.001046 -0.001310 0.001380 0.000950 -0.000684 0.002712 0.000407 -0.000368 0.001196 0.000809 -0.001018 -0.002392 -0.018333 -0.001189 0.049785 0.002814 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 -0.010335 -0.005318 -0.001237 -0.000766 0.001087 -0.000752 -0.001069 -0.000522 0.001240 0.021992 0.303292 0.009000 -0.012871 -0.000283 0.187088 0.029849 0.119100 0.031416 -0.001171 0.000460 -0.001230 -0.001878 -0.001783 0.000278 0.000781 0.001041 0.020424 0.002632 0.000726 0.001004 -0.000363 0.000517 -0.000688 0.017214 0.005613 -0.037236 0.005227 -0.026259 0.025311 0.000584 0.001503 -0.009513 -0.000248 -0.000303 -0.000727 -0.001482 0.016437 0.183940 -0.002736 -0.005077 0.015064 0.063783 0.007953 0.125561 0.049443 0.001202 0.000221 0.000985 0.000800 0.000419 -0.000173 -0.001270 -0.000883 0.070221 0.000494 -0.000056 0.001520 -0.000265 0.000311 -0.000172 0.081752 -0.001516 0.069744 -0.003986 0.032888 -0.002296 0.001110 0.002238 -0.011080 -0.001527 0.000404 0.000335 0.000003 0.007756 0.103819 0.017972 0.006187 -0.005239 0.055819 0.003651 0.125334 0.042031 -0.000959 -0.002998 -0.001132 -0.000650 -0.000603 -0.002242 -0.001572 -0.001859 0.014324 0.003539 0.000594 0.001754 0.002544 0.001749 0.002028 0.009103 -0.007070 -0.059543 -0.000339 0.5734 -0.3827 0.7244 0.7172 0.6618 -0.2182 -0.3959 0.6447 0.654 -0.0371 -0.0123 0.0494 -4.974 -1.656 6.63 -1.775 -0.591 2.366 -1.659 -0.552 2.212 1 C 13 0.6019 0.7333 -0.3163 -0.5854 0.6745 0.4498 0.5432 -0.0856 0.8353 -0.022 -0.0155 0.0375 -0.848 -0.599 1.448 -0.303 -0.214 0.517 -0.283 -0.2 0.483 2 N 14 -0.3398 -0.5951 0.7283 0.3942 0.613 0.6847 0.8539 -0.5197 -0.0263 -0.0022 3.0E-4 0.0019 -0.298 0.039 0.259 -0.106 0.014 0.093 -0.099 0.013 0.086 3 C 13 0.3515 0.9135 -0.2049 0.9271 -0.3701 -0.0596 0.1302 0.169 0.977 -0.0054 -0.0023 0.0077 -0.726 -0.313 1.038 -0.259 -0.112 0.37 -0.242 -0.104 0.346 4 C 13 0.3711 0.8931 0.2544 0.9115 -0.4026 0.0839 -0.1773 -0.2008 0.9634 -0.0198 -0.0172 0.037 -0.763 -0.665 1.428 -0.272 -0.237 0.51 -0.255 -0.222 0.476 5 N 14 0.048 0.2174 0.9749 0.426 0.8784 -0.2168 0.9035 -0.4257 0.0505 -0.0053 0.0018 0.0035 -2.814 0.936 1.878 -1.004 0.334 0.67 -0.939 0.312 0.626 6 H 1 0.0709 -0.175 0.982 0.7591 0.6481 0.0607 -0.6471 0.7412 0.1788 -0.0012 -5.0E-4 0.0017 -0.62 -0.289 0.909 -0.221 -0.103 0.324 -0.207 -0.096 0.303 7 H 1 0.0517 0.8992 -0.4346 0.3327 0.3948 0.8564 0.9416 -0.1889 -0.2788 -0.0013 -8.0E-4 0.002 -0.67 -0.415 1.085 -0.239 -0.148 0.387 -0.224 -0.138 0.362 8 H 1 0.3183 -0.1469 0.9365 -0.2974 0.9226 0.2458 0.9001 0.3567 -0.25 -0.0027 -4.0E-4 0.0031 -1.448 -0.216 1.665 -0.517 -0.077 0.594 -0.483 -0.072 0.555 9 H 1 -0.5334 0.8032 0.2654 -0.157 -0.4023 0.9019 0.8312 0.4394 0.3407 -0.021 -0.0177 0.0387 -11.186 -9.458 20.645 -3.992 -3.375 7.367 -3.731 -3.155 6.886 10 H 1 -0.4181 0.8826 -0.215 -0.3523 0.0606 0.9339 0.8373 0.4662 0.2856 -0.261 -0.2552 0.5162 -35.027 -34.245 69.272 -12.498 -12.22 24.718 -11.684 -11.423 23.107 11 C 13 -0.43 0.8707 -0.2388 0.9028 0.4161 -0.1084 -0.005 0.2622 0.965 -0.0332 -0.009 0.0422 -17.707 -4.784 22.492 -6.318 -1.707 8.026 -5.907 -1.596 7.502 12 H 1 0.9014 0.4117 0.1341 0.0364 -0.3807 0.924 -0.4315 0.8279 0.3582 -0.016 -0.0036 0.0196 -2.144 -0.483 2.626 -0.765 -0.172 0.937 -0.715 -0.161 0.876 13 C 13 0.6813 -0.3123 -0.662 0.3578 0.9311 -0.071 0.6386 -0.1884 0.7461 -0.0143 -0.0035 0.0179 -1.922 -0.476 2.398 -0.686 -0.17 0.856 -0.641 -0.159 0.8 14 C 13 0.2986 -0.6122 0.7321 -0.5906 0.4841 0.6456 0.7497 0.6252 0.2171 -0.1353 -0.1311 0.2664 9.79 9.488 -19.278 3.493 3.386 -6.879 3.266 3.165 -6.431 15 O 17 -0.3476 0.1506 0.9255 0.692 -0.6249 0.3616 0.6327 0.7661 0.113 -0.0277 -0.0164 0.044 2.001 1.183 -3.184 0.714 0.422 -1.136 0.667 0.395 -1.062 16 O 17 -0.5821 -0.2272 0.7807 -0.5818 0.7872 -0.2046 0.5681 0.5733 0.5904 -0.1258 -0.1209 0.2468 9.106 8.75 -17.856 3.249 3.122 -6.371 3.037 2.919 -5.956 17 O 17 0.8147 -0.5432 -0.2031 0.3275 0.72 -0.6118 0.4786 0.4319 0.7645 -0.0502 -0.0402 0.0904 3.632 2.91 -6.542 1.296 1.038 -2.334 1.212 0.971 -2.182 18 O 17 -0.4829 0.0785 0.8721 0.7142 0.6117 0.3404 -0.5067 0.7872 -0.3514 -0.0021 -5.0E-4 0.0026 -0.277 -0.069 0.345 -0.099 -0.024 0.123 -0.092 -0.023 0.115 19 C 13 -0.4787 0.7596 0.4404 0.878 0.4103 0.2466 -0.0066 -0.5046 0.8633 -0.0028 -0.0016 0.0044 -0.375 -0.212 0.587 -0.134 -0.076 0.209 -0.125 -0.071 0.196 20 C 13 -0.3233 0.3802 0.8665 0.7558 0.6547 -0.0052 -0.5693 0.6533 -0.4991 -0.0012 -0.0011 0.0023 -0.639 -0.574 1.212 -0.228 -0.205 0.433 -0.213 -0.191 0.404 21 H 1 0.4176 0.8319 0.3653 -0.4003 -0.1925 0.8959 0.8157 -0.5204 0.2527 -0.0016 -0.0013 0.0029 -0.86 -0.674 1.534 -0.307 -0.24 0.548 -0.287 -0.225 0.512 22 H 1 -0.3283 -0.0051 0.9446 0.7872 0.5513 0.2765 -0.5221 0.8343 -0.1769 -0.0015 -0.0013 0.0028 -0.775 -0.704 1.479 -0.277 -0.251 0.528 -0.259 -0.235 0.493 23 H 1 -0.1855 0.8109 0.555 0.9799 0.1106 0.1659 -0.0731 -0.5746 0.8152 -0.0018 -0.0011 0.003 -0.981 -0.607 1.587 -0.35 -0.216 0.566 -0.327 -0.202 0.53 24 H 1 0.1797 0.7761 0.6045 0.8896 -0.3905 0.2369 -0.4199 -0.4952 0.7606 -0.0014 -0.0012 0.0027 -0.772 -0.655 1.427 -0.275 -0.234 0.509 -0.257 -0.219 0.476 25 H 1 0.6018 0.2157 0.769 0.7428 -0.5048 -0.4398 0.2934 0.8358 -0.464 -0.0019 -0.0013 0.0032 -1.012 -0.708 1.719 -0.361 -0.252 0.613 -0.337 -0.236 0.573 26 H 1 -0.6066 0.4024 0.6857 0.1226 0.8995 -0.4194 0.7855 0.1704 0.5949 -0.051 -0.0485 0.0995 -8.733 -8.308 17.041 -3.116 -2.964 6.081 -2.913 -2.771 5.684 27 B 11 0.7115 -0.5826 0.393 -0.6321 -0.2863 0.72 0.307 0.7607 0.5719 -0.0039 -0.0014 0.0054 -0.529 -0.192 0.722 -0.189 -0.069 0.258 -0.177 -0.064 0.241 28 C 13 0.9881 -0.1402 0.0631 -0.0854 -0.1592 0.9836 0.1279 0.9772 0.1692 -0.0026 -5.0E-4 0.003 -0.344 -0.062 0.406 -0.123 -0.022 0.145 -0.115 -0.021 0.135 29 C 13 0.9117 -0.2408 -0.333 0.0165 0.8312 -0.5557 0.4106 0.5011 0.7618 -0.0017 -0.0015 0.0032 -0.906 -0.786 1.691 -0.323 -0.28 0.603 -0.302 -0.262 0.564 30 H 1 0.1526 0.7275 -0.6689 0.9836 -0.046 0.1743 -0.0961 0.6846 0.7226 -0.0019 -0.0014 0.0033 -1.012 -0.724 1.736 -0.361 -0.258 0.62 -0.338 -0.242 0.579 31 H 1 -0.2488 -0.3484 0.9037 0.9599 -0.2134 0.1819 0.1295 0.9127 0.3875 -0.0018 -0.0014 0.0032 -0.949 -0.762 1.711 -0.339 -0.272 0.61 -0.316 -0.254 0.571 32 H 1 -0.0208 -0.2813 0.9594 0.9934 0.1023 0.0515 -0.1126 0.9542 0.2773 -0.003 -0.0017 0.0047 -1.591 -0.893 2.485 -0.568 -0.319 0.887 -0.531 -0.298 0.829 33 H 1 -0.4601 0.5425 0.7029 0.1937 0.8339 -0.5168 0.8665 0.1016 0.4888 -0.0648 -0.0637 0.1285 -2.5 -2.455 4.955 -0.892 -0.876 1.768 -0.834 -0.819 1.653 34 N 14 -0.4389 0.6584 0.6115 0.7948 -0.0329 0.6059 0.4191 0.752 -0.5089 -0.0077 -0.0028 0.0105 -4.115 -1.491 5.606 -1.468 -0.532 2.0 -1.373 -0.497 1.87 35 H 1 0.8763 0.1425 -0.4602 0.082 0.8972 0.434 0.4748 -0.4181 0.7745 -0.0646 -0.0601 0.1247 -2.49 -2.318 4.809 -0.889 -0.827 1.716 -0.831 -0.773 1.604 36 N 14 2.76682959e+00 4.04065091e-02 -7.87402543e-01 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 6 7 6 6 7 1 1 1 1 1 6 1 6 6 8 8 8 8 6 6 1 1 1 1 1 1 5 6 6 1 1 1 1 7 1 7 1 -0.001996217 0.005020265 -0.005309915 -0.012910024 -0.008104255 0.008250375 -0.000100778 -0.005385805 -0.003896069 -0.001450799 -0.000865391 0.000334207 -0.002097464 -0.001659523 0.002545170 0.010184555 0.009623678 -0.005484908 -0.000021828 -0.000063180 0.000438694 -0.000131410 -0.000325576 -0.000158608 0.000841281 -0.000306925 0.002561429 0.002592534 0.006839898 0.015848513 -0.001488517 -0.000803640 -0.005493805 0.002866004 0.001618733 0.000861384 0.006234473 0.010204395 0.005547380 0.016958712 -0.004814653 0.007501900 -0.000514797 -0.000737553 -0.001861149 -0.002014842 -0.001556108 -0.001542097 0.000328739 0.010013234 -0.000504718 -0.000742869 0.002257241 0.000175206 0.000943306 -0.000340432 -0.000049676 -0.001144806 0.002083788 -0.002391488 0.000087981 0.000033819 -0.000077943 -0.000160102 -0.000005080 0.000023069 0.000333346 -0.000118471 0.000172571 0.000188328 -0.001282766 0.000257300 0.000035224 -0.000024648 0.000183773 0.000591761 -0.000241483 0.000190169 -0.015968586 -0.040704226 -0.011522076 0.000817341 -0.002569793 -0.000612075 0.006947364 -0.000410762 0.002132782 0.000090092 0.000339382 -0.000637099 0.000742524 0.000172709 0.001454745 0.000767924 -0.001306310 0.004496012 0.000710756 0.003821901 -0.002559851 -0.035664100 0.036209180 0.031326250 0.013452762 -0.021384378 -0.025226983 0.008241339 0.012953065 -0.008660609 0.002450794 -0.008180329 -0.008311860 0.040704226 0.009065065 (Enter /NFS_R1/Userdata/grufor/SOFTWARE/g16/l716.exe) 0.7574 0.7566 0.7565 0.7562 0.7560 0.7556 0.7560 0.7559 0.7567 0.7574 0.7580 0.7583 0.7580 0.7585 0.7582 0.7579 0.7575 0.7568 0.7559 0.7550 0.7548 0.7549 0.7549 0.7552 0.7545 0.7547 0.7546 0.7550 0.7549 0.7545 0.7548 0.7546 0.7548 0.7547 0.7546 0.7547 0.7547 0.7547 0.7546 0.7546 0.7548 0.7545 0.7545 0.7547 0.7544 0.7545 0.7545 0.7547 0.7548 0.7551 0.7553 0.7551 0.7548 0.7546 0.7548 0.7552 0.7552 0.7550 0.7553 0.7546 0.7549 0.7552 0.7548 0.7546 0.7548 0.7547 0.7552 0.7552 0.7546 0.7549 0.7551 0.7548 0.7551 0.7558 0.7549 0.7545 0.7544 0.7545 0.7546 0.7545 0.7549 0.7554 0.7554 0.7549 0.7548 0.7551 0.7550 0.7550 0.7548 0.7545 0.7547 0.7545 0.7545 0.7548 0.7553 0.7546 0.7548 0.7549 0.7547 0.7553 0.7548 0.7549 0.7545 0.7548 0.7549 0.7552 0.7550 0.7553 0.7554 0.7553 0.7554 0.7552 0.7553 0.7561 0.7560 0.7568 0.7566 0.7570 0.7570 0.7562 0.7560 0.7557 0.7557 0.7557 0.7557 0.7557 0.7557 0.7557 open 1 1 1 -935.695391704092 -935.695392555282 -0.000000851190 -935.695392613856 -0.000000058574 -935.695392620876 -0.000000007020 -935.695392623864 -0.000000002988 -935.695392624571 -0.000000000707 -935.695392625099 -0.000000000528 -935.695392625227 -0.000000000127 -935.695392625239 -0.000000000012 -935.695392625 9 0.7557 9.267585809230e+02 -5.262841556424e+03 1.860697369655e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3145728000 LenX= 3145437312 LenY= 3145296246 Requested convergence on RMS density matrix=1.00D-08 within 32 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 0.7557 (Enter /NFS_R1/Userdata/grufor/SOFTWARE/g16/l716.exe) 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 C N C C N H H H H H C H C C O O O O C C H H H H H H B C C H H H H N H N H 13 14 13 13 14 1 1 1 1 1 13 1 13 13 17 17 17 17 13 13 1 1 1 1 1 1 11 13 13 1 1 1 1 14 1 14 1 0.05121 0.00062 -0.00002 0.00161 0.00288 0.00019 0.00000 0.00027 0.00011 0.05107 0.16544 -0.00687 -0.02798 -0.02293 0.01923 0.00147 0.01976 0.01141 -0.00098 -0.00152 0.00001 0.00052 0.00050 0.00123 -0.00001 0.00068 0.04708 -0.00174 -0.00162 0.00095 -0.00009 0.00135 0.00089 0.01331 0.00156 0.00884 0.00291 57.56817 0.20051 -0.02303 1.81180 0.93200 0.82997 0.02203 1.22809 0.51326 228.29093 185.99008 -30.68656 -31.45331 -25.77675 -11.65505 -0.89386 -11.97671 -6.91535 -1.09771 -1.70714 0.03590 2.32919 2.22712 5.51622 -0.06675 3.05022 67.52453 -1.95893 -1.81594 4.22683 -0.40182 6.05521 3.95858 4.29947 6.95792 2.85555 12.98970 20.54175 0.07155 -0.00822 0.64650 0.33256 0.29615 0.00786 0.43821 0.18314 81.45988 66.36588 -10.94973 -11.22332 -9.19778 -4.15881 -0.31895 -4.27359 -2.46757 -0.39169 -0.60915 0.01281 0.83111 0.79469 1.96833 -0.02382 1.08839 24.09443 -0.69899 -0.64797 1.50824 -0.14338 2.16065 1.41252 1.53416 2.48276 1.01893 4.63505 19.20267 0.06688 -0.00768 0.60435 0.31088 0.27685 0.00735 0.40965 0.17121 76.14966 62.03961 -10.23594 -10.49169 -8.59820 -3.88771 -0.29816 -3.99500 -2.30671 -0.36616 -0.56944 0.01198 0.77693 0.74289 1.84001 -0.02227 1.01744 22.52376 -0.65343 -0.60573 1.40992 -0.13403 2.01980 1.32044 1.43415 2.32091 0.95251 4.33290 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 0.014771 0.001824 0.000813 0.000993 -0.005633 0.005094 0.001116 0.001623 0.002971 0.014437 0.106704 -0.020255 0.010859 -0.008024 0.073815 -0.001158 -0.042561 -0.023992 0.001123 -0.001260 0.000932 0.002498 0.000927 -0.001338 -0.001528 -0.001605 0.026099 -0.003832 -0.003238 -0.001530 -0.001404 -0.001745 -0.000607 0.099479 -0.007082 0.016623 -0.000501 -0.011480 -0.009790 -0.001785 -0.002469 -0.001766 0.000326 -0.000224 -0.000828 0.000165 0.002436 0.136429 -0.017175 -0.003939 0.028008 0.037403 0.032878 0.126056 0.053925 0.000553 -0.001065 -0.000369 -0.001170 0.000611 -0.000303 -0.000477 0.001422 -0.040937 0.000815 0.004717 -0.000384 -0.000502 0.002092 0.002507 -0.040302 0.003570 -0.034686 -0.002928 -0.003291 0.007966 0.000971 0.001476 0.007400 -0.005421 -0.000893 -0.000796 -0.003136 -0.016873 -0.243133 0.037430 -0.006920 -0.019984 -0.111218 -0.031720 -0.083495 -0.029933 -0.001676 0.002326 -0.000562 -0.001327 -0.001539 0.001641 0.002006 0.000183 0.014838 0.003017 -0.001480 0.001914 0.001906 -0.000347 -0.001900 -0.059177 0.003512 0.018063 0.003428 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 -0.015567 0.000473 -0.000955 -0.000137 0.008250 -0.000862 -0.000965 0.000280 0.001958 0.046345 0.391499 0.012617 -0.002185 0.023024 0.168851 0.032579 0.121413 0.070734 -0.001465 0.000781 -0.001267 -0.001389 -0.002176 0.000032 0.000359 -0.000870 0.063674 0.000827 -0.001055 0.000868 -0.000397 -0.000085 -0.002127 0.088286 0.003469 -0.044340 0.008437 -0.037117 0.007922 0.000237 -0.002426 -0.013064 -0.002122 -0.000540 -0.000431 -0.000950 0.032015 0.096007 -0.006712 -0.003591 0.011780 -0.004759 0.002852 0.042499 0.036268 0.001343 0.002444 0.001313 0.000435 0.000696 0.001457 -0.000326 0.000390 0.100466 -0.000049 -0.001519 0.001360 -0.000957 -0.000075 -0.001066 0.066998 -0.000434 0.079590 -0.003717 0.017336 0.006002 0.000918 0.000514 -0.018807 -0.000294 0.000339 0.000111 0.000346 0.024074 0.099316 0.016035 0.003606 0.006226 -0.000218 -0.003110 0.083641 0.051850 -0.000746 -0.001629 -0.000739 -0.000146 -0.000414 -0.002178 -0.001977 -0.002547 0.058309 0.004678 0.001015 0.002246 0.002434 0.002636 0.002148 0.032281 -0.009664 -0.040607 -0.001076 0.5367 -0.254 0.8047 0.4242 0.9056 0.0029 0.7294 -0.3398 -0.5937 -0.0335 -0.0187 0.0522 -4.498 -2.512 7.009 -1.605 -0.896 2.501 -1.5 -0.838 2.338 1 C 13 0.1666 0.9238 -0.3448 0.8363 -0.3176 -0.447 0.5224 0.2138 0.8254 -0.0119 -0.0026 0.0145 -0.461 -0.1 0.561 -0.164 -0.036 0.2 -0.154 -0.033 0.187 2 N 14 0.2954 0.9156 -0.2728 0.9089 -0.1813 0.3756 -0.2944 0.3589 0.8857 -0.0024 0.0011 0.0013 -0.318 0.148 0.17 -0.113 0.053 0.061 -0.106 0.049 0.057 3 C 13 -0.0817 0.9813 -0.1745 0.7412 0.1768 0.6476 -0.6663 0.0764 0.7417 -0.0025 -0.0012 0.0037 -0.342 -0.156 0.498 -0.122 -0.056 0.178 -0.114 -0.052 0.166 4 C 13 0.2821 0.681 0.6757 0.8692 -0.4796 0.1205 -0.4061 -0.5534 0.7272 -0.017 -0.012 0.029 -0.656 -0.463 1.119 -0.234 -0.165 0.399 -0.219 -0.154 0.373 5 N 14 0.1951 0.0735 0.978 0.1313 0.9863 -0.1003 0.972 -0.148 -0.1828 -0.0059 2.0E-4 0.0056 -3.13 0.129 3.001 -1.117 0.046 1.071 -1.044 0.043 1.001 6 H 1 0.1342 -0.2371 0.9622 0.4929 0.8583 0.1427 0.8597 -0.455 -0.2321 -0.0011 -7.0E-4 0.0018 -0.561 -0.385 0.946 -0.2 -0.137 0.338 -0.187 -0.128 0.316 7 H 1 0.1875 -0.6847 0.7043 0.0413 0.7219 0.6908 0.9814 0.1004 -0.1636 -0.001 -7.0E-4 0.0017 -0.543 -0.376 0.92 -0.194 -0.134 0.328 -0.181 -0.126 0.307 8 H 1 0.2053 -0.2049 0.957 -0.4028 0.8735 0.2734 0.892 0.4416 -0.0968 -0.0034 -6.0E-4 0.004 -1.822 -0.336 2.157 -0.65 -0.12 0.77 -0.608 -0.112 0.72 9 H 1 0.7193 -0.5398 -0.4373 0.0406 -0.5958 0.8021 0.6936 0.5947 0.4066 -0.0398 -0.0331 0.0729 -21.241 -17.679 38.92 -7.579 -6.308 13.888 -7.085 -5.897 12.982 10 H 1 0.729 -0.677 -0.1014 -0.046 -0.1962 0.9795 0.683 0.7093 0.1742 -0.2702 -0.2675 0.5378 -36.264 -35.901 72.165 -12.94 -12.81 25.75 -12.096 -11.975 24.072 11 C 13 0.6921 -0.6885 0.2168 0.7198 0.6806 -0.1367 -0.0534 0.2507 0.9666 -0.0349 -0.0071 0.042 -18.625 -3.762 22.388 -6.646 -1.343 7.989 -6.213 -1.255 7.468 12 H 1 0.095 -0.5151 0.8519 0.2639 0.8381 0.4774 0.9599 -0.1795 -0.2155 -0.0095 -0.0026 0.0121 -1.275 -0.345 1.62 -0.455 -0.123 0.578 -0.425 -0.115 0.54 13 C 13 -0.633 0.175 0.7541 0.6288 -0.4521 0.6327 0.4517 0.8746 0.1761 -0.0284 -0.0127 0.0412 -3.814 -1.708 5.522 -1.361 -0.609 1.97 -1.272 -0.57 1.842 14 C 13 -0.5713 0.6277 -0.5288 -0.3464 0.3997 0.8487 0.7441 0.668 -0.0109 -0.1161 -0.1094 0.2255 8.401 7.915 -16.316 2.998 2.824 -5.822 2.802 2.64 -5.442 15 O 17 -0.263 0.1746 0.9489 0.8143 -0.4873 0.3154 0.5175 0.8556 -0.0141 -0.0331 -0.0196 0.0526 2.394 1.415 -3.808 0.854 0.505 -1.359 0.798 0.472 -1.27 16 O 17 0.0022 -0.3315 0.9435 0.8971 -0.4161 -0.1483 0.4417 0.8467 0.2965 -0.1128 -0.1059 0.2187 8.161 7.663 -15.824 2.912 2.734 -5.646 2.722 2.556 -5.278 17 O 17 0.8684 -0.3603 -0.3406 0.1308 -0.4963 0.8583 0.4782 0.7899 0.3839 -0.0676 -0.0544 0.1219 4.889 3.935 -8.824 1.744 1.404 -3.149 1.631 1.313 -2.943 18 O 17 -0.3449 0.0696 0.9361 0.5679 0.8095 0.1491 0.7474 -0.583 0.3187 -0.0022 -6.0E-4 0.0028 -0.299 -0.082 0.381 -0.107 -0.029 0.136 -0.1 -0.027 0.127 19 C 13 0.7055 -0.5446 -0.4535 0.5907 0.8054 -0.0483 0.3915 -0.2338 0.89 -0.0034 -4.0E-4 0.0038 -0.461 -0.053 0.514 -0.164 -0.019 0.183 -0.154 -0.018 0.171 20 C 13 -0.4995 0.0078 0.8663 0.4025 0.8876 0.224 0.7671 -0.4606 0.4465 -0.0013 -0.0011 0.0025 -0.708 -0.603 1.311 -0.252 -0.215 0.468 -0.236 -0.201 0.437 21 H 1 0.3187 0.9478 -0.0025 -0.0989 0.0359 0.9945 0.9427 -0.3167 0.1052 -0.0016 -0.0014 0.003 -0.873 -0.734 1.608 -0.312 -0.262 0.574 -0.291 -0.245 0.536 22 H 1 -0.4088 -0.221 0.8855 0.5529 0.712 0.4329 0.7261 -0.6665 0.1689 -0.0018 -0.0013 0.0031 -0.937 -0.71 1.647 -0.334 -0.253 0.588 -0.313 -0.237 0.549 23 H 1 0.6743 -0.5273 -0.5171 0.6933 0.6931 0.1974 0.2543 -0.4916 0.8329 -0.0025 -9.0E-4 0.0034 -1.323 -0.476 1.799 -0.472 -0.17 0.642 -0.441 -0.159 0.6 24 H 1 0.7072 -0.6484 -0.2818 0.7002 0.5873 0.406 -0.0978 -0.4844 0.8693 -0.0017 -0.0014 0.0031 -0.922 -0.756 1.678 -0.329 -0.27 0.599 -0.308 -0.252 0.56 25 H 1 0.6586 0.5478 0.5158 0.7316 -0.3061 -0.6091 -0.1758 0.7786 -0.6024 -0.002 -0.0016 0.0036 -1.079 -0.835 1.915 -0.385 -0.298 0.683 -0.36 -0.279 0.639 26 H 1 0.7419 -0.4165 -0.5254 0.0531 0.8177 -0.5731 0.6684 0.3973 0.6288 -0.0808 -0.0777 0.1585 -13.834 -13.298 27.132 -4.936 -4.745 9.681 -4.615 -4.436 9.05 27 B 11 0.8877 -0.3837 0.2546 0.4582 0.6819 -0.5701 0.0451 0.6227 0.7811 -0.0042 -0.0025 0.0067 -0.564 -0.341 0.905 -0.201 -0.122 0.323 -0.188 -0.114 0.302 28 C 13 0.8748 0.049 0.4819 -0.4583 -0.2386 0.8562 -0.1569 0.9699 0.1863 -0.0041 -9.0E-4 0.0051 -0.555 -0.127 0.682 -0.198 -0.045 0.243 -0.185 -0.042 0.228 29 C 13 0.9511 -0.2442 -0.1893 0.1044 0.8305 -0.5472 0.2908 0.5007 0.8153 -0.002 -0.0018 0.0038 -1.08 -0.936 2.016 -0.385 -0.334 0.719 -0.36 -0.312 0.672 30 H 1 -0.3307 0.7675 -0.5491 0.9224 0.3858 -0.0162 -0.1994 0.5119 0.8356 -0.0021 -0.0016 0.0036 -1.106 -0.829 1.934 -0.395 -0.296 0.69 -0.369 -0.276 0.645 31 H 1 0.0618 -0.5366 0.8416 0.9979 0.0503 -0.0412 -0.0202 0.8424 0.5385 -0.002 -0.0017 0.0038 -1.085 -0.932 2.016 -0.387 -0.332 0.719 -0.362 -0.311 0.673 32 H 1 0.1436 -0.3212 0.9361 0.895 0.4459 0.0157 -0.4224 0.8355 0.3515 -0.0028 -0.0017 0.0045 -1.494 -0.899 2.394 -0.533 -0.321 0.854 -0.498 -0.3 0.798 33 H 1 -0.3496 0.0143 0.9368 -0.3829 0.9104 -0.1568 0.8551 0.4135 0.3128 -0.0837 -0.083 0.1667 -3.227 -3.201 6.428 -1.152 -1.142 2.294 -1.077 -1.068 2.144 34 N 14 0.7994 -0.4887 -0.3494 0.5856 0.5042 0.6347 0.134 0.712 -0.6893 -0.009 -0.0046 0.0136 -4.809 -2.436 7.245 -1.716 -0.869 2.585 -1.604 -0.812 2.417 35 H 1 0.7468 0.4083 -0.525 -0.079 0.8382 0.5397 0.6604 -0.3615 0.6582 -0.0636 -0.0567 0.1202 -2.452 -2.185 4.637 -0.875 -0.78 1.655 -0.818 -0.729 1.547 36 N 14 PT207607.100S 2024-09-23T16:42:13.000 -19.29002 -19.28138 -19.23318 -19.21936 -14.52563 -14.51314 -14.39641 -14.37529 -10.41999 -10.40568 -10.36750 -10.36183 -10.35979 -10.33983 -10.33955 -10.30545 -10.29606 -10.29240 -6.82456 -1.19530 -1.18120 -1.15990 -1.09518 -1.08474 -1.01683 -0.97919 -0.89699 -0.88183 -0.87228 -0.81677 -0.77426 -0.76640 -0.75910 -0.73661 -0.67974 -0.66642 -0.65318 -0.63818 -0.60921 -0.60331 -0.60119 -0.58196 -0.57035 -0.56738 -0.55784 -0.55736 -0.55230 -0.55112 -0.54007 -0.52958 -0.52810 -0.49749 -0.49116 -0.48464 -0.48279 -0.46115 -0.44540 -0.44056 -0.43084 -0.42481 -0.42377 -0.41504 -0.41279 -0.39901 -0.38132 -0.37161 -0.36319 -0.34455 -0.34116 -0.31659 -0.27896 -0.23857 0.07506 0.08220 0.08321 0.13203 0.14415 0.16097 0.16552 0.17129 0.17652 0.18524 0.18784 0.19306 0.20994 0.21429 0.22132 0.22312 0.22430 0.22825 0.23154 0.23841 0.24935 0.25646 0.26924 0.27802 0.28095 0.29123 0.29681 0.30229 0.30516 0.33483 0.34381 0.34895 0.36240 0.38048 0.38306 0.40523 0.40723 0.43249 0.43601 0.45651 0.46239 0.47755 0.50688 0.51176 0.51336 0.51975 0.53762 0.54294 0.54468 0.55133 0.55694 0.56542 0.57238 0.57887 0.58629 0.59716 0.60705 0.60979 0.62018 0.62277 0.65149 0.66337 0.67551 0.67717 0.69598 0.70090 0.70586 0.71641 0.71909 0.72136 0.72786 0.73189 0.73388 0.74195 0.74486 0.74560 0.74801 0.76228 0.76560 0.76727 0.77356 0.77934 0.78971 0.79982 0.80384 0.80559 0.81240 0.82216 0.82552 0.83647 0.84915 0.86234 0.86760 0.88454 0.90479 0.91330 0.92389 0.93724 0.95389 0.96099 0.97541 0.98755 0.99661 1.01415 1.02969 1.04376 1.04701 1.08001 1.10123 1.10825 1.12848 1.14079 1.15106 1.16184 1.16935 1.18870 1.19028 1.22078 1.22373 1.23766 1.24169 1.25548 1.26722 1.30179 1.31628 1.33064 1.34509 1.35120 1.36167 1.37729 1.37916 1.39292 1.40279 1.42456 1.42751 1.43971 1.45557 1.45989 1.47333 1.48210 1.52043 1.52387 1.55652 1.57156 1.57926 1.59156 1.60152 1.61014 1.61791 1.62633 1.64103 1.65843 1.66797 1.68304 1.69089 1.70111 1.73690 1.76323 1.76927 1.78447 1.79658 1.80530 1.81816 1.82153 1.82794 1.83752 1.84180 1.85678 1.87161 1.87278 1.87393 1.88515 1.89158 1.90501 1.91212 1.91806 1.93000 1.94121 1.95763 1.96124 1.96785 1.97546 1.98341 1.99093 2.00083 2.00697 2.01159 2.02136 2.02555 2.02986 2.04513 2.06356 2.07864 2.08242 2.09690 2.10471 2.11535 2.12901 2.15584 2.15974 2.16924 2.19331 2.20797 2.23096 2.23749 2.25230 2.25651 2.27016 2.28315 2.31015 2.32235 2.33166 2.35734 2.38799 2.40693 2.41137 2.42572 2.43126 2.44139 2.45707 2.46500 2.49297 2.49846 2.50077 2.53608 2.54505 2.56289 2.57278 2.59166 2.66745 2.70321 2.72143 2.74563 2.75033 2.75921 2.76226 2.76412 2.76633 2.77981 2.80753 2.80978 2.82036 2.83071 2.86024 2.86679 2.87770 2.89567 2.90403 2.91388 2.91973 2.94745 2.95918 2.98762 2.99115 3.00535 3.00991 3.02157 3.03932 3.07411 3.08025 3.09105 3.09525 3.12805 3.13878 3.16499 3.17724 3.18648 3.22890 3.23413 3.26350 3.31200 3.32706 3.34777 3.40839 3.46439 3.52696 3.54078 3.58189 3.63386 3.69179 3.72108 3.74916 3.79081 3.82457 -19.28929 -19.28108 -19.23191 -19.21803 -14.52544 -14.51305 -14.39522 -14.37447 -10.42000 -10.40608 -10.36685 -10.36180 -10.35977 -10.33984 -10.33957 -10.29893 -10.29609 -10.29243 -6.82247 -1.19346 -1.18015 -1.15938 -1.09266 -1.08247 -1.01637 -0.97678 -0.89427 -0.88113 -0.86112 -0.81594 -0.76933 -0.76332 -0.75859 -0.73617 -0.67773 -0.66352 -0.65210 -0.63660 -0.60731 -0.60153 -0.59904 -0.57368 -0.56837 -0.56533 -0.55732 -0.55545 -0.54958 -0.54586 -0.53854 -0.52805 -0.52585 -0.49321 -0.48768 -0.48146 -0.47656 -0.45691 -0.44286 -0.43550 -0.42912 -0.42377 -0.42269 -0.41190 -0.40071 -0.39064 -0.37459 -0.36631 -0.36070 -0.34090 -0.33828 -0.28902 -0.26933 -0.02468 0.07879 0.08354 0.09421 0.13281 0.14452 0.16512 0.17024 0.17475 0.17900 0.18570 0.18899 0.19481 0.21135 0.21487 0.22190 0.22341 0.22592 0.22900 0.23216 0.23978 0.25032 0.25876 0.27056 0.27966 0.28154 0.29309 0.30009 0.30564 0.30673 0.33811 0.34526 0.35304 0.36480 0.38173 0.38957 0.40607 0.41120 0.43687 0.43822 0.45813 0.46720 0.48357 0.50881 0.51379 0.51727 0.52094 0.53834 0.54376 0.54601 0.55209 0.55840 0.56655 0.57683 0.58110 0.58753 0.60008 0.60952 0.61237 0.62186 0.62292 0.65350 0.66667 0.67683 0.67886 0.69775 0.70167 0.70709 0.71699 0.72119 0.72272 0.72930 0.73306 0.73626 0.74318 0.74547 0.74782 0.75063 0.76458 0.76676 0.76799 0.77432 0.78332 0.79136 0.80055 0.80580 0.80716 0.81342 0.82387 0.82653 0.84006 0.84996 0.86422 0.86901 0.88675 0.90619 0.91580 0.92491 0.94095 0.95712 0.96226 0.97857 0.99119 1.00058 1.01618 1.03352 1.04470 1.04858 1.08158 1.10227 1.11056 1.13012 1.14230 1.15274 1.16461 1.17143 1.19122 1.19298 1.22307 1.22552 1.23936 1.24460 1.25819 1.26801 1.30368 1.31872 1.33268 1.34683 1.35377 1.36464 1.37869 1.38075 1.39524 1.40387 1.42688 1.43204 1.44226 1.45803 1.46615 1.47460 1.48565 1.52340 1.52831 1.55925 1.57460 1.58139 1.59415 1.60304 1.61040 1.62126 1.63084 1.64400 1.66233 1.66926 1.68445 1.69306 1.70315 1.73961 1.76601 1.77256 1.78489 1.79800 1.80717 1.81959 1.82240 1.82861 1.84031 1.84360 1.85958 1.87204 1.87367 1.87468 1.88598 1.89225 1.90924 1.91293 1.92028 1.93340 1.94263 1.95905 1.96349 1.96891 1.97754 1.98548 1.99151 2.00173 2.00726 2.01301 2.02252 2.02630 2.03171 2.04653 2.06525 2.08113 2.08411 2.09908 2.10609 2.11824 2.13078 2.16034 2.16439 2.17049 2.19520 2.21296 2.23326 2.24062 2.25605 2.26144 2.27188 2.28701 2.31622 2.32472 2.33563 2.35970 2.39021 2.40736 2.41198 2.42640 2.43455 2.44526 2.45953 2.46657 2.49420 2.50055 2.50178 2.54057 2.54963 2.56373 2.57775 2.59289 2.67281 2.71072 2.72495 2.74747 2.75245 2.75972 2.76463 2.76678 2.76890 2.78222 2.80962 2.81241 2.82185 2.83202 2.86271 2.86848 2.88045 2.90061 2.90516 2.91524 2.92193 2.94985 2.96042 2.98951 2.99271 3.00785 3.01147 3.02337 3.04126 3.07599 3.08186 3.09195 3.09671 3.12903 3.13985 3.16639 3.17850 3.18857 3.22941 3.23541 3.26546 3.31478 3.32992 3.35101 3.40967 3.46578 3.52845 3.54186 3.58311 3.63464 3.69276 3.72141 3.75059 3.79212 3.82648 2-A. 1.88049664e+00 3.96084760e-01 -8.27885645e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 4.7797 1.0067 -2.1043 5.3186 -89.3070 -105.5652 -110.0848 -1.4861 -2.9931 -5.8642 12.3453 -3.9129 -8.4325 -1.4861 -2.9931 -5.8642 63.0606 -4.3355 10.4402 0.0912 16.6171 -49.4178 -10.1981 -11.5174 5.4553 11.0574 -3057.9930 -1949.5898 -1081.3756 -34.1095 -28.3830 1.4260 -73.8892 -5.9600 -46.1155 -847.3254 -786.6645 -458.7893 -22.6098 -18.8730 -10.5617 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 2-A -935.6953926 0.75568 0. 0.750023 9.201E-9 1.05E-6 9.2914364,-2.0574441,-7.2339924,-1.5770823,-0.8861378,-4.0580415 C01[X(C10H18B1N4O4)] 1.9908057 0.2722134 -0.5840701 0.000000331 0.000001511 0.000001073 0.000002479 -0.000000233 -0.000002579 0.000000610 0.000000478 0.000001407 -0.000000289 0.000000315 0.000000819 0.000000607 -0.000000877 0.000000526 -0.000000814 0.000000983 0.000003554 0.000000457 0.000000483 0.000000384 0.000000118 0.000000554 0.000000953 -0.000000807 0.000000920 0.000000001 0.000000942 -0.000001136 -0.000002240 -0.000001787 -0.000001134 -0.000001333 0.000000889 0.000000114 -0.000000393 -0.000000045 0.000002043 0.000001760 -0.000000981 -0.000000505 0.000003055 0.000000814 -0.000000188 -0.000001138 -0.000000084 -0.000000995 -0.000000991 0.000001048 -0.000002069 -0.000002101 0.000000644 -0.000000284 -0.000001239 0.000000461 -0.000000167 -0.000000510 0.000000313 -0.000000857 -0.000000043 0.000000362 -0.000000408 -0.000000639 0.000000054 -0.000000514 -0.000000831 -0.000000064 -0.000000475 -0.000000468 -0.000000286 -0.000001242 -0.000000082 -0.000000386 -0.000000465 -0.000000527 0.000000117 -0.000000183 -0.000000040 0.000001123 0.000000891 0.000001711 -0.000000494 0.000000350 -0.000000321 -0.000000315 0.000000370 0.000000382 -0.000000257 -0.000000014 -0.000000359 -0.000000237 -0.000000356 0.000000606 -0.000000851 0.000000183 0.000000166 -0.000000592 -0.000000444 -0.000000086 0.000000338 0.000002747 -0.000000159 -0.000001267 -0.000000037 0.000000201 -0.000001412 -0.000001487 0.000001004 -0.000000738 0.000002126 -0.000001523 250.94240000000002 AuxInfo=1/0/N:3,4,28,29,1,27,2,5,36,34;19,20,11,13,14,15,17,16,18/E:(1,2)(3,4)(7,8)(9,10);(1,2)(4,5)(6,7)(8,9)/CRV:1.3,2.3,5.3,6.4;3.3,4.3,5.3,6.1,7.1/rA:37nC3NC3C3NHHHHHC3HC3C3O1OO1OCCHHHHHHB4CCHHHHNHNH/rB:s1;s2;s3;s1s4;s2;s3;s4;s5;;;s11;s11;s11;s13;s13;s14;s14;s16;s18;s19;s19;s19;s20;s20;s20;s1s10;;s28;s28;s28;s29;s29;s27s29;s34;s27s28;s36;/rC:2.118,.0953,-.1891;2.3754,-1.1529,-.5914;3.7263,-1.327,-.7907;4.3228,-.135,-.5079;3.3035,.7167,-.1446;1.6076,-1.8459,-.6995;4.1525,-2.2709,-1.1155;5.3655,.1643,-.5375;3.3289,1.6945,.1393;-.1019,.4011,-.7416;-1.3075,-.7453,-1.2108;-.9757,-.8346,-2.2452;-2.4253,.1598,-.9429;-.9101,-1.8352,-.3419;-2.876,.4598,.1392;-2.866,.7233,-2.0868;.0684,-2.5483,-.557;-1.6476,-1.9868,.7541;-3.8754,1.7021,-1.9426;-1.1219,-2.8237,1.7692;-4.1083,2.0568,-2.9534;-4.7765,1.2782,-1.4751;-3.5287,2.5402,-1.319;-.2219,-2.3557,2.1975;-1.9028,-2.8986,2.5341;-.8706,-3.8188,1.3777;.7389,.8658,.2032;.1014,1.7782,2.2957;.1626,2.9156,1.2671;.9917,1.838,2.9506;-.7836,1.8516,2.9456;.5852,3.8415,1.6954;-.8585,3.1496,.9028;1.0098,2.3479,.2261;.9798,2.8557,-.6514;.1174,.5326,1.5342;-.8243,.1581,1.4499; Gaussian 16 GINC-BERON07 GRUFOR coments ES64L-G16RevC.02 105 C1[X(C10H18BN4O4)] UwB97XD def2SVP Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk UwB97XD/def2SVPFreq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 250.94240000000002 AuxInfo=1/0/N:3,4,28,29,1,27,2,5,36,34;19,20,11,13,14,15,17,16,18/E:(1,2)(3,4)(7,8)(9,10);(1,2)(4,5)(6,7)(8,9)/CRV:1.3,2.3,5.3,6.4;3.3,4.3,5.3,6.1,7.1/rA:37nC3NC3C3NHHHHHC3HC3C3O1OO1OCCHHHHHHB4CCHHHHNHNH/rB:s1;s2;s3;s1s4;s2;s3;s4;s5;;;s11;s11;s11;s13;s13;s14;s14;s16;s18;s19;s19;s19;s20;s20;s20;s1s10;;s28;s28;s28;s29;s29;s27s29;s34;s27s28;s36;/rC:2.118,.0953,-.1891;2.3754,-1.1529,-.5914;3.7263,-1.327,-.7907;4.3228,-.135,-.5079;3.3035,.7167,-.1446;1.6076,-1.8459,-.6995;4.1525,-2.2709,-1.1155;5.3655,.1643,-.5375;3.3289,1.6945,.1393;-.1019,.4011,-.7416;-1.3075,-.7453,-1.2108;-.9757,-.8346,-2.2452;-2.4253,.1598,-.9429;-.9101,-1.8352,-.3419;-2.876,.4598,.1392;-2.866,.7233,-2.0868;.0684,-2.5483,-.5569;-1.6476,-1.9868,.7541;-3.8754,1.7021,-1.9426;-1.1219,-2.8237,1.7692;-4.1083,2.0568,-2.9534;-4.7765,1.2782,-1.4751;-3.5287,2.5402,-1.319;-.2219,-2.3557,2.1975;-1.9028,-2.8986,2.5341;-.8706,-3.8188,1.3777;.7389,.8659,.2032;.1014,1.7782,2.2957;.1626,2.9156,1.2671;.9917,1.838,2.9506;-.7836,1.8516,2.9456;.5852,3.8415,1.6954;-.8585,3.1496,.9028;1.0098,2.3479,.2261;.9798,2.8557,-.6514;.1174,.5326,1.5342;-.8243,.1581,1.4499; coments Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 12 14 12 12 14 1 1 1 1 1 12 1 12 12 16 16 16 16 12 12 1 1 1 1 1 1 11 12 12 1 1 1 1 14 1 14 1 12.0000000 14.0030740 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 11.0093053 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 14.0030740 1.0078250 14.0030740 1.0078250 0 2 0 0 2 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 1 1 1 1 1 1 3 0 0 1 1 1 1 2 1 2 1 3.6000000 4.5500000 3.6000000 3.6000000 4.5500000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 3.6000000 3.6000000 5.6000000 5.6000000 5.6000000 5.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 2.7500000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 4.5500000 1.0000000 4.5500000 1.0000000 (Enter /NFS_R1/Userdata/grufor/SOFTWARE/g16/l101.exe) Structure from the checkpoint file: "87_2COOME_TS.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 1 1 1 2 2 3 3 4 4 5 6 10 10 11 11 11 13 13 14 14 16 18 19 19 19 20 20 20 27 27 28 28 28 28 29 29 29 34 36 2 5 27 3 6 4 7 5 8 9 17 11 27 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 34 36 29 30 31 36 32 33 34 35 37 1.3365 1.3392 1.6277 1.3765 1.0399 1.3626 1.0854 1.3771 1.0852 1.0185 1.6979 1.7285 1.3474 1.09 1.463 1.4495 1.21 1.3491 1.2298 1.3297 1.4134 1.4167 1.0963 1.1001 1.1006 1.1012 1.0956 1.0985 1.5067 1.5063 1.5348 1.1068 1.1004 1.46 1.1042 1.1091 1.4573 1.0144 1.017 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 2 2 5 1 1 3 2 2 4 3 3 5 1 1 4 2 11 10 10 10 12 12 13 11 11 15 11 11 17 13 6 14 16 16 16 21 21 22 18 18 18 24 24 25 1 1 1 10 10 34 29 29 29 30 30 31 28 28 28 32 32 33 27 27 29 27 27 28 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 10 11 11 11 11 11 11 13 13 13 14 14 14 16 17 18 19 19 19 19 19 19 20 20 20 20 20 20 27 27 27 27 27 27 28 28 28 28 28 28 29 29 29 29 29 29 34 34 34 36 36 36 5 27 27 3 6 6 4 7 7 5 8 8 4 9 9 17 27 12 13 14 13 14 14 15 16 16 17 18 18 19 14 20 21 22 23 22 23 23 24 25 26 25 26 26 10 34 36 34 36 36 30 31 36 31 36 36 32 33 34 33 34 34 29 35 35 28 37 37 105.8361 132.6753 121.4886 110.5297 120.7629 128.6986 106.7944 122.594 130.6114 105.7681 131.0118 123.22 111.0689 118.4775 130.4532 159.4349 148.6854 95.7192 94.18 98.3227 117.2004 115.0756 124.3934 126.995 110.6529 122.2081 123.324 115.3281 121.2884 115.8513 119.7442 116.8831 106.3621 111.1885 111.1155 110.0217 110.0612 108.0982 109.3191 106.031 111.389 109.882 109.6686 110.4865 101.3305 108.4809 117.2452 117.523 106.6041 106.1607 108.927 112.235 106.3962 107.0872 110.2404 111.949 112.1313 109.8666 102.3073 107.629 112.4114 112.5044 106.8335 118.2901 113.937 106.0604 112.9745 110.3177 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 5 5 27 27 2 2 27 27 2 2 2 5 5 5 1 1 6 6 1 3 2 2 7 7 3 3 8 8 2 27 27 27 11 11 11 10 10 12 12 14 14 10 10 12 12 13 13 11 15 11 18 11 17 13 13 13 14 14 14 1 1 10 10 36 36 1 1 10 10 34 34 30 30 30 31 31 31 36 36 36 29 29 30 30 31 31 28 28 32 32 33 33 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 4 4 4 4 6 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 13 13 14 14 14 14 16 16 16 18 18 18 27 27 27 27 27 27 27 27 27 27 27 27 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 29 29 29 29 29 29 2 2 2 2 5 5 5 5 27 27 27 27 27 27 3 3 3 3 6 6 4 4 4 4 5 5 5 5 17 11 11 11 27 27 27 13 13 13 13 13 13 14 14 14 14 14 14 16 16 17 17 18 18 19 19 19 20 20 20 34 34 34 34 34 34 36 36 36 36 36 36 29 29 29 29 29 29 29 29 29 36 36 36 36 36 36 34 34 34 34 34 34 3 6 3 6 4 9 4 9 10 34 36 10 34 36 4 7 4 7 17 17 5 8 5 8 1 9 1 9 14 12 13 14 1 34 36 15 16 15 16 15 16 17 18 17 18 17 18 19 19 6 6 20 20 21 22 23 24 25 26 29 35 29 35 29 35 28 37 28 37 28 37 32 33 34 32 33 34 32 33 34 27 37 27 37 27 37 27 35 27 35 27 35 0.5391 179.5502 -179.4932 -0.482 -0.4733 179.7315 179.5545 -0.2407 -40.7416 -165.0666 74.7884 139.222 14.897 -105.248 -0.4079 179.7251 -179.3191 0.8139 -14.3865 164.4269 0.1055 -179.833 179.9579 0.0194 0.2288 179.9922 -179.8266 -0.0633 22.5672 -144.0317 98.0679 -27.6009 94.9189 -147.1145 -28.2401 -76.1013 99.5761 -174.7226 0.9548 26.9552 -157.3674 -75.8269 101.3962 24.5221 -158.2548 -176.7454 0.4777 -175.0402 0.8799 57.9095 -119.1533 -165.9366 11.3482 179.5786 -60.652 59.8022 66.8593 -174.7367 -54.4967 -146.5376 83.354 99.3992 -30.7092 -19.7104 -149.8188 118.8462 -120.1893 -128.563 -7.5985 -2.5151 118.4495 -36.4395 -156.0817 84.2235 81.9691 -37.6731 -157.3679 -155.2645 85.0933 -34.6015 22.6632 -100.0011 -95.2973 142.0384 145.6094 22.9451 32.6201 165.1563 153.0888 -74.3749 -85.212 47.3242 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. saddle point Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. -0.00126 0.00081 0.00095 0.00167 0.00255 0.00305 0.00415 0.00422 0.00635 0.00669 0.00705 0.00828 0.01084 0.01253 0.01335 0.01466 0.01706 0.01852 0.01923 0.01971 0.02094 0.02341 0.02583 0.03192 0.03768 0.04287 0.04320 0.04437 0.04519 0.04707 0.04740 0.05308 0.05673 0.05754 0.05979 0.06713 0.07337 0.07536 0.07843 0.08069 0.08224 0.08239 0.08349 0.08462 0.08501 0.09090 0.09586 0.10215 0.10422 0.10542 0.10818 0.12446 0.13218 0.13382 0.13661 0.16637 0.17944 0.18917 0.18932 0.19023 0.19216 0.20145 0.21706 0.22466 0.23725 0.24416 0.25511 0.25607 0.26153 0.27013 0.27323 0.28583 0.29857 0.31079 0.31571 0.32845 0.33681 0.34122 0.34218 0.34285 0.34429 0.34835 0.35409 0.35627 0.36202 0.36474 0.37152 0.38124 0.38339 0.38402 0.38514 0.40032 0.40244 0.41794 0.44578 0.45920 0.46174 0.46558 0.46956 0.48457 0.48994 0.51649 0.59892 0.79676 0.89526 R12 D67 D66 D61 D69 1 -0.48612 0.26050 0.19849 -0.18690 0.18126 D60 A17 D86 D84 D82 Angle between quadratic step and forces= 70.31 degrees. 1 2 0.00028144 0.00000005 0.00000003 0.00000001 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 2.52564 2.53074 3.07589 2.60130 1.96518 2.57503 2.05119 2.60235 2.05072 1.92470 3.20853 3.26647 2.54631 2.05971 2.76468 2.73911 2.28649 2.54951 2.32390 2.51271 2.67089 2.67720 2.07174 2.07895 2.07986 2.08093 2.07044 2.07593 2.84732 2.84653 2.90034 2.09153 2.07949 2.75907 2.08660 2.09588 2.75397 1.91685 1.92177 1.84719 2.31562 2.12038 1.92911 2.10771 2.24621 1.86391 2.13967 2.27960 1.84600 2.28659 2.15060 1.93852 2.06782 2.27684 2.78266 2.59505 1.67062 1.64375 1.71605 2.04553 2.00845 2.17107 2.21648 1.93126 2.13293 2.15241 2.01285 2.11688 2.02199 2.08993 2.03999 1.85637 1.94061 1.93933 1.92024 1.92093 1.88667 1.90798 1.85059 1.94410 1.91780 1.91408 1.92835 1.76855 1.89335 2.04631 2.05116 1.86059 1.85285 1.90113 1.95887 1.85696 1.86902 1.92406 1.95388 1.95706 1.91753 1.78560 1.87848 1.96195 1.96357 1.86460 2.06455 1.98858 1.85110 1.97178 1.92541 0.00941 3.13374 -3.13275 -0.00841 -0.00826 3.13691 3.13382 -0.00420 -0.71107 -2.88096 1.30530 2.42988 0.26000 -1.83692 -0.00712 3.13680 -3.12971 0.01421 -0.25109 2.86979 0.00184 -3.13868 3.14086 0.00034 0.00399 3.14146 -3.13857 -0.00110 0.39387 -2.51383 1.71161 -0.48173 1.65665 -2.56763 -0.49288 -1.32822 1.73793 -3.04948 0.01666 0.47046 -2.74658 -1.32343 1.76970 0.42799 -2.76207 -3.08479 0.00834 -3.05503 0.01536 1.01071 -2.07962 -2.89614 0.19806 3.13424 -1.05858 1.04375 1.16691 -3.04973 -0.95115 -2.55756 1.45480 1.73484 -0.53598 -0.34401 -2.61483 2.07426 -2.09770 -2.24385 -0.13262 -0.04390 2.06733 -0.63599 -2.72414 1.46998 1.43063 -0.65752 -2.74659 -2.70988 1.48516 -0.60391 0.39555 -1.74535 -1.66325 2.47904 2.54136 0.40047 0.56933 2.88252 2.67190 -1.29809 -1.48723 0.82596 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00003 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00003 -0.00042 0.00011 0.00000 0.00000 0.00002 0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00001 0.00000 -0.00005 0.00005 -0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00002 -0.00001 0.00016 0.00009 -0.00001 0.00005 0.00010 -0.00001 -0.00002 -0.00003 -0.00002 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00004 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00005 -0.00000 -0.00001 0.00000 -0.00003 -0.00001 -0.00008 0.00006 0.00001 0.00002 -0.00005 0.00004 -0.00001 0.00002 0.00000 0.00000 -0.00002 0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00001 0.00001 -0.00005 -0.00006 -0.00003 0.00001 0.00003 0.00000 0.00002 -0.00000 0.00000 0.00000 0.00001 -0.00005 -0.00006 -0.00016 -0.00006 -0.00007 -0.00017 -0.00001 0.00001 -0.00003 -0.00002 0.00047 0.00050 0.00000 0.00000 -0.00001 -0.00001 0.00000 -0.00001 0.00000 -0.00001 -0.00054 -0.00031 -0.00031 -0.00031 0.00030 0.00032 0.00034 0.00008 0.00005 0.00006 0.00004 0.00024 0.00021 0.00019 0.00023 0.00023 0.00027 0.00006 0.00010 0.00004 0.00001 -0.00008 -0.00012 -0.00025 -0.00021 -0.00006 -0.00007 -0.00007 -0.00020 -0.00017 -0.00019 0.00007 0.00005 0.00012 0.00010 0.00014 0.00012 -0.00007 -0.00018 -0.00020 -0.00031 -0.00018 -0.00029 -0.00010 -0.00010 -0.00010 -0.00009 -0.00010 -0.00009 -0.00007 -0.00008 -0.00007 0.00016 0.00028 0.00018 0.00030 0.00018 0.00030 -0.00005 -0.00003 -0.00005 -0.00003 -0.00004 -0.00002 0.00000 0.00000 -0.00003 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00003 -0.00042 0.00011 0.00000 0.00000 0.00002 0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00001 0.00000 -0.00005 0.00005 -0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00002 -0.00001 0.00016 0.00009 -0.00001 0.00005 0.00010 -0.00001 -0.00002 -0.00003 -0.00002 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00004 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00005 -0.00000 -0.00001 0.00000 -0.00003 -0.00001 -0.00008 0.00006 0.00001 0.00002 -0.00005 0.00004 -0.00001 0.00002 0.00000 0.00000 -0.00002 0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00001 0.00001 -0.00005 -0.00006 -0.00003 0.00001 0.00003 0.00000 0.00002 -0.00000 0.00000 0.00000 0.00001 -0.00005 -0.00006 -0.00016 -0.00006 -0.00007 -0.00017 -0.00001 0.00001 -0.00003 -0.00002 0.00047 0.00050 0.00000 0.00000 -0.00001 -0.00001 0.00000 -0.00001 0.00000 -0.00001 -0.00054 -0.00031 -0.00031 -0.00031 0.00030 0.00032 0.00034 0.00008 0.00005 0.00006 0.00004 0.00024 0.00021 0.00019 0.00023 0.00023 0.00027 0.00006 0.00010 0.00004 0.00001 -0.00008 -0.00012 -0.00025 -0.00021 -0.00006 -0.00007 -0.00007 -0.00020 -0.00017 -0.00019 0.00007 0.00005 0.00012 0.00010 0.00014 0.00012 -0.00007 -0.00018 -0.00020 -0.00031 -0.00018 -0.00029 -0.00010 -0.00010 -0.00010 -0.00009 -0.00010 -0.00009 -0.00007 -0.00008 -0.00007 0.00016 0.00028 0.00018 0.00030 0.00018 0.00030 -0.00005 -0.00003 -0.00005 -0.00003 -0.00004 -0.00002 2.52564 2.53074 3.07586 2.60129 1.96518 2.57503 2.05119 2.60236 2.05072 1.92470 3.20856 3.26605 2.54642 2.05972 2.76469 2.73913 2.28649 2.54951 2.32390 2.51271 2.67089 2.67719 2.07174 2.07895 2.07986 2.08093 2.07044 2.07593 2.84731 2.84653 2.90034 2.09153 2.07949 2.75908 2.08660 2.09588 2.75397 1.91685 1.92178 1.84719 2.31557 2.12043 1.92911 2.10770 2.24623 1.86392 2.13967 2.27960 1.84600 2.28659 2.15059 1.93852 2.06784 2.27682 2.78282 2.59514 1.67061 1.64380 1.71616 2.04552 2.00843 2.17105 2.21646 1.93127 2.13293 2.15241 2.01286 2.11688 2.02199 2.08989 2.03999 1.85637 1.94061 1.93933 1.92024 1.92093 1.88667 1.90803 1.85059 1.94410 1.91781 1.91405 1.92834 1.76847 1.89341 2.04632 2.05118 1.86054 1.85289 1.90112 1.95889 1.85697 1.86903 1.92404 1.95388 1.95707 1.91753 1.78559 1.87849 1.96195 1.96357 1.86459 2.06457 1.98858 1.85106 1.97172 1.92537 0.00941 3.13377 -3.13275 -0.00839 -0.00827 3.13691 3.13382 -0.00419 -0.71113 -2.88102 1.30514 2.42983 0.25994 -1.83709 -0.00712 3.13680 -3.12974 0.01419 -0.25062 2.87029 0.00184 -3.13868 3.14085 0.00032 0.00399 3.14145 -3.13856 -0.00111 0.39334 -2.51414 1.71130 -0.48204 1.65694 -2.56731 -0.49254 -1.32813 1.73799 -3.04942 0.01670 0.47070 -2.74637 -1.32324 1.76993 0.42822 -2.76180 -3.08473 0.00843 -3.05499 0.01537 1.01063 -2.07974 -2.89639 0.19785 3.13417 -1.05865 1.04368 1.16672 -3.04990 -0.95134 -2.55749 1.45486 1.73496 -0.53588 -0.34387 -2.61471 2.07419 -2.09788 -2.24405 -0.13292 -0.04408 2.06704 -0.63609 -2.72424 1.46988 1.43054 -0.65762 -2.74668 -2.70995 1.48508 -0.60398 0.39571 -1.74507 -1.66307 2.47934 2.54155 0.40077 0.56927 2.88249 2.67185 -1.29812 -1.48727 0.82594 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000004 0.000001 0.001680 0.000281 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -4.081136e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 1 1 1 2 2 3 3 4 4 5 6 10 10 11 11 11 13 13 14 14 16 18 19 19 19 20 20 20 27 27 28 28 28 28 29 29 29 34 36 2 5 27 3 6 4 7 5 8 9 17 11 27 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 34 36 29 30 31 36 32 33 34 35 37 1.3365 1.3392 1.6277 1.3765 1.0399 1.3626 1.0854 1.3771 1.0852 1.0185 1.6979 1.7285 1.3474 1.09 1.463 1.4495 1.21 1.3491 1.2298 1.3297 1.4134 1.4167 1.0963 1.1001 1.1006 1.1012 1.0956 1.0985 1.5067 1.5063 1.5348 1.1068 1.1004 1.46 1.1042 1.1091 1.4573 1.0144 1.017 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 2 2 5 1 1 3 2 2 4 3 3 5 1 1 4 2 11 10 10 10 12 12 13 11 11 15 11 11 17 13 6 14 16 16 16 21 21 22 18 18 18 24 24 25 1 1 1 10 10 34 29 29 29 30 30 31 28 28 28 32 32 33 27 27 29 27 27 28 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 10 11 11 11 11 11 11 13 13 13 14 14 14 16 17 18 19 19 19 19 19 19 20 20 20 20 20 20 27 27 27 27 27 27 28 28 28 28 28 28 29 29 29 29 29 29 34 34 34 36 36 36 5 27 27 3 6 6 4 7 7 5 8 8 4 9 9 17 27 12 13 14 13 14 14 15 16 16 17 18 18 19 14 20 21 22 23 22 23 23 24 25 26 25 26 26 10 34 36 34 36 36 30 31 36 31 36 36 32 33 34 33 34 34 29 35 35 28 37 37 105.8361 132.6753 121.4886 110.5297 120.7629 128.6986 106.7944 122.594 130.6114 105.7681 131.0118 123.22 111.0689 118.4775 130.4532 159.4349 148.6854 95.7192 94.18 98.3227 117.2004 115.0756 124.3934 126.995 110.6529 122.2081 123.324 115.3281 121.2884 115.8513 119.7442 116.8831 106.3621 111.1885 111.1155 110.0217 110.0612 108.0982 109.3191 106.031 111.389 109.882 109.6686 110.4865 101.3305 108.4809 117.2452 117.523 106.6041 106.1607 108.927 112.235 106.3962 107.0872 110.2404 111.949 112.1313 109.8666 102.3073 107.629 112.4114 112.5044 106.8335 118.2901 113.937 106.0604 112.9745 110.3177 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 5 5 27 27 2 2 27 27 2 2 2 5 5 5 1 1 6 6 1 3 2 2 7 7 3 3 8 8 2 27 27 27 11 11 11 10 10 12 12 14 14 10 10 12 12 13 13 11 15 11 18 11 17 13 13 13 14 14 14 1 1 10 10 36 36 1 1 10 10 34 34 30 30 30 31 31 31 36 36 36 29 29 30 30 31 31 28 28 32 32 33 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 4 4 4 4 6 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 13 13 14 14 14 14 16 16 16 18 18 18 27 27 27 27 27 27 27 27 27 27 27 27 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 29 29 29 29 29 2 2 2 2 5 5 5 5 27 27 27 27 27 27 3 3 3 3 6 6 4 4 4 4 5 5 5 5 17 11 11 11 27 27 27 13 13 13 13 13 13 14 14 14 14 14 14 16 16 17 17 18 18 19 19 19 20 20 20 34 34 34 34 34 34 36 36 36 36 36 36 29 29 29 29 29 29 29 29 29 36 36 36 36 36 36 34 34 34 34 34 3 6 3 6 4 9 4 9 10 34 36 10 34 36 4 7 4 7 17 17 5 8 5 8 1 9 1 9 14 12 13 14 1 34 36 15 16 15 16 15 16 17 18 17 18 17 18 19 19 6 6 20 20 21 22 23 24 25 26 29 35 29 35 29 35 28 37 28 37 28 37 32 33 34 32 33 34 32 33 34 27 37 27 37 27 37 27 35 27 35 27 0.5391 179.5502 -179.4932 -0.482 -0.4733 179.7315 179.5545 -0.2407 -40.7416 -165.0666 74.7884 139.222 14.897 -105.248 -0.4079 179.7251 -179.3191 0.8139 -14.3865 164.4269 0.1055 -179.833 179.9579 0.0194 0.2288 179.9922 -179.8266 -0.0633 22.5672 -144.0317 98.0679 -27.6009 94.9189 -147.1145 -28.2401 -76.1013 99.5761 -174.7226 0.9548 26.9552 -157.3674 -75.8269 101.3962 24.5221 -158.2548 -176.7454 0.4777 -175.0402 0.8799 57.9095 -119.1533 -165.9366 11.3482 179.5786 -60.652 59.8022 66.8593 -174.7367 -54.4967 -146.5376 83.354 99.3992 -30.7092 -19.7104 -149.8188 118.8462 -120.1893 -128.563 -7.5985 -2.5151 118.4495 -36.4395 -156.0817 84.2235 81.9691 -37.6731 -157.3679 -155.2645 85.0933 -34.6015 22.6632 -100.0011 -95.2973 142.0384 145.6094 22.9451 32.6201 165.1563 153.0888 -74.3749 -85.212 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 375 A 356 A 356 601 375 72 71 1539.7188669663 37 37 37 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 Grimme-D2 -0.0286537463 0.000000 1.336510 0.000000 2.229692 1.376547 0.000000 2.239616 2.199010 1.362648 0.000000 1.339211 2.134622 2.184742 1.377107 0.000000 2.071113 1.039927 2.183198 3.215039 3.122685 0.000000 3.255271 2.163986 1.085445 2.227226 3.254185 2.613499 0.000000 3.266875 3.267833 2.230514 1.085194 2.170606 4.264868 2.781316 0.000000 2.032632 3.090500 3.186317 2.180336 1.018509 4.025095 4.240042 2.635821 0.000000 2.307985 2.928258 4.200470 4.463212 3.471725 2.823743 5.037863 5.476361 3.770863 0.000000 3.672150 3.756817 5.084681 5.706765 4.953356 3.157668 5.669995 6.768304 5.410347 1.728543 0.000000 3.829268 3.750481 4.946375 5.619778 5.013066 3.175765 5.444073 6.642661 5.532813 2.133392 1.089954 0.000000 4.605869 4.989342 6.330542 6.768550 5.810911 4.510721 7.014716 7.801362 6.052893 2.344549 1.463008 2.187738 0.000000 3.594418 3.364875 4.685700 5.504722 4.930088 2.543010 5.139919 6.589368 5.537144 2.411258 1.449475 2.151305 2.576257 0.000000 5.017974 5.541779 6.902660 7.252211 6.191270 5.110979 7.644005 8.274464 6.326491 2.911082 2.394739 3.312368 1.209956 3.059930 0.000000 5.369896 5.764428 7.024379 7.410032 6.467993 5.342178 7.692126 8.394677 6.653979 3.090867 2.313638 2.454700 1.349142 3.662818 2.241496 0.000000 3.365277 2.696394 3.863444 4.891491 4.614796 1.697879 4.131466 5.951298 5.396064 2.960136 2.360464 2.622447 3.701562 1.229755 4.266483 4.653485 0.000000 4.405016 4.323180 5.630243 6.377076 5.712195 3.567744 6.100593 7.448377 6.220533 3.213750 2.349047 3.282502 2.844744 1.329669 2.805890 4.110950 2.231312 0.000000 6.447980 7.003467 8.263598 8.523073 7.465881 6.648061 8.995329 9.472715 7.499005 4.168165 3.622009 3.864536 2.341092 4.885445 2.622155 1.413373 5.961512 5.083623 0.000000 4.780457 4.538210 5.683145 6.485345 5.981736 3.807988 6.037151 7.505717 6.548341 4.212353 3.637979 4.482552 4.237388 2.340654 4.063869 5.521914 2.627491 1.416713 6.468498 0.000000 7.089125 7.610500 8.803881 9.048104 8.038680 7.278957 9.505187 9.958489 8.062767 4.866680 4.328118 4.321464 3.236243 5.674176 3.692309 2.018055 6.662980 6.012626 1.096317 7.418940 0.000000 7.112433 7.605294 8.919212 9.259024 8.208009 7.149708 9.615241 10.245961 8.275059 4.812354 4.024672 4.416220 2.657452 5.091789 2.624428 2.081324 6.241664 5.041798 1.100132 6.380178 1.799466 0.000000 6.256152 7.001936 8.238292 8.334323 7.168225 6.782616 9.065876 9.239209 7.061768 4.080687 3.967347 4.331891 2.650536 5.191932 2.623026 2.080809 6.278004 5.322606 1.100614 6.640843 1.800296 1.781549 0.000000 4.144625 3.996272 5.057153 5.736240 5.229954 3.463958 5.488015 6.711836 5.766095 4.031409 3.922818 4.755958 4.587440 2.681956 4.382660 5.901376 2.776354 2.062015 6.852252 1.101183 7.817022 6.887468 6.875328 0.000000 5.704898 5.578441 6.723854 7.459846 6.881172 4.887420 7.097928 8.464270 7.362199 4.986090 4.360671 5.287818 4.660041 3.222944 4.238087 5.949624 3.682772 2.016129 6.715477 1.095627 7.715730 6.463507 6.860744 1.798226 0.000000 5.167884 4.639050 5.660555 6.640593 6.349097 3.787917 5.817528 7.643413 7.040332 4.784379 4.042068 4.694909 4.861275 2.625516 4.884931 6.051085 2.497744 2.085430 7.108732 1.098534 7.985284 7.026705 7.401040 1.798247 1.802679 0.000000 1.627691 2.717504 3.836741 3.788324 2.592302 2.987167 4.819853 4.737711 2.720044 1.347449 2.963637 3.438914 3.438682 3.211276 3.638179 4.273146 3.561472 3.759837 5.157040 4.419050 5.905785 5.779831 4.830458 3.908762 5.155839 5.090806 0.000000 3.615653 4.700848 5.683986 5.416702 4.163516 4.937005 6.666587 6.192131 3.882497 3.341107 4.544104 5.348545 4.415010 4.586591 3.905565 5.396721 5.182418 4.428340 5.812352 4.790697 6.734476 6.185707 5.179260 4.147596 5.093648 5.754459 2.370143 0.000000 3.728062 4.990396 5.910557 5.455685 4.085753 5.350546 6.964002 6.156061 3.576114 3.229218 4.658748 5.262771 4.379077 5.129367 4.066449 5.022688 5.761184 5.251046 5.299019 5.902702 6.065599 5.881790 4.522691 5.366544 6.298866 6.814156 2.380307 1.534795 0.000000 3.763424 4.838029 5.611845 5.191385 4.022647 5.222466 6.588476 5.839407 3.658756 4.110110 5.410855 6.165227 5.445341 5.286794 4.976149 6.441996 5.691714 5.139968 6.902837 5.253072 7.804818 7.291896 6.257492 4.430234 5.566575 6.159718 2.925298 1.106792 2.163925 0.000000 4.618437 5.613982 6.663485 6.476745 5.247946 5.716302 7.606116 7.265678 4.981194 4.020465 4.928942 5.847854 4.547344 4.941292 3.767138 5.561892 5.687984 4.503578 5.785834 4.832864 6.774592 5.984573 5.118306 4.309995 4.897528 5.883834 3.287969 1.100417 2.201069 1.775283 0.000000 4.464828 5.777434 6.539163 5.885299 4.531982 6.255220 7.615058 6.431117 3.815604 4.271699 5.750406 6.311182 5.438652 6.213829 5.083011 5.994898 6.794861 6.311880 6.140692 6.880709 6.842962 6.735739 5.263486 6.269595 7.233353 7.803882 3.332402 2.202656 1.104181 2.398829 2.719583 0.000000 4.402344 5.585960 6.627863 6.294817 4.933372 5.796975 7.652893 7.051597 4.498269 3.291042 4.454175 5.079197 3.847206 5.138189 3.447965 4.342220 5.954593 5.198815 4.392364 6.041589 5.160079 4.950504 3.526750 5.691203 6.350777 6.984661 2.873505 2.177755 1.109092 3.055613 2.421507 1.786356 0.000000 2.544496 3.845623 4.681663 4.204685 2.838853 4.336144 5.745447 4.931877 2.410932 2.441771 4.123389 4.491982 4.237252 4.637557 4.321017 4.796925 5.047002 5.111688 5.383740 5.802607 6.032359 6.125297 4.798172 5.246538 6.429204 6.549046 1.506735 2.330871 1.457337 2.771805 3.295153 2.137767 2.142714 0.000000 3.021420 4.245056 5.005784 4.487833 3.198729 4.743625 6.046838 5.146979 2.737136 2.683880 4.302526 4.470183 4.352882 5.066787 4.607800 4.625726 5.481171 5.685775 5.154593 6.521664 5.641466 6.025061 4.568554 6.059565 7.181096 7.217383 2.178957 3.258581 2.086214 3.743029 4.129936 2.575892 2.425131 1.014352 0.000000 2.676425 3.529535 4.678349 4.722408 3.605981 3.587092 5.582361 5.654205 3.689102 2.290110 3.346414 4.165083 3.569376 3.190912 3.303265 4.695584 3.723869 3.173433 5.421966 3.585473 6.349702 5.793268 5.046332 2.982754 4.105310 4.464887 1.506318 1.460039 2.398416 2.115376 2.131597 3.345708 2.863593 2.408872 3.304173 0.000000 3.368608 4.015472 5.285236 5.514699 4.460168 3.814482 6.103335 6.501064 4.618171 2.320250 2.851149 3.829118 2.879002 2.681640 2.453194 4.122604 3.485568 2.400478 4.816782 3.013565 5.811950 5.042784 4.544753 2.690873 3.417848 3.977858 2.121093 2.048668 2.934521 2.893474 2.259818 3.951498 3.041355 3.107513 3.866183 1.016959 0.000000 C10H18BN4O4(2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 250.94240000000002 AuxInfo=1/0/N:3,4,28,29,1,27,2,5,36,34;19,20,11,13,14,15,17,16,18/E:(1,2)(3,4)(7,8)(9,10);(1,2)(4,5)(6,7)(8,9)/CRV:1.3,2.3,5.3,6.4;3.3,4.3,5.3,6.1,7.1/rA:37nC3NC3C3NHHHHHC3HC3C3O1OO1OCCHHHHHHB4CCHHHHNHNH/rB:s1;s2;s3;s1s4;s2;s3;s4;s5;;;s11;s11;s11;s13;s13;s14;s14;s16;s18;s19;s19;s19;s20;s20;s20;s1s10;;s28;s28;s28;s29;s29;s27s29;s34;s27s28;s36;/rC:2.1013,.2593,-.4083;2.4294,-.9896,-.753;3.7607,-1.062,-1.0954;4.2699,.1951,-.9644;3.2209,.9817,-.5433;1.723,-1.7523,-.7245;4.2358,-1.9882,-1.4033;5.2703,.5796,-1.1347;3.1851,1.9771,-.3306;-.1845,.3297,-.719;-1.3211,-.9488,-.9672;-1.0975,-1.089,-2.0247;-2.483,-.125,-.6329;-.7303,-1.9301,-.079;-2.8387,.2181,.4715;-3.0972,.3085,-1.7532;.2815,-2.5711,-.3576;-1.3258,-2.0591,1.1028;-4.1722,1.2052,-1.559;-.616,-2.7668,2.104;-4.5467,1.4593,-2.5576;-4.9729,.743,-.9628;-3.8398,2.1157,-1.0375;.2775,-2.1915,2.3926;-1.298,-2.849,2.9576;-.3165,-3.764,1.7538;.7072,.9366,.0886;.2195,1.95,2.1749;.0605,3.0055,1.0721;1.1664,2.1365,2.7167;-.5921,1.9972,2.9166;.4385,3.9946,1.3854;-1.0117,3.1221,.8138;.8384,2.4337,-.0196;.6649,2.8677,-.9198;.2691,.6552,1.5021;-.6368,.1959,1.5528; 0.4610290 0.2790504 0.2334233 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 375 375 375 375 375 MxSgAt= 37 MxSgA2= 37. 1 open 1 1 1 -935.695392625234 -935.695392625 1 0.7557 9.267585821253e+02 -5.262841560085e+03 1.860697372115e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3145728000 LenX= 3145437312 LenY= 3145296246 Requested convergence on RMS density matrix=1.00D-08 within 32 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 0.7557 Using compressed storage, NAtomX= 37. Will process 38 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=1111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 11181 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 3145728000 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=T KAlg= 0 I1Cent= 0 FoldK=F IRaf= 1 NMat= 111 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 111 NMatS0= 111 NMatT0= 0 NMatD0= 111 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 114 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 111 vectors produced by pass 0 Test12= 4.07D-14 1.00D-09 XBig12= 1.63D+02 5.58D+00. AX will form 111 AO Fock derivatives at one time. 111 vectors produced by pass 1 Test12= 4.07D-14 1.00D-09 XBig12= 2.18D+01 9.62D-01. 111 vectors produced by pass 2 Test12= 4.07D-14 1.00D-09 XBig12= 6.48D-01 1.42D-01. 111 vectors produced by pass 3 Test12= 4.07D-14 1.00D-09 XBig12= 1.28D-02 1.42D-02. 111 vectors produced by pass 4 Test12= 4.07D-14 1.00D-09 XBig12= 2.03D-04 1.43D-03. 111 vectors produced by pass 5 Test12= 4.07D-14 1.00D-09 XBig12= 2.27D-06 1.29D-04. 111 vectors produced by pass 6 Test12= 4.07D-14 1.00D-09 XBig12= 2.19D-08 9.65D-06. 74 vectors produced by pass 7 Test12= 4.07D-14 1.00D-09 XBig12= 1.92D-10 1.14D-06. 10 vectors produced by pass 8 Test12= 4.07D-14 1.00D-09 XBig12= 1.75D-12 8.75D-08. 3 vectors produced by pass 9 Test12= 4.07D-14 1.00D-09 XBig12= 1.56D-14 6.22D-09. InvSVY: IOpt=1 It= 1 EMax= 8.88D-15 Solved reduced A of dimension 864 with 114 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 173.89 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 203.143 11.402 181.161 0.831 9.885 137.374 189.335 6.074 187.539 -6.042 11.377 156.860 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 C N C C N H H H H H C H C C O O O O C C H H H H H H B C C H H H H N H N H 13 14 13 13 14 1 1 1 1 1 13 1 13 13 17 17 17 17 13 13 1 1 1 1 1 1 11 13 13 1 1 1 1 14 1 14 1 0.05121 0.00062 -0.00002 0.00161 0.00288 0.00019 0.00000 0.00027 0.00011 0.05107 0.16544 -0.00687 -0.02798 -0.02293 0.01923 0.00147 0.01976 0.01141 -0.00098 -0.00152 0.00001 0.00052 0.00050 0.00123 -0.00001 0.00068 0.04708 -0.00174 -0.00162 0.00095 -0.00009 0.00135 0.00089 0.01331 0.00156 0.00884 0.00291 57.56837 0.20049 -0.02303 1.81181 0.93198 0.82998 0.02204 1.22809 0.51327 228.29101 185.98997 -30.68651 -31.45308 -25.77665 -11.65488 -0.89392 -11.97657 -6.91535 -1.09771 -1.70714 0.03590 2.32920 2.22712 5.51622 -0.06676 3.05022 67.52423 -1.95901 -1.81597 4.22685 -0.40181 6.05523 3.95858 4.29953 6.95791 2.85569 12.98966 20.54183 0.07154 -0.00822 0.64650 0.33256 0.29616 0.00786 0.43821 0.18315 81.45991 66.36585 -10.94971 -11.22324 -9.19775 -4.15875 -0.31897 -4.27354 -2.46757 -0.39169 -0.60915 0.01281 0.83112 0.79469 1.96833 -0.02382 1.08839 24.09432 -0.69902 -0.64798 1.50825 -0.14338 2.16066 1.41252 1.53418 2.48275 1.01898 4.63504 19.20274 0.06688 -0.00768 0.60436 0.31088 0.27685 0.00735 0.40965 0.17121 76.14968 62.03958 -10.23592 -10.49162 -8.59817 -3.88765 -0.29818 -3.99496 -2.30671 -0.36616 -0.56944 0.01197 0.77694 0.74289 1.84001 -0.02227 1.01744 22.52366 -0.65345 -0.60574 1.40993 -0.13403 2.01981 1.32044 1.43417 2.32091 0.95256 4.33289 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 0.014771 0.001824 0.000813 0.000993 -0.005633 0.005094 0.001116 0.001623 0.002971 0.014437 0.106704 -0.020255 0.010860 -0.008024 0.073816 -0.001158 -0.042561 -0.023992 0.001123 -0.001260 0.000932 0.002498 0.000927 -0.001338 -0.001528 -0.001605 0.026099 -0.003832 -0.003238 -0.001530 -0.001404 -0.001745 -0.000607 0.099479 -0.007082 0.016624 -0.000501 -0.011480 -0.009790 -0.001785 -0.002469 -0.001766 0.000326 -0.000224 -0.000828 0.000165 0.002436 0.136429 -0.017175 -0.003939 0.028008 0.037402 0.032878 0.126056 0.053925 0.000553 -0.001065 -0.000369 -0.001170 0.000611 -0.000303 -0.000477 0.001422 -0.040937 0.000815 0.004717 -0.000384 -0.000502 0.002092 0.002507 -0.040302 0.003570 -0.034686 -0.002928 -0.003291 0.007966 0.000971 0.001476 0.007399 -0.005421 -0.000893 -0.000796 -0.003136 -0.016873 -0.243133 0.037430 -0.006920 -0.019984 -0.111218 -0.031720 -0.083494 -0.029933 -0.001676 0.002326 -0.000562 -0.001327 -0.001539 0.001641 0.002006 0.000183 0.014838 0.003017 -0.001480 0.001914 0.001906 -0.000347 -0.001900 -0.059177 0.003512 0.018063 0.003428 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 -0.015567 0.000473 -0.000955 -0.000137 0.008250 -0.000862 -0.000965 0.000280 0.001958 0.046345 0.391499 0.012617 -0.002184 0.023024 0.168850 0.032580 0.121413 0.070734 -0.001465 0.000781 -0.001267 -0.001389 -0.002176 0.000032 0.000359 -0.000870 0.063674 0.000827 -0.001055 0.000868 -0.000397 -0.000085 -0.002127 0.088286 0.003469 -0.044340 0.008437 -0.037117 0.007922 0.000237 -0.002426 -0.013064 -0.002122 -0.000540 -0.000431 -0.000950 0.032015 0.096007 -0.006712 -0.003591 0.011780 -0.004758 0.002852 0.042499 0.036268 0.001343 0.002444 0.001313 0.000435 0.000696 0.001457 -0.000326 0.000390 0.100466 -0.000049 -0.001519 0.001360 -0.000957 -0.000075 -0.001066 0.066998 -0.000434 0.079591 -0.003717 0.017336 0.006002 0.000918 0.000514 -0.018807 -0.000294 0.000339 0.000111 0.000346 0.024074 0.099316 0.016035 0.003606 0.006226 -0.000217 -0.003110 0.083641 0.051850 -0.000746 -0.001629 -0.000739 -0.000146 -0.000414 -0.002178 -0.001977 -0.002547 0.058309 0.004678 0.001015 0.002246 0.002434 0.002636 0.002148 0.032281 -0.009664 -0.040608 -0.001076 0.5367 -0.254 0.8047 0.4242 0.9056 0.0029 0.7294 -0.3398 -0.5937 -0.0335 -0.0187 0.0522 -4.498 -2.512 7.009 -1.605 -0.896 2.501 -1.5 -0.838 2.338 1 C 13 0.1666 0.9238 -0.3448 0.8363 -0.3176 -0.447 0.5224 0.2138 0.8254 -0.0119 -0.0026 0.0145 -0.461 -0.1 0.561 -0.164 -0.036 0.2 -0.154 -0.033 0.187 2 N 14 0.2954 0.9156 -0.2728 0.9089 -0.1813 0.3756 -0.2945 0.3589 0.8857 -0.0024 0.0011 0.0013 -0.318 0.148 0.17 -0.113 0.053 0.061 -0.106 0.049 0.057 3 C 13 -0.0817 0.9813 -0.1745 0.7412 0.1768 0.6476 -0.6663 0.0764 0.7417 -0.0025 -0.0012 0.0037 -0.342 -0.156 0.498 -0.122 -0.056 0.178 -0.114 -0.052 0.166 4 C 13 0.2821 0.681 0.6757 0.8692 -0.4796 0.1205 -0.4061 -0.5534 0.7272 -0.017 -0.012 0.029 -0.656 -0.463 1.119 -0.234 -0.165 0.399 -0.219 -0.154 0.373 5 N 14 0.1951 0.0735 0.978 0.1313 0.9863 -0.1003 0.972 -0.148 -0.1828 -0.0059 2.0E-4 0.0056 -3.13 0.129 3.001 -1.117 0.046 1.071 -1.044 0.043 1.001 6 H 1 0.1342 -0.2371 0.9622 0.4929 0.8583 0.1427 0.8597 -0.455 -0.2321 -0.0011 -7.0E-4 0.0018 -0.561 -0.385 0.946 -0.2 -0.137 0.338 -0.187 -0.128 0.316 7 H 1 0.1875 -0.6847 0.7043 0.0413 0.7219 0.6908 0.9814 0.1004 -0.1636 -0.001 -7.0E-4 0.0017 -0.543 -0.376 0.92 -0.194 -0.134 0.328 -0.181 -0.126 0.307 8 H 1 0.2053 -0.2049 0.957 -0.4028 0.8735 0.2734 0.892 0.4416 -0.0968 -0.0034 -6.0E-4 0.004 -1.822 -0.336 2.157 -0.65 -0.12 0.77 -0.608 -0.112 0.72 9 H 1 0.7193 -0.5398 -0.4373 0.0406 -0.5958 0.8021 0.6936 0.5947 0.4066 -0.0398 -0.0331 0.0729 -21.241 -17.679 38.92 -7.579 -6.308 13.888 -7.085 -5.897 12.982 10 H 1 0.729 -0.677 -0.1014 -0.046 -0.1962 0.9795 0.683 0.7093 0.1742 -0.2702 -0.2675 0.5378 -36.264 -35.901 72.165 -12.94 -12.81 25.75 -12.096 -11.975 24.072 11 C 13 0.6921 -0.6885 0.2168 0.7198 0.6806 -0.1367 -0.0534 0.2507 0.9666 -0.0349 -0.0071 0.042 -18.625 -3.762 22.388 -6.646 -1.343 7.989 -6.213 -1.255 7.468 12 H 1 0.095 -0.5151 0.8519 0.2639 0.8382 0.4773 0.9599 -0.1795 -0.2155 -0.0095 -0.0026 0.0121 -1.275 -0.345 1.62 -0.455 -0.123 0.578 -0.425 -0.115 0.54 13 C 13 -0.633 0.175 0.7541 0.6288 -0.4521 0.6327 0.4517 0.8746 0.1761 -0.0284 -0.0127 0.0412 -3.814 -1.708 5.522 -1.361 -0.609 1.97 -1.272 -0.57 1.842 14 C 13 -0.5713 0.6277 -0.5288 -0.3464 0.3997 0.8487 0.7441 0.668 -0.0109 -0.1161 -0.1094 0.2255 8.401 7.915 -16.315 2.998 2.824 -5.822 2.802 2.64 -5.442 15 O 17 -0.263 0.1746 0.9489 0.8143 -0.4873 0.3154 0.5175 0.8556 -0.0141 -0.0331 -0.0196 0.0526 2.394 1.415 -3.809 0.854 0.505 -1.359 0.799 0.472 -1.27 16 O 17 0.0022 -0.3315 0.9435 0.8971 -0.4161 -0.1483 0.4417 0.8467 0.2965 -0.1128 -0.1059 0.2187 8.161 7.663 -15.824 2.912 2.734 -5.646 2.722 2.556 -5.278 17 O 17 0.8684 -0.3603 -0.3406 0.1308 -0.4963 0.8583 0.4782 0.7899 0.3839 -0.0676 -0.0544 0.1219 4.889 3.935 -8.824 1.744 1.404 -3.149 1.631 1.313 -2.943 18 O 17 -0.3449 0.0696 0.9361 0.5679 0.8095 0.1491 0.7474 -0.583 0.3187 -0.0022 -6.0E-4 0.0028 -0.299 -0.082 0.381 -0.107 -0.029 0.136 -0.1 -0.027 0.127 19 C 13 0.7055 -0.5446 -0.4535 0.5907 0.8054 -0.0483 0.3915 -0.2338 0.89 -0.0034 -4.0E-4 0.0038 -0.461 -0.053 0.514 -0.164 -0.019 0.183 -0.154 -0.018 0.171 20 C 13 -0.4995 0.0079 0.8663 0.4025 0.8876 0.224 0.7671 -0.4606 0.4465 -0.0013 -0.0011 0.0025 -0.708 -0.603 1.311 -0.252 -0.215 0.468 -0.236 -0.201 0.437 21 H 1 0.3187 0.9478 -0.0025 -0.0989 0.0359 0.9945 0.9427 -0.3167 0.1052 -0.0016 -0.0014 0.003 -0.873 -0.734 1.608 -0.312 -0.262 0.574 -0.291 -0.245 0.536 22 H 1 -0.4088 -0.221 0.8855 0.5529 0.712 0.4329 0.7261 -0.6665 0.1688 -0.0018 -0.0013 0.0031 -0.937 -0.71 1.647 -0.334 -0.253 0.588 -0.313 -0.237 0.549 23 H 1 0.6743 -0.5273 -0.5171 0.6933 0.6931 0.1974 0.2543 -0.4916 0.8329 -0.0025 -9.0E-4 0.0034 -1.323 -0.476 1.799 -0.472 -0.17 0.642 -0.441 -0.159 0.6 24 H 1 0.7072 -0.6484 -0.2818 0.7002 0.5873 0.406 -0.0978 -0.4844 0.8693 -0.0017 -0.0014 0.0031 -0.922 -0.756 1.678 -0.329 -0.27 0.599 -0.308 -0.252 0.56 25 H 1 0.6586 0.5478 0.5158 0.7316 -0.3061 -0.6091 -0.1758 0.7786 -0.6024 -0.002 -0.0016 0.0036 -1.079 -0.835 1.915 -0.385 -0.298 0.683 -0.36 -0.279 0.639 26 H 1 0.7419 -0.4165 -0.5254 0.0531 0.8177 -0.5731 0.6684 0.3973 0.6288 -0.0808 -0.0777 0.1585 -13.834 -13.298 27.132 -4.936 -4.745 9.681 -4.615 -4.436 9.05 27 B 11 0.8877 -0.3837 0.2546 0.4582 0.6819 -0.5701 0.0451 0.6227 0.7812 -0.0042 -0.0025 0.0067 -0.564 -0.341 0.905 -0.201 -0.122 0.323 -0.188 -0.114 0.302 28 C 13 0.8748 0.049 0.4819 -0.4583 -0.2386 0.8562 -0.1569 0.9699 0.1863 -0.0041 -9.0E-4 0.0051 -0.555 -0.127 0.682 -0.198 -0.045 0.243 -0.185 -0.042 0.228 29 C 13 0.9511 -0.2442 -0.1893 0.1044 0.8305 -0.5472 0.2908 0.5007 0.8153 -0.002 -0.0018 0.0038 -1.08 -0.936 2.016 -0.385 -0.334 0.719 -0.36 -0.312 0.672 30 H 1 -0.3307 0.7675 -0.5491 0.9224 0.3858 -0.0162 -0.1994 0.5119 0.8356 -0.0021 -0.0016 0.0036 -1.106 -0.829 1.934 -0.395 -0.296 0.69 -0.369 -0.276 0.645 31 H 1 0.0618 -0.5366 0.8416 0.9979 0.0503 -0.0412 -0.0202 0.8424 0.5385 -0.002 -0.0017 0.0038 -1.085 -0.932 2.016 -0.387 -0.332 0.719 -0.362 -0.311 0.673 32 H 1 0.1436 -0.3212 0.9361 0.895 0.4459 0.0157 -0.4224 0.8355 0.3515 -0.0028 -0.0017 0.0045 -1.494 -0.899 2.394 -0.533 -0.321 0.854 -0.498 -0.3 0.798 33 H 1 -0.3496 0.0143 0.9368 -0.3829 0.9104 -0.1568 0.8551 0.4135 0.3128 -0.0837 -0.083 0.1667 -3.228 -3.201 6.428 -1.152 -1.142 2.294 -1.077 -1.068 2.144 34 N 14 0.7994 -0.4887 -0.3494 0.5856 0.5042 0.6347 0.134 0.712 -0.6893 -0.009 -0.0046 0.0136 -4.809 -2.436 7.245 -1.716 -0.869 2.585 -1.604 -0.812 2.417 35 H 1 0.7468 0.4083 -0.525 -0.079 0.8382 0.5397 0.6604 -0.3615 0.6582 -0.0636 -0.0567 0.1202 -2.452 -2.185 4.637 -0.875 -0.78 1.655 -0.818 -0.729 1.547 36 N 14 (Enter /NFS_R1/Userdata/grufor/SOFTWARE/g16/l716.exe) PT12458.900S 2024-09-23T16:59:50.000 -19.29002 -19.28138 -19.23317 -19.21936 -14.52563 -14.51314 -14.39641 -14.37529 -10.41999 -10.40568 -10.36751 -10.36183 -10.35978 -10.33983 -10.33955 -10.30545 -10.29606 -10.29240 -6.82456 -1.19530 -1.18120 -1.15990 -1.09518 -1.08474 -1.01683 -0.97919 -0.89699 -0.88183 -0.87228 -0.81677 -0.77426 -0.76640 -0.75910 -0.73661 -0.67974 -0.66642 -0.65318 -0.63818 -0.60921 -0.60331 -0.60119 -0.58196 -0.57035 -0.56738 -0.55784 -0.55736 -0.55230 -0.55112 -0.54007 -0.52958 -0.52810 -0.49749 -0.49116 -0.48464 -0.48279 -0.46115 -0.44540 -0.44056 -0.43084 -0.42481 -0.42377 -0.41504 -0.41279 -0.39901 -0.38132 -0.37161 -0.36319 -0.34455 -0.34116 -0.31659 -0.27896 -0.23857 0.07506 0.08220 0.08321 0.13203 0.14415 0.16097 0.16552 0.17129 0.17652 0.18524 0.18784 0.19306 0.20994 0.21429 0.22132 0.22312 0.22430 0.22825 0.23154 0.23841 0.24935 0.25646 0.26924 0.27802 0.28095 0.29123 0.29681 0.30229 0.30516 0.33483 0.34381 0.34895 0.36240 0.38048 0.38306 0.40523 0.40723 0.43249 0.43601 0.45651 0.46239 0.47755 0.50688 0.51176 0.51336 0.51975 0.53762 0.54294 0.54468 0.55133 0.55694 0.56542 0.57238 0.57887 0.58629 0.59716 0.60705 0.60979 0.62018 0.62277 0.65149 0.66337 0.67551 0.67717 0.69598 0.70090 0.70586 0.71641 0.71909 0.72136 0.72786 0.73189 0.73388 0.74195 0.74486 0.74560 0.74801 0.76228 0.76560 0.76727 0.77356 0.77934 0.78971 0.79982 0.80384 0.80559 0.81240 0.82216 0.82552 0.83647 0.84915 0.86234 0.86760 0.88454 0.90479 0.91330 0.92389 0.93724 0.95389 0.96099 0.97541 0.98755 0.99661 1.01415 1.02969 1.04376 1.04701 1.08001 1.10123 1.10825 1.12848 1.14079 1.15106 1.16184 1.16935 1.18870 1.19028 1.22078 1.22373 1.23766 1.24169 1.25548 1.26722 1.30179 1.31628 1.33064 1.34509 1.35120 1.36167 1.37729 1.37916 1.39292 1.40279 1.42456 1.42751 1.43971 1.45557 1.45989 1.47333 1.48210 1.52043 1.52387 1.55652 1.57156 1.57926 1.59156 1.60152 1.61014 1.61791 1.62633 1.64103 1.65843 1.66797 1.68304 1.69089 1.70111 1.73690 1.76323 1.76927 1.78447 1.79658 1.80530 1.81816 1.82153 1.82794 1.83752 1.84180 1.85678 1.87161 1.87278 1.87393 1.88515 1.89158 1.90501 1.91212 1.91806 1.93000 1.94121 1.95763 1.96124 1.96785 1.97546 1.98341 1.99093 2.00083 2.00697 2.01159 2.02136 2.02555 2.02986 2.04513 2.06356 2.07864 2.08242 2.09690 2.10470 2.11535 2.12901 2.15584 2.15974 2.16924 2.19331 2.20797 2.23096 2.23749 2.25230 2.25651 2.27016 2.28315 2.31015 2.32235 2.33166 2.35734 2.38799 2.40693 2.41137 2.42572 2.43126 2.44139 2.45707 2.46500 2.49297 2.49846 2.50077 2.53608 2.54505 2.56289 2.57278 2.59166 2.66745 2.70321 2.72143 2.74563 2.75033 2.75921 2.76226 2.76412 2.76633 2.77981 2.80753 2.80978 2.82036 2.83071 2.86024 2.86679 2.87770 2.89567 2.90403 2.91388 2.91973 2.94745 2.95918 2.98762 2.99115 3.00535 3.00991 3.02157 3.03932 3.07411 3.08025 3.09105 3.09525 3.12805 3.13877 3.16499 3.17724 3.18648 3.22890 3.23412 3.26350 3.31200 3.32706 3.34777 3.40839 3.46439 3.52696 3.54078 3.58189 3.63386 3.69179 3.72108 3.74916 3.79081 3.82457 -19.28929 -19.28108 -19.23191 -19.21803 -14.52545 -14.51305 -14.39522 -14.37447 -10.42000 -10.40608 -10.36685 -10.36180 -10.35977 -10.33984 -10.33957 -10.29893 -10.29609 -10.29243 -6.82247 -1.19346 -1.18015 -1.15938 -1.09266 -1.08247 -1.01637 -0.97678 -0.89427 -0.88113 -0.86112 -0.81594 -0.76933 -0.76332 -0.75859 -0.73617 -0.67773 -0.66352 -0.65210 -0.63660 -0.60731 -0.60153 -0.59904 -0.57368 -0.56837 -0.56533 -0.55732 -0.55545 -0.54958 -0.54586 -0.53854 -0.52805 -0.52585 -0.49321 -0.48768 -0.48146 -0.47656 -0.45691 -0.44286 -0.43550 -0.42912 -0.42377 -0.42269 -0.41190 -0.40071 -0.39064 -0.37459 -0.36631 -0.36070 -0.34090 -0.33828 -0.28902 -0.26933 -0.02468 0.07879 0.08354 0.09421 0.13281 0.14452 0.16512 0.17024 0.17475 0.17900 0.18570 0.18899 0.19481 0.21135 0.21487 0.22190 0.22341 0.22592 0.22900 0.23216 0.23978 0.25032 0.25876 0.27056 0.27966 0.28154 0.29309 0.30009 0.30564 0.30673 0.33811 0.34526 0.35304 0.36480 0.38173 0.38957 0.40607 0.41120 0.43687 0.43822 0.45813 0.46720 0.48357 0.50881 0.51379 0.51727 0.52094 0.53834 0.54376 0.54601 0.55209 0.55840 0.56655 0.57683 0.58110 0.58753 0.60008 0.60952 0.61237 0.62186 0.62292 0.65350 0.66667 0.67683 0.67886 0.69775 0.70167 0.70709 0.71699 0.72119 0.72272 0.72930 0.73306 0.73626 0.74318 0.74547 0.74782 0.75063 0.76458 0.76676 0.76799 0.77432 0.78332 0.79136 0.80055 0.80580 0.80716 0.81342 0.82387 0.82653 0.84006 0.84996 0.86422 0.86901 0.88675 0.90619 0.91580 0.92491 0.94095 0.95712 0.96226 0.97856 0.99119 1.00058 1.01618 1.03352 1.04470 1.04858 1.08158 1.10227 1.11056 1.13012 1.14230 1.15274 1.16461 1.17143 1.19122 1.19298 1.22307 1.22552 1.23936 1.24460 1.25819 1.26801 1.30368 1.31872 1.33268 1.34683 1.35377 1.36464 1.37869 1.38075 1.39524 1.40387 1.42688 1.43204 1.44226 1.45803 1.46615 1.47460 1.48565 1.52340 1.52831 1.55925 1.57460 1.58139 1.59415 1.60304 1.61040 1.62126 1.63084 1.64400 1.66233 1.66926 1.68445 1.69306 1.70315 1.73961 1.76601 1.77256 1.78489 1.79800 1.80717 1.81959 1.82240 1.82861 1.84031 1.84360 1.85958 1.87204 1.87367 1.87468 1.88598 1.89225 1.90924 1.91293 1.92028 1.93340 1.94263 1.95905 1.96349 1.96891 1.97754 1.98548 1.99151 2.00173 2.00726 2.01301 2.02252 2.02630 2.03171 2.04653 2.06525 2.08113 2.08411 2.09908 2.10609 2.11824 2.13078 2.16034 2.16439 2.17049 2.19520 2.21296 2.23326 2.24062 2.25605 2.26144 2.27188 2.28701 2.31622 2.32472 2.33563 2.35970 2.39021 2.40736 2.41198 2.42640 2.43455 2.44526 2.45953 2.46657 2.49420 2.50055 2.50178 2.54057 2.54963 2.56373 2.57775 2.59289 2.67281 2.71072 2.72495 2.74747 2.75245 2.75972 2.76463 2.76678 2.76890 2.78222 2.80962 2.81241 2.82185 2.83202 2.86271 2.86848 2.88045 2.90061 2.90516 2.91524 2.92193 2.94985 2.96042 2.98951 2.99271 3.00785 3.01147 3.02337 3.04126 3.07599 3.08186 3.09195 3.09671 3.12903 3.13985 3.16639 3.17850 3.18857 3.22941 3.23541 3.26546 3.31478 3.32992 3.35101 3.40967 3.46578 3.52845 3.54186 3.58311 3.63464 3.69276 3.72141 3.75059 3.79212 3.82648 2-A. 1.88049743e+00 3.96082307e-01 -8.27887583e-01 2.03143330e+02 1.14021292e+01 1.81161059e+02 8.30841941e-01 9.88503213e+00 1.37373926e+02 -45.1716 -9.0900 -1.0351 -0.0008 -0.0007 0.0008 3.3898 19.8518 39.6015 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -45.1455 19.8024 39.6013 59.7930 67.2176 89.2680 99.2569 102.0363 119.4815 133.0464 136.2390 149.7539 156.3624 186.0800 195.5574 206.4093 225.2342 265.3271 295.8056 325.7724 343.1946 368.8734 390.6597 422.4960 527.0413 585.7559 640.5321 646.2257 665.6739 709.2962 728.4791 739.1685 745.2941 753.4914 769.5141 791.2917 805.2007 828.3268 885.2450 900.1198 905.7208 919.1634 923.8250 941.4538 944.3351 962.8185 1000.4517 1008.3281 1043.9063 1075.0234 1090.8216 1096.0802 1113.1500 1124.7886 1138.0992 1143.7483 1163.4069 1177.3811 1183.2688 1184.5787 1204.9023 1221.0145 1223.1102 1233.2729 1245.1272 1271.9892 1313.5994 1357.5219 1362.4340 1373.4905 1410.0524 1426.0318 1437.3352 1467.5440 1468.0312 1471.1559 1474.6202 1482.6846 1482.9063 1486.1153 1498.7946 1502.9987 1516.4247 1569.3863 1616.2705 1661.5447 1750.7793 1827.4044 2986.7246 3011.4725 3055.9820 3058.2926 3065.4147 3116.9307 3150.2505 3163.9016 3191.8996 3202.7720 3222.7883 3246.8826 3303.3888 3323.0181 3598.0348 3607.0396 3627.1514 3.1740 4.8671 4.3871 4.6297 4.0979 4.1729 4.2405 3.4659 2.9606 2.4420 1.7505 1.7560 2.5404 2.7008 5.3262 3.6378 5.4855 2.1572 4.6221 4.8543 4.6978 4.6505 5.0643 9.7940 1.5119 2.4450 3.4165 2.4651 1.5625 3.0762 3.1020 2.1638 2.7357 1.6113 2.9185 5.0088 1.3808 1.8722 1.3416 2.1925 1.8536 2.8280 2.3668 2.5133 5.9375 1.0875 2.1297 3.3727 2.0138 1.3747 2.6675 1.4617 1.8859 1.9307 2.4590 2.3515 3.7872 1.7130 1.3223 1.3012 1.6705 1.5472 1.2188 1.4982 3.0550 2.8931 1.4746 1.7964 1.5308 2.4783 1.4368 1.9274 1.2615 1.1589 1.0406 1.9941 1.2335 1.0565 1.1011 1.2342 1.6227 1.1309 4.6490 4.4564 1.1917 2.8138 7.7694 11.7040 1.0674 1.0706 1.0325 1.0331 1.0990 1.0983 1.1071 1.1069 1.1075 1.1078 1.0985 1.0906 1.0931 1.1120 1.0755 1.0831 1.0759 0.0038 0.0011 0.0041 0.0098 0.0109 0.0196 0.0246 0.0213 0.0249 0.0255 0.0191 0.0232 0.0366 0.0551 0.1200 0.0913 0.1640 0.0895 0.2383 0.3035 0.3260 0.3728 0.4554 1.0300 0.2474 0.4943 0.8259 0.6065 0.4079 0.9119 0.9699 0.6966 0.8953 0.5390 1.0182 1.8478 0.5275 0.7568 0.6194 1.0466 0.8959 1.4077 1.1901 1.3125 3.1196 0.5940 1.2559 2.0204 1.2930 0.9361 1.8701 1.0346 1.3768 1.4392 1.8766 1.8124 3.0202 1.3991 1.0908 1.0758 1.4289 1.3590 1.0743 1.3426 2.7906 2.7579 1.4991 1.9505 1.6741 2.7546 1.6832 2.3093 1.5355 1.4705 1.3213 2.5428 1.5803 1.3684 1.4265 1.6060 2.1477 1.5051 6.2987 6.4669 1.8342 4.5769 14.0315 23.0279 5.6101 5.7205 5.6810 5.6930 6.0843 6.2868 6.4732 6.5283 6.6480 6.6954 6.7220 6.7741 7.0282 7.2349 8.2036 8.3031 8.3401 5.0780 1.3549 0.7899 3.2685 1.6733 3.7354 0.9372 1.4621 3.2235 2.2100 1.9163 0.8992 0.7212 3.6692 3.9537 6.0730 35.2733 17.6796 47.9113 12.0169 23.4341 10.1431 8.9787 6.0492 165.1233 51.3551 1.4149 74.1030 64.0649 5.7662 22.8319 3.1428 16.8894 18.4420 4.8801 10.0247 126.9408 154.2206 12.1799 14.8775 29.3854 59.5916 10.6540 7.1271 8.3087 52.1961 0.8312 11.9595 110.7640 2.9069 32.5052 15.4629 10.9326 64.2495 54.3598 56.3768 93.0723 27.4835 1.3348 1.1446 96.7858 8.3000 11.2350 120.0850 488.6845 42.2781 78.7106 64.3142 152.3647 232.8534 19.5040 248.9638 22.6698 54.1629 5.5541 9.8495 47.7241 15.4881 2.0765 89.6091 181.6015 9.0038 5.8781 29.8377 347.6319 216.4325 334.3753 205.2153 81.6854 72.1552 45.0677 33.0554 92.1302 28.7867 18.3972 12.5944 16.8936 17.5182 627.7442 5.9210 2.6607 0.8011 12.8647 122.6757 8.4645 -0.02 -0.00 -0.01 0.02 -0.00 0.01 0.04 0.03 0.06 0.00 0.04 0.08 -0.03 0.02 0.03 0.04 -0.01 -0.01 0.07 0.04 0.09 0.00 0.06 0.12 -0.09 0.02 0.02 0.01 0.11 -0.12 -0.12 -0.11 -0.06 -0.10 -0.09 -0.06 -0.06 -0.04 -0.04 -0.03 -0.02 -0.02 -0.01 -0.01 -0.03 -0.07 -0.03 -0.02 -0.01 0.02 -0.02 0.00 0.01 -0.01 -0.02 0.03 -0.00 0.10 0.20 0.06 -0.04 0.03 0.00 -0.02 0.08 0.03 0.04 0.02 -0.03 -0.02 0.39 0.03 0.10 0.13 0.05 0.29 0.23 0.12 -0.06 -0.02 -0.07 0.14 -0.10 0.01 0.13 -0.02 0.09 0.22 -0.23 -0.09 0.23 -0.06 0.11 0.21 -0.06 0.13 0.11 0.07 0.18 0.01 0.00 0.00 -0.06 0.05 0.04 -0.07 -0.07 -0.07 -0.18 0.13 -0.14 0.01 -0.02 0.01 0.02 -0.03 0.03 0.05 -0.04 0.15 0.05 -0.04 0.20 0.03 -0.04 0.11 0.02 -0.02 -0.03 0.07 -0.04 0.18 0.07 -0.05 0.28 0.01 -0.04 0.11 0.00 0.01 -0.07 -0.07 -0.02 -0.03 -0.12 0.01 -0.05 -0.02 0.00 0.05 -0.00 -0.02 -0.08 0.04 -0.03 0.09 -0.07 0.06 0.10 -0.02 -0.02 -0.15 0.07 -0.03 -0.04 -0.03 0.08 0.19 0.13 -0.03 -0.09 -0.08 0.12 0.22 -0.01 0.09 0.22 0.03 0.06 0.20 0.14 -0.03 -0.12 0.18 -0.05 -0.05 0.12 -0.02 -0.12 -0.01 -0.00 -0.07 -0.11 0.08 -0.12 -0.05 0.03 -0.17 -0.15 0.12 -0.06 -0.16 0.09 -0.18 -0.08 0.05 -0.19 -0.04 0.02 -0.24 0.01 -0.00 -0.11 0.06 -0.04 -0.13 -0.04 0.05 -0.07 -0.01 -0.00 -0.05 -0.04 0.00 -0.02 -0.02 0.00 0.00 -0.02 0.03 -0.03 -0.05 0.05 -0.06 -0.06 0.03 -0.05 0.00 -0.01 0.02 -0.00 0.04 -0.02 -0.07 0.07 -0.09 -0.09 0.03 -0.07 -0.02 -0.03 -0.01 -0.03 -0.11 0.02 -0.01 -0.10 0.02 0.02 -0.04 0.01 0.00 -0.07 0.04 -0.05 -0.12 0.01 0.16 0.13 -0.00 0.01 -0.05 0.04 0.02 -0.05 0.05 0.26 0.25 -0.01 0.06 0.01 0.07 0.38 0.40 -0.02 0.15 0.31 -0.12 0.34 0.16 0.10 0.04 0.06 0.04 0.07 0.01 0.08 0.10 0.02 0.10 -0.06 -0.03 -0.02 -0.06 -0.02 -0.02 -0.09 -0.03 -0.03 -0.05 0.00 -0.03 -0.05 -0.03 -0.01 -0.11 -0.02 -0.04 -0.09 -0.05 -0.02 -0.09 -0.02 -0.03 -0.11 -0.04 -0.03 -0.04 -0.02 -0.01 -0.03 -0.04 0.00 -0.02 -0.04 0.04 -0.08 -0.02 -0.08 -0.09 -0.06 -0.10 -0.03 -0.09 -0.00 0.02 -0.08 0.08 -0.10 -0.01 -0.12 -0.14 -0.05 -0.19 -0.01 -0.13 0.02 0.07 -0.09 0.15 -0.03 0.04 0.09 0.00 0.03 0.00 0.02 0.05 0.00 -0.04 -0.02 -0.03 0.02 0.03 -0.02 -0.15 -0.11 -0.04 0.04 0.03 -0.05 -0.04 -0.03 -0.10 0.14 0.12 0.06 -0.04 -0.05 -0.09 0.23 0.14 0.01 0.07 0.04 -0.11 -0.08 -0.15 -0.24 -0.15 -0.09 0.04 0.26 0.14 -0.08 0.31 0.17 0.08 0.19 0.13 0.01 0.02 0.01 0.09 -0.08 0.05 0.06 -0.00 0.03 0.02 -0.14 0.09 0.15 -0.16 0.05 -0.03 -0.02 0.03 0.03 0.02 0.03 -0.06 0.07 0.00 0.09 0.15 0.00 0.07 0.02 0.04 0.08 0.08 -0.07 0.13 0.02 -0.03 0.04 0.01 -0.02 -0.01 -0.01 -0.01 -0.07 -0.00 -0.02 -0.06 0.02 -0.02 0.01 0.00 -0.01 -0.01 -0.02 -0.00 -0.12 -0.01 -0.01 -0.09 0.05 -0.03 0.03 0.05 -0.09 -0.00 0.03 0.01 -0.03 -0.02 -0.03 -0.03 0.07 0.06 -0.01 0.01 0.00 -0.02 0.20 0.20 -0.01 -0.04 -0.05 0.01 0.01 -0.01 -0.01 0.01 0.04 -0.01 0.02 0.02 0.02 0.07 0.17 0.05 -0.14 -0.15 0.04 0.11 0.15 0.24 0.14 0.10 -0.20 -0.03 0.32 0.05 0.04 0.12 0.02 0.21 0.20 0.10 0.02 -0.05 0.04 -0.17 -0.08 0.01 -0.17 -0.10 -0.01 -0.22 -0.02 0.07 -0.23 -0.14 -0.05 -0.26 -0.07 0.01 -0.16 -0.19 -0.08 -0.05 -0.06 0.05 0.00 -0.06 0.04 -0.04 -0.09 0.02 -0.04 -0.09 -0.06 0.05 -0.01 -0.01 0.10 -0.04 0.14 0.10 -0.03 0.13 0.04 0.01 -0.04 0.01 0.02 -0.12 0.11 -0.05 0.18 0.14 -0.04 0.24 0.02 0.04 -0.10 -0.00 0.04 -0.22 -0.01 -0.15 0.07 -0.02 0.09 0.01 -0.03 0.09 0.01 -0.05 0.05 0.00 -0.03 0.06 -0.02 -0.12 -0.02 -0.00 -0.01 0.09 -0.01 -0.03 0.06 -0.04 0.02 0.07 0.01 -0.08 0.00 -0.02 0.05 0.06 -0.02 0.01 0.10 -0.03 -0.12 -0.12 -0.17 -0.20 -0.04 0.13 0.07 0.04 -0.07 0.08 0.08 0.01 0.00 0.05 -0.03 0.04 -0.07 0.02 0.08 -0.06 0.01 -0.13 -0.12 -0.02 0.11 0.06 -0.09 0.14 -0.11 0.08 -0.24 -0.06 -0.09 -0.16 -0.28 0.04 -0.12 -0.07 -0.05 -0.21 -0.12 -0.05 0.15 -0.08 0.05 0.18 -0.14 0.11 -0.07 -0.00 0.06 -0.05 -0.03 0.19 -0.07 -0.03 0.11 -0.10 0.01 -0.06 -0.11 0.02 -0.09 -0.03 -0.05 0.21 -0.06 -0.05 0.19 -0.13 0.02 -0.17 -0.13 0.04 -0.19 -0.04 -0.02 0.06 0.02 -0.01 -0.02 0.01 -0.02 -0.02 0.04 0.01 -0.02 0.01 -0.05 -0.05 0.10 0.10 -0.03 -0.00 -0.06 -0.02 -0.06 -0.13 -0.12 0.10 0.02 0.01 0.05 0.01 -0.05 0.11 -0.09 -0.08 -0.07 -0.17 -0.05 0.11 0.14 0.14 0.15 0.09 -0.27 0.23 -0.23 -0.17 0.20 -0.00 -0.00 -0.07 -0.13 -0.12 -0.06 0.02 0.06 0.08 0.07 0.05 0.05 0.07 0.05 0.13 0.04 -0.02 0.14 0.12 0.11 0.12 0.05 0.01 0.04 0.12 0.13 -0.05 0.02 -0.00 -0.13 -0.01 -0.00 -0.02 0.06 0.07 -0.04 0.10 0.10 0.03 -0.06 0.11 0.08 -0.06 0.16 0.04 0.01 -0.02 -0.03 0.05 -0.17 -0.03 0.01 -0.08 0.11 -0.08 0.19 0.06 0.02 -0.02 -0.08 0.11 -0.32 -0.10 0.02 -0.14 0.06 0.01 0.00 0.02 0.01 -0.04 0.04 0.04 -0.05 0.01 -0.02 -0.01 0.00 -0.01 -0.04 -0.00 -0.09 0.01 0.01 0.05 0.01 0.02 0.01 -0.01 -0.05 -0.02 -0.07 -0.04 -0.02 0.08 -0.04 0.08 -0.00 0.02 0.13 0.10 -0.07 -0.16 -0.06 -0.12 -0.10 0.27 -0.18 0.24 0.11 -0.13 -0.05 -0.08 0.18 0.14 0.02 0.03 -0.03 0.07 -0.11 0.04 0.00 0.09 0.04 -0.03 -0.15 -0.02 0.11 -0.19 0.11 -0.09 0.16 0.01 -0.00 0.13 0.15 -0.12 0.13 -0.03 0.04 0.16 -0.06 0.01 -0.13 0.03 0.03 -0.16 0.08 -0.05 -0.03 0.07 -0.06 -0.10 0.03 0.02 -0.09 -0.08 0.08 -0.01 -0.11 0.03 0.02 -0.01 -0.06 -0.13 0.05 0.05 -0.14 -0.13 0.16 0.02 -0.18 0.05 0.12 -0.00 -0.09 -0.00 0.02 -0.06 0.11 0.04 -0.02 0.09 0.03 -0.02 0.09 0.01 -0.00 0.03 -0.01 -0.03 0.08 -0.04 0.01 0.09 0.05 0.02 0.01 -0.05 -0.00 -0.01 0.00 -0.05 -0.02 -0.09 0.08 -0.02 0.08 0.01 0.16 0.19 0.08 -0.10 -0.34 -0.23 -0.20 -0.22 0.43 -0.09 0.16 0.07 -0.08 0.04 -0.03 0.09 0.10 0.05 -0.02 0.08 -0.05 0.01 -0.04 -0.00 -0.04 0.02 0.06 0.04 -0.07 -0.04 0.05 -0.08 0.05 -0.04 0.00 0.10 -0.06 0.03 0.11 -0.08 0.08 0.00 -0.08 0.14 0.03 -0.02 -0.01 -0.07 -0.05 0.05 -0.12 -0.00 -0.01 0.06 -0.02 0.01 -0.03 -0.03 0.02 -0.06 -0.01 0.00 0.02 0.00 -0.02 0.09 -0.03 0.01 -0.06 -0.04 0.03 -0.14 -0.01 0.01 0.02 0.01 -0.02 0.11 -0.01 -0.11 0.12 0.01 -0.01 -0.03 0.03 0.03 -0.03 0.01 -0.02 -0.01 -0.01 -0.04 -0.04 0.02 -0.02 -0.01 0.00 -0.00 -0.00 0.00 -0.02 -0.04 -0.05 -0.06 -0.07 0.01 -0.00 0.02 -0.03 0.06 0.01 -0.01 0.01 0.03 0.02 -0.00 0.03 0.02 -0.01 0.02 -0.27 0.32 0.23 -0.17 -0.23 -0.13 0.34 0.19 -0.03 -0.00 -0.03 0.07 0.14 0.11 0.02 -0.03 0.01 -0.05 0.22 0.17 -0.14 0.25 0.16 0.14 -0.07 0.07 -0.17 -0.06 -0.09 0.03 -0.08 -0.04 -0.05 -0.13 -0.11 -0.08 0.07 0.05 0.12 0.04 0.11 0.15 0.03 0.05 -0.02 -0.02 0.02 0.04 -0.02 -0.05 0.04 0.03 -0.06 -0.02 0.06 0.00 -0.06 -0.04 0.04 0.06 -0.06 -0.08 0.09 0.04 -0.11 -0.04 0.13 0.01 -0.09 0.02 0.05 0.00 -0.00 -0.00 -0.02 0.02 0.02 -0.02 -0.03 -0.04 -0.01 0.00 -0.00 -0.02 -0.06 -0.10 -0.00 -0.02 -0.01 -0.00 0.02 0.02 0.00 -0.02 -0.02 -0.03 0.02 0.03 0.02 -0.01 0.03 0.00 -0.30 -0.33 0.05 0.23 0.24 0.46 0.18 0.23 -0.42 -0.09 0.12 0.07 -0.06 -0.06 -0.05 0.11 0.07 -0.00 0.03 0.05 -0.00 -0.02 0.00 0.02 -0.03 0.02 0.03 -0.05 0.03 0.05 -0.05 -0.04 -0.01 -0.06 0.02 0.05 -0.03 -0.01 0.01 0.01 0.06 0.03 0.03 0.08 0.04 0.04 0.02 -0.01 0.07 -0.03 -0.01 -0.01 -0.02 0.01 0.00 -0.01 -0.02 0.01 0.03 -0.02 -0.01 0.03 0.01 -0.03 0.00 0.04 0.02 -0.02 -0.03 0.02 0.04 -0.05 -0.02 0.05 0.03 -0.06 -0.00 0.05 -0.00 -0.03 0.01 0.04 -0.01 -0.06 0.05 -0.01 -0.06 0.03 -0.02 -0.04 0.01 0.00 -0.03 0.03 -0.09 -0.02 0.02 0.03 -0.01 -0.00 -0.04 0.02 -0.01 0.09 -0.03 -0.01 -0.01 0.09 -0.07 0.08 0.00 -0.17 -0.10 0.13 0.11 -0.01 0.25 0.02 0.04 -0.03 0.19 -0.20 -0.28 0.05 0.53 0.14 -0.51 -0.12 0.19 -0.01 -0.02 0.01 0.03 0.01 0.00 0.00 -0.01 -0.01 0.05 0.01 -0.03 0.06 0.02 0.03 -0.00 -0.00 -0.03 -0.01 -0.03 0.01 -0.02 -0.03 -0.01 -0.04 -0.04 -0.02 0.01 -0.00 0.02 0.01 -0.00 0.04 -0.05 -0.05 -0.01 -0.01 -0.04 -0.03 0.00 0.01 0.00 -0.04 0.03 0.04 -0.08 -0.02 0.03 0.01 -0.06 -0.04 0.04 0.04 -0.01 -0.05 0.07 0.07 -0.13 -0.02 0.04 -0.05 -0.07 -0.04 0.09 0.11 0.06 0.06 0.09 0.06 0.05 0.07 0.03 0.04 0.04 0.03 -0.05 -0.01 0.03 0.12 0.11 0.01 0.01 0.01 -0.01 0.04 0.02 0.02 -0.03 -0.07 -0.02 0.02 -0.02 0.01 -0.30 -0.44 -0.01 0.20 -0.07 0.29 -0.12 0.16 -0.36 -0.10 0.07 0.18 -0.06 -0.24 -0.08 0.20 0.07 -0.10 -0.04 -0.04 -0.03 0.01 -0.04 -0.03 0.04 -0.02 -0.02 0.05 -0.11 -0.07 0.05 0.01 -0.00 0.11 -0.04 -0.02 0.04 0.04 0.01 -0.02 -0.05 -0.05 -0.03 -0.05 -0.04 -0.09 -0.04 -0.04 -0.14 0.05 -0.06 -0.05 -0.02 -0.09 0.01 -0.02 -0.05 0.04 0.03 0.05 -0.02 0.05 0.06 -0.08 0.02 -0.04 0.05 -0.05 -0.05 0.10 0.04 0.10 -0.02 0.09 0.12 -0.15 0.02 -0.01 -0.07 0.04 0.02 0.02 -0.01 -0.03 0.02 -0.02 -0.03 0.01 -0.03 -0.02 0.02 0.01 -0.01 0.03 -0.03 -0.01 -0.03 -0.05 -0.00 -0.05 -0.10 -0.04 0.07 0.18 0.04 0.03 0.02 0.04 -0.11 -0.00 0.03 0.06 0.11 0.05 -0.01 0.05 0.01 0.10 -0.04 0.10 -0.27 0.04 0.43 -0.33 -0.34 -0.17 0.13 0.14 -0.17 -0.01 -0.00 -0.01 -0.04 -0.01 0.01 0.02 -0.01 0.01 -0.12 0.04 0.14 -0.13 -0.06 -0.09 0.01 -0.02 0.03 0.03 -0.01 -0.04 0.06 -0.01 0.03 0.05 -0.00 0.03 0.10 -0.01 0.01 0.21 -0.19 0.12 -0.04 -0.06 0.02 -0.04 -0.05 0.02 -0.05 -0.06 0.00 -0.04 -0.06 -0.00 -0.03 -0.06 0.01 -0.06 -0.05 0.03 -0.06 -0.06 -0.01 -0.04 -0.07 -0.01 -0.01 -0.06 0.00 -0.08 -0.11 0.01 0.14 0.17 0.00 0.11 0.14 -0.00 -0.03 -0.06 -0.00 0.12 0.16 -0.00 -0.03 -0.07 0.00 -0.15 -0.19 0.02 0.17 0.20 0.06 0.07 0.10 -0.05 0.10 0.11 0.03 -0.00 -0.01 -0.08 0.25 0.32 0.03 -0.08 0.31 -0.06 0.36 -0.04 0.14 0.02 -0.08 -0.00 -0.04 -0.04 -0.11 -0.04 0.01 -0.14 -0.03 -0.03 0.02 0.04 -0.01 -0.01 0.00 -0.01 0.00 0.11 -0.08 -0.11 0.12 0.04 0.08 0.06 -0.02 -0.03 -0.01 0.03 0.07 -0.08 -0.05 -0.03 -0.06 -0.05 -0.03 -0.12 -0.02 -0.00 -0.20 0.12 -0.06 0.11 0.05 0.13 0.04 0.04 0.07 -0.01 0.01 -0.10 0.06 -0.02 -0.09 0.14 -0.00 0.08 0.02 0.07 0.05 -0.08 0.00 -0.20 0.06 -0.06 -0.18 0.21 0.01 0.04 0.16 0.03 -0.11 -0.06 -0.07 -0.03 -0.06 -0.12 -0.02 -0.01 -0.01 -0.04 0.00 0.01 0.04 -0.01 -0.03 -0.03 -0.01 0.03 -0.02 -0.06 -0.06 -0.02 0.10 0.17 0.09 -0.03 0.00 0.04 -0.05 -0.10 0.01 -0.07 0.02 0.06 0.01 -0.03 0.06 -0.03 -0.00 0.05 -0.08 -0.19 0.27 -0.17 -0.30 -0.10 -0.03 -0.01 -0.21 0.01 0.01 -0.02 0.05 -0.03 -0.03 -0.06 -0.01 0.01 0.16 -0.09 -0.20 0.19 0.00 0.12 -0.10 0.00 0.00 -0.08 -0.08 0.06 -0.06 0.03 -0.02 -0.09 0.03 -0.01 -0.13 -0.02 -0.06 -0.25 0.19 -0.19 -0.06 -0.04 -0.03 -0.05 -0.04 -0.00 -0.05 -0.05 0.03 -0.05 -0.04 0.01 -0.06 -0.04 -0.03 -0.06 -0.03 0.03 -0.04 -0.05 0.06 -0.05 -0.04 0.03 -0.08 -0.04 -0.03 -0.02 0.13 0.00 -0.12 -0.18 -0.12 0.01 -0.23 -0.09 0.01 0.00 -0.17 0.01 0.05 0.06 0.11 0.02 -0.14 0.01 0.15 -0.11 0.13 0.20 0.17 0.04 0.02 0.06 -0.09 -0.01 0.13 0.09 -0.11 -0.05 -0.27 0.03 0.20 0.07 -0.20 0.20 -0.16 -0.02 0.18 0.05 -0.10 0.06 0.09 -0.33 -0.08 0.18 -0.01 -0.25 -0.04 -0.01 0.02 -0.00 0.03 0.03 -0.02 -0.00 0.00 -0.03 0.08 0.06 -0.03 0.02 0.01 -0.05 0.02 -0.02 -0.02 -0.05 -0.02 0.02 -0.01 0.03 -0.01 -0.03 0.02 0.06 0.02 0.06 0.12 -0.08 0.15 -0.04 -0.02 -0.00 -0.02 -0.02 0.02 -0.02 0.00 0.02 -0.05 0.02 0.00 -0.06 -0.00 -0.01 -0.01 -0.03 0.01 -0.00 0.01 0.03 -0.05 0.03 0.00 -0.10 -0.01 0.03 -0.00 0.20 -0.05 -0.01 -0.00 0.00 0.01 0.03 0.00 0.00 0.00 0.02 0.02 0.01 -0.00 0.01 -0.01 0.03 0.01 -0.01 0.02 0.01 0.01 -0.01 0.00 -0.01 -0.01 0.01 -0.01 -0.03 -0.01 -0.00 -0.01 0.03 -0.02 -0.04 -0.01 0.00 -0.04 -0.01 0.00 -0.03 0.00 -0.01 -0.02 -0.01 0.02 -0.00 -0.03 -0.01 0.01 0.02 0.04 -0.01 0.09 0.01 -0.03 -0.12 -0.08 -0.05 0.22 0.04 -0.26 0.26 0.02 0.15 -0.48 0.07 -0.08 -0.14 -0.47 -0.17 0.19 0.06 0.09 0.28 0.07 0.08 -0.03 0.00 -0.03 -0.10 0.13 -0.06 -0.01 -0.03 0.00 0.00 -0.03 0.00 -0.00 -0.04 -0.01 -0.00 -0.04 -0.01 -0.00 -0.04 -0.01 0.00 -0.02 -0.01 -0.01 -0.04 -0.00 -0.00 -0.04 -0.02 0.01 -0.03 -0.04 0.02 0.13 -0.04 -0.18 -0.17 -0.06 -0.26 -0.06 -0.09 -0.02 -0.02 0.14 0.08 0.01 -0.08 0.08 -0.02 0.17 0.07 0.05 0.12 0.14 0.11 -0.07 0.09 0.09 -0.08 -0.03 -0.03 -0.19 -0.13 0.03 0.00 0.12 -0.23 -0.30 -0.10 -0.01 -0.27 -0.21 0.10 -0.30 -0.09 -0.09 0.12 -0.25 0.13 -0.09 -0.21 -0.02 0.06 -0.05 -0.01 -0.01 -0.02 0.02 0.03 -0.00 0.02 0.03 -0.05 0.03 0.07 -0.05 0.01 -0.00 0.05 0.01 0.03 -0.00 0.08 0.06 -0.06 0.00 -0.00 -0.13 -0.01 0.00 0.01 0.02 0.03 0.04 -0.03 0.08 -0.02 0.07 0.15 -0.11 0.07 0.17 -0.17 0.06 -0.02 -0.11 0.04 -0.04 -0.02 0.05 0.16 -0.15 0.10 0.15 -0.24 0.06 -0.13 -0.12 0.01 -0.16 -0.04 0.07 0.08 0.05 0.01 -0.08 0.01 0.01 -0.03 -0.02 -0.01 -0.03 0.02 -0.01 0.03 -0.05 0.04 -0.00 0.06 -0.07 0.06 0.01 -0.02 0.04 -0.03 0.03 0.07 -0.06 0.05 -0.00 0.01 -0.01 -0.06 0.04 0.02 -0.10 0.07 -0.05 -0.09 -0.03 0.03 -0.08 -0.01 0.02 -0.09 0.02 0.06 -0.12 0.11 -0.11 -0.06 0.11 0.08 -0.20 0.05 -0.00 -0.08 0.01 -0.11 -0.08 0.09 -0.07 -0.07 -0.11 -0.05 0.09 -0.13 -0.18 -0.23 0.11 -0.10 -0.00 0.10 -0.01 -0.09 0.08 -0.01 -0.10 -0.03 -0.04 -0.09 0.19 -0.09 -0.08 0.31 -0.29 0.03 -0.02 0.03 0.06 -0.06 0.03 0.08 -0.09 0.01 0.00 -0.06 -0.00 -0.02 -0.02 0.02 0.05 -0.08 0.04 0.04 -0.13 0.00 -0.03 -0.06 -0.03 -0.07 -0.01 0.02 0.02 -0.00 0.01 -0.02 -0.01 -0.01 0.05 -0.02 0.02 0.04 -0.05 0.03 -0.03 0.14 -0.04 -0.03 -0.14 0.14 -0.09 -0.02 0.02 -0.06 0.14 0.01 -0.15 0.16 -0.11 -0.03 -0.02 0.02 0.09 -0.10 -0.02 0.22 -0.11 0.10 0.15 0.04 -0.03 0.13 0.02 -0.03 0.14 -0.08 -0.09 0.30 -0.28 0.24 0.10 -0.19 -0.14 0.48 0.02 -0.00 -0.03 0.00 -0.05 -0.04 0.04 -0.03 -0.04 -0.04 -0.02 0.03 -0.05 -0.06 -0.09 0.04 -0.04 -0.01 0.04 -0.02 -0.05 0.04 -0.01 -0.04 0.01 -0.02 -0.04 0.08 -0.04 -0.03 0.11 -0.10 0.00 -0.02 -0.18 0.07 0.11 -0.18 0.06 0.09 -0.02 -0.10 -0.03 0.02 -0.05 -0.06 -0.13 0.13 0.16 -0.22 -0.01 0.17 0.06 -0.21 -0.09 0.16 -0.12 -0.19 -0.11 0.05 -0.02 0.24 -0.14 0.02 0.02 0.02 0.03 0.05 0.02 0.00 0.01 0.00 0.01 0.01 0.00 -0.04 0.03 -0.02 0.01 -0.02 -0.01 -0.00 -0.01 0.01 -0.02 -0.03 -0.01 0.02 -0.01 0.03 0.01 0.01 -0.01 0.00 0.02 0.05 0.03 -0.02 0.04 0.05 -0.03 0.05 -0.01 0.04 -0.03 0.02 -0.00 0.00 0.04 0.01 0.01 -0.03 0.13 -0.13 -0.00 -0.01 0.01 -0.08 0.07 0.11 -0.04 0.03 0.07 -0.04 -0.16 -0.02 -0.12 0.06 0.18 -0.09 0.04 0.16 -0.09 0.20 -0.01 -0.26 0.27 0.05 0.12 0.08 -0.13 0.25 -0.15 0.02 0.00 0.02 -0.00 -0.01 0.02 0.00 -0.01 -0.00 0.01 0.01 -0.01 -0.00 0.01 0.01 -0.01 -0.02 0.03 -0.00 -0.02 -0.01 0.02 0.01 -0.02 -0.00 0.03 0.01 -0.01 0.01 0.05 -0.01 -0.12 -0.09 0.03 -0.23 -0.01 0.00 -0.01 -0.04 0.10 -0.04 0.02 -0.04 -0.18 0.17 -0.02 0.20 -0.12 -0.01 -0.01 0.07 -0.03 -0.06 0.10 -0.05 0.23 -0.18 0.17 -0.02 0.05 -0.15 0.09 -0.08 0.25 0.32 -0.27 0.23 0.26 -0.25 0.25 -0.00 0.04 -0.16 0.04 -0.03 -0.11 -0.02 0.09 -0.25 -0.02 -0.02 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.02 0.00 0.01 -0.01 -0.02 0.01 -0.01 -0.02 0.01 -0.02 0.01 0.03 -0.03 0.00 -0.01 -0.00 0.02 -0.01 -0.01 0.04 -0.00 -0.02 0.00 0.01 -0.01 0.01 0.01 -0.01 0.00 -0.01 -0.00 -0.01 -0.01 -0.01 -0.00 -0.04 0.03 -0.07 0.01 -0.00 -0.01 -0.01 0.01 -0.01 -0.02 -0.01 -0.01 -0.00 0.07 -0.01 -0.04 0.06 0.01 0.10 -0.10 0.07 0.08 -0.04 -0.07 -0.18 0.17 0.10 0.21 -0.18 0.01 0.09 -0.09 -0.07 -0.21 0.38 -0.38 -0.05 -0.08 0.17 0.13 -0.10 0.02 -0.04 -0.05 0.22 0.06 -0.03 0.06 0.17 -0.12 0.05 0.18 -0.14 0.05 -0.01 -0.08 0.17 -0.03 0.06 0.24 -0.12 -0.11 0.31 -0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.02 0.01 0.03 -0.02 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.01 0.00 -0.01 0.01 -0.01 -0.05 -0.01 -0.00 0.01 -0.00 0.01 -0.00 0.02 -0.01 -0.01 0.00 -0.01 0.01 -0.00 0.03 0.00 0.01 0.00 -0.00 0.01 -0.02 0.00 0.00 0.01 -0.00 0.00 0.02 -0.00 0.01 -0.01 -0.01 0.02 -0.05 0.08 -0.03 0.14 -0.06 -0.21 -0.02 0.01 0.01 -0.00 -0.08 -0.07 -0.01 -0.00 -0.01 0.00 -0.01 -0.01 -0.01 0.01 0.00 0.00 0.00 0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.01 0.02 -0.01 -0.00 0.00 0.00 0.00 0.01 -0.04 -0.03 -0.06 0.02 0.02 -0.04 -0.03 0.05 0.00 0.07 0.06 -0.14 0.09 -0.04 0.04 0.12 0.00 -0.01 -0.03 0.20 0.02 -0.07 -0.09 0.09 0.80 0.30 0.12 0.03 0.01 -0.05 0.09 -0.08 0.07 0.00 -0.04 0.02 -0.02 -0.04 -0.03 -0.01 0.01 0.01 -0.04 0.02 0.03 -0.06 -0.00 -0.02 -0.03 -0.05 -0.01 0.04 0.03 0.02 -0.04 0.04 0.07 -0.08 -0.02 0.05 0.15 -0.01 0.09 -0.02 -0.03 0.00 -0.03 -0.04 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.01 -0.02 -0.01 -0.03 0.20 0.04 0.10 -0.02 -0.03 -0.10 -0.04 0.10 -0.02 0.00 0.03 -0.19 0.05 -0.07 -0.02 0.12 0.00 0.12 -0.01 0.33 -0.05 -0.05 0.06 0.01 0.14 0.06 -0.03 0.08 -0.14 0.06 -0.28 0.46 -0.56 0.00 -0.00 0.01 0.04 -0.04 0.18 -0.06 0.05 -0.24 0.06 -0.05 0.25 -0.05 0.04 -0.19 0.03 -0.02 0.11 -0.15 0.12 -0.60 0.14 -0.12 0.58 -0.00 0.00 -0.00 -0.00 -0.04 0.01 0.00 0.00 -0.00 -0.02 -0.02 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.02 0.01 -0.00 -0.00 -0.00 0.03 0.02 0.00 -0.00 0.01 -0.01 0.02 -0.02 0.01 0.03 -0.04 0.03 -0.04 -0.02 -0.04 -0.02 0.01 0.03 -0.04 0.03 0.01 -0.03 0.02 -0.01 -0.08 -0.01 -0.02 0.03 0.03 0.06 -0.04 0.03 0.02 -0.08 0.01 0.04 0.15 -0.58 0.08 0.02 0.01 -0.03 -0.33 -0.30 -0.07 -0.00 -0.02 0.01 -0.05 -0.05 -0.04 -0.01 0.01 -0.00 0.00 0.01 0.01 0.01 0.03 0.01 0.01 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.01 -0.01 -0.01 0.00 -0.01 -0.01 0.01 -0.01 0.01 -0.03 0.04 -0.01 -0.01 -0.00 -0.01 -0.01 0.01 0.21 0.01 0.01 0.02 0.01 0.10 0.02 -0.08 0.05 -0.06 -0.08 0.27 -0.11 -0.05 -0.04 -0.10 0.01 -0.11 -0.02 -0.28 0.13 -0.03 -0.03 -0.04 0.09 0.09 -0.00 -0.03 0.15 -0.11 -0.00 0.11 -0.19 -0.02 0.01 -0.04 0.01 0.00 0.03 0.00 0.00 -0.01 0.00 0.00 -0.01 0.01 -0.01 0.02 0.02 -0.01 0.03 -0.01 0.00 -0.04 -0.01 0.01 -0.03 0.04 -0.02 0.06 -0.03 0.22 -0.05 -0.01 -0.02 0.04 0.15 0.09 0.06 -0.01 -0.01 -0.01 0.05 0.03 0.05 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.02 -0.01 0.00 -0.01 -0.01 0.00 0.00 -0.01 0.00 -0.02 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.02 -0.05 0.01 0.00 -0.01 -0.02 0.01 -0.04 -0.05 0.02 -0.08 0.01 0.03 0.09 0.04 -0.07 -0.01 -0.15 0.02 0.36 -0.21 0.03 -0.14 -0.07 0.02 -0.16 -0.00 -0.22 0.06 -0.04 -0.04 -0.05 0.28 0.22 0.02 0.05 -0.00 0.06 -0.25 0.50 -0.33 0.03 -0.01 0.08 -0.02 0.01 -0.04 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.04 -0.01 0.01 -0.05 0.03 -0.02 0.11 0.03 -0.03 0.11 -0.02 0.01 -0.03 0.27 0.34 -0.42 -0.05 0.04 -0.17 -0.46 -0.29 -0.22 0.13 0.21 0.01 0.04 0.14 -0.00 -0.07 -0.04 0.02 -0.02 -0.06 0.01 -0.07 -0.04 0.08 0.05 -0.07 -0.04 0.04 -0.03 0.00 0.03 -0.04 0.05 0.05 0.00 0.01 0.01 0.02 0.01 0.10 -0.06 0.01 -0.01 -0.00 0.09 -0.06 0.05 -0.01 0.05 -0.08 0.17 -0.01 -0.03 -0.04 0.00 0.03 0.02 -0.00 0.00 -0.00 -0.03 0.06 0.06 -0.03 0.02 -0.02 0.01 0.01 -0.06 -0.01 0.01 0.02 -0.03 -0.04 0.02 0.02 -0.01 0.02 0.02 -0.01 0.03 -0.03 0.09 0.00 0.07 -0.04 0.21 -0.03 0.02 -0.09 -0.02 0.00 -0.01 -0.02 0.00 -0.01 -0.03 0.03 -0.08 -0.03 0.02 -0.10 0.08 -0.07 0.37 0.09 -0.10 0.40 -0.07 0.04 -0.12 0.26 0.25 -0.20 0.01 -0.11 0.12 0.34 0.01 0.18 0.04 0.00 -0.01 0.12 0.05 0.12 -0.01 -0.01 -0.03 -0.02 0.00 0.02 0.03 -0.02 -0.10 -0.09 0.01 0.02 -0.04 0.03 0.00 -0.03 0.04 -0.07 -0.00 0.01 -0.02 -0.06 0.05 -0.02 -0.05 0.04 -0.02 -0.01 0.06 -0.16 0.09 -0.03 0.02 -0.02 0.08 -0.15 0.03 -0.05 -0.02 0.00 0.01 -0.01 -0.01 0.00 0.01 0.01 0.03 -0.02 0.02 -0.05 0.01 0.05 -0.01 -0.02 -0.01 0.05 0.03 -0.03 -0.06 0.04 0.02 -0.04 0.03 0.01 0.06 -0.06 0.12 -0.11 0.10 0.01 -0.01 0.06 -0.00 0.00 -0.02 -0.00 0.00 -0.02 -0.01 0.00 -0.02 -0.01 -0.00 -0.02 -0.00 0.01 0.01 0.06 -0.04 0.20 0.05 -0.04 0.23 -0.01 -0.00 -0.02 0.04 0.11 0.08 0.00 -0.03 -0.07 0.56 0.63 -0.04 0.09 0.10 0.00 -0.14 -0.15 -0.10 -0.05 -0.00 -0.01 -0.01 -0.03 0.06 0.03 0.06 0.03 0.03 0.04 0.03 0.01 -0.01 0.00 0.02 -0.02 0.05 0.07 -0.04 -0.03 -0.03 0.03 -0.02 0.01 0.00 -0.02 0.03 -0.06 0.09 -0.01 -0.03 0.02 -0.01 -0.02 0.02 -0.02 0.01 -0.01 0.01 -0.01 0.01 0.01 -0.02 -0.01 -0.02 -0.02 0.05 -0.03 0.00 -0.03 -0.01 -0.01 -0.01 -0.00 -0.04 0.03 -0.02 0.01 -0.03 0.16 0.13 0.00 -0.00 -0.00 0.00 -0.02 0.03 -0.04 -0.02 0.02 -0.09 0.01 -0.00 0.02 0.01 -0.01 0.05 0.01 -0.01 0.06 0.00 -0.00 0.02 0.00 0.00 0.02 -0.12 0.09 -0.46 -0.14 0.10 -0.53 0.01 -0.02 0.09 0.10 -0.01 -0.10 0.11 -0.11 -0.04 0.02 -0.35 -0.03 0.17 0.07 -0.01 0.01 -0.05 0.05 -0.09 0.00 -0.09 -0.03 -0.02 0.14 0.03 0.04 -0.08 -0.07 0.03 0.05 -0.04 0.03 0.01 -0.01 0.01 -0.01 0.14 -0.09 -0.09 -0.15 0.12 -0.07 -0.08 0.09 -0.07 0.01 0.01 -0.08 0.09 -0.07 0.06 -0.02 0.04 -0.11 0.00 -0.02 -0.01 -0.01 0.02 0.00 -0.01 0.01 0.00 0.00 0.03 -0.02 0.01 0.01 0.02 0.00 0.01 0.00 0.00 0.02 -0.01 0.01 -0.01 0.02 -0.12 -0.08 0.01 0.00 -0.01 0.01 -0.02 0.03 -0.00 -0.02 0.01 -0.01 0.02 0.00 0.03 -0.00 0.01 -0.08 -0.01 0.01 -0.08 0.01 -0.02 0.04 0.03 -0.00 0.01 0.12 -0.11 0.47 0.15 -0.10 0.56 0.02 0.00 -0.08 -0.11 -0.20 0.03 0.08 0.00 -0.03 -0.29 -0.41 -0.06 0.02 -0.04 -0.00 -0.01 -0.02 0.01 -0.02 0.02 -0.04 0.00 0.01 0.06 0.01 0.02 -0.02 -0.02 0.01 0.02 -0.01 0.01 0.00 -0.00 -0.00 0.00 0.06 -0.05 -0.04 -0.06 0.04 -0.03 -0.05 0.05 -0.03 0.01 -0.00 -0.02 0.03 -0.02 0.02 -0.00 0.01 -0.03 -0.06 0.03 -0.00 -0.00 -0.01 0.00 0.01 0.00 -0.01 -0.01 -0.01 0.02 -0.02 0.04 -0.02 -0.04 0.01 0.02 0.01 -0.04 -0.02 0.03 0.05 -0.03 0.04 0.09 -0.01 0.00 -0.05 0.05 -0.04 0.02 0.03 0.01 -0.03 0.22 -0.00 0.04 -0.11 0.05 -0.02 0.07 0.04 -0.03 0.06 -0.03 -0.01 -0.12 0.02 0.02 -0.15 -0.06 0.04 -0.30 -0.08 0.10 -0.35 0.10 -0.05 0.06 -0.06 -0.13 0.04 0.03 0.02 -0.00 -0.17 -0.18 -0.02 -0.02 -0.04 0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.01 0.01 0.01 0.01 0.00 0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.01 -0.02 0.01 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.01 0.00 0.00 -0.00 -0.11 0.08 0.02 0.02 -0.05 0.01 0.03 -0.04 -0.04 -0.02 -0.07 0.07 -0.05 0.09 -0.07 -0.07 -0.02 0.05 0.01 -0.12 0.02 -0.00 0.11 -0.12 0.42 0.41 -0.05 -0.02 -0.07 0.08 0.04 -0.17 0.22 -0.03 0.01 -0.05 0.02 -0.00 0.03 0.00 -0.00 -0.01 -0.01 0.00 -0.02 -0.00 -0.01 0.02 0.01 0.00 -0.02 0.01 -0.02 0.04 0.01 -0.01 0.08 0.04 -0.04 0.14 0.05 -0.27 0.08 -0.08 -0.03 0.21 -0.38 -0.29 0.18 0.13 0.32 0.01 -0.01 -0.17 0.02 0.01 -0.12 0.12 -0.06 -0.06 -0.22 0.11 0.00 -0.04 -0.02 0.05 0.02 -0.02 0.01 -0.02 -0.04 0.05 -0.07 -0.24 0.25 0.12 0.08 -0.02 0.10 0.17 -0.13 0.10 -0.01 0.03 -0.11 0.03 -0.03 -0.02 -0.05 0.09 -0.17 -0.01 0.01 0.01 -0.00 -0.01 0.00 0.01 -0.00 -0.01 0.00 -0.03 -0.00 0.00 0.05 0.01 -0.04 -0.00 0.05 0.00 -0.03 -0.00 0.02 0.06 -0.04 0.07 0.13 -0.02 -0.02 -0.03 0.04 -0.00 -0.07 0.08 -0.01 0.01 -0.06 0.00 -0.02 0.03 0.01 0.00 0.02 -0.02 0.02 -0.06 -0.01 0.00 -0.03 -0.01 -0.01 -0.02 0.02 0.01 0.02 0.03 -0.02 0.16 0.23 -0.18 0.86 0.04 0.10 0.05 -0.02 -0.03 -0.02 0.11 0.07 0.00 0.01 0.00 -0.00 0.03 0.06 0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.02 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.02 -0.02 -0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.01 0.00 0.01 -0.00 0.02 0.06 0.04 0.06 0.00 -0.03 0.00 0.02 -0.03 -0.02 0.03 -0.06 -0.02 0.02 0.04 0.02 0.03 -0.04 0.01 0.01 -0.01 0.03 -0.02 0.02 -0.05 0.05 0.01 -0.06 -0.04 0.01 0.00 0.08 -0.20 0.13 0.01 -0.01 0.09 0.01 0.02 -0.01 0.02 -0.02 0.04 -0.01 -0.01 -0.03 -0.02 0.02 -0.07 -0.00 0.05 -0.12 -0.04 -0.01 -0.08 0.02 -0.03 0.08 0.17 -0.12 0.62 -0.02 -0.02 -0.18 0.05 0.06 0.02 -0.16 -0.09 -0.01 -0.04 -0.03 0.00 -0.05 -0.09 -0.03 0.01 0.01 0.01 0.01 0.01 -0.02 0.02 0.02 0.01 0.01 0.02 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.02 0.01 0.01 0.02 -0.01 0.01 0.00 -0.00 0.01 0.00 -0.01 0.00 0.00 -0.02 0.00 -0.01 0.00 -0.02 -0.09 -0.06 -0.08 0.01 0.04 -0.02 -0.01 0.04 0.02 -0.06 0.08 0.08 -0.05 -0.07 -0.08 -0.05 0.08 -0.04 -0.01 -0.01 -0.01 0.04 -0.03 0.07 -0.40 -0.24 0.05 0.07 -0.01 -0.03 -0.11 0.29 -0.19 -0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.02 -0.12 0.03 -0.02 0.11 -0.01 0.00 -0.02 0.06 -0.04 0.19 0.17 -0.14 0.68 -0.14 0.12 -0.56 0.07 -0.05 0.23 0.02 0.02 -0.03 0.00 0.00 -0.00 -0.02 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 -0.01 0.00 0.01 -0.00 -0.01 -0.01 0.03 -0.02 0.00 -0.03 -0.02 0.02 -0.02 -0.00 -0.02 0.01 -0.00 0.00 0.01 -0.03 -0.03 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.01 0.00 0.00 0.01 -0.00 -0.00 -0.02 0.01 0.00 -0.00 -0.04 -0.01 0.01 -0.02 -0.00 0.03 0.03 0.01 -0.00 -0.09 0.09 0.66 -0.38 0.07 0.06 -0.07 -0.25 -0.03 -0.13 -0.05 -0.05 0.04 -0.00 -0.08 -0.06 0.00 0.02 0.05 0.01 0.01 -0.06 0.08 -0.01 -0.04 -0.11 0.05 0.07 -0.01 0.01 -0.01 0.02 -0.03 0.07 -0.10 0.08 0.04 0.05 -0.03 0.03 0.02 -0.03 0.03 0.05 -0.03 -0.04 0.16 -0.15 0.18 0.01 0.03 -0.09 0.06 0.10 0.03 -0.02 -0.01 0.05 0.01 -0.04 -0.04 0.05 0.00 -0.07 0.07 0.05 0.14 0.13 -0.07 -0.10 0.02 0.08 -0.04 -0.04 -0.05 -0.01 0.11 -0.08 -0.04 -0.01 0.01 0.02 0.05 -0.12 -0.00 0.03 -0.01 0.01 -0.01 -0.02 -0.00 -0.02 0.00 -0.00 -0.00 0.00 0.01 0.01 0.03 -0.01 -0.04 0.01 -0.02 0.03 0.01 0.06 -0.00 -0.04 -0.06 -0.03 0.00 0.11 0.02 -0.04 -0.05 0.01 0.01 0.03 0.00 -0.04 0.03 -0.00 -0.01 -0.01 -0.02 -0.01 0.01 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.02 0.01 0.01 0.03 -0.00 -0.02 -0.00 0.00 0.00 -0.00 0.01 -0.02 0.02 -0.02 -0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.02 0.01 0.01 -0.04 0.04 -0.05 -0.01 -0.01 0.02 0.00 -0.01 -0.12 -0.11 0.01 0.08 -0.05 -0.11 0.02 0.11 0.19 -0.36 0.23 -0.01 0.46 0.28 -0.31 0.25 0.05 0.36 -0.15 0.06 -0.00 -0.08 -0.05 0.15 0.02 0.02 0.06 0.07 -0.02 0.11 -0.07 -0.11 0.02 0.06 0.02 0.08 0.01 0.05 0.01 -0.01 0.05 0.00 -0.01 -0.03 -0.12 -0.02 0.09 0.04 -0.06 -0.10 -0.07 0.02 -0.02 0.23 0.04 0.21 -0.11 -0.12 -0.28 0.22 0.24 -0.02 -0.01 0.07 -0.10 -0.17 0.07 0.05 0.03 -0.03 -0.03 -0.01 0.00 0.00 -0.02 -0.04 -0.01 -0.00 0.03 -0.03 0.02 0.02 0.06 -0.02 -0.02 0.00 -0.00 0.01 -0.01 0.02 -0.04 0.06 -0.04 -0.02 -0.04 0.03 -0.02 -0.02 0.02 -0.02 -0.02 0.01 0.03 -0.09 0.07 -0.10 -0.01 -0.00 0.03 -0.05 0.19 0.12 -0.01 -0.08 0.04 -0.01 -0.02 -0.06 0.04 -0.06 -0.06 0.08 -0.28 0.14 0.16 -0.07 -0.14 0.02 0.12 -0.13 0.00 -0.10 0.02 0.03 -0.36 -0.11 0.05 0.08 -0.08 0.02 0.10 -0.27 0.04 -0.02 -0.03 -0.04 -0.06 0.01 -0.03 0.04 0.01 0.02 0.03 -0.00 0.02 0.02 0.00 -0.10 -0.02 -0.01 0.06 0.09 -0.00 0.05 -0.06 -0.02 -0.08 0.02 -0.02 0.17 0.54 -0.41 0.03 0.02 0.15 -0.09 -0.24 0.17 0.01 -0.05 -0.03 -0.12 -0.08 -0.01 0.02 -0.01 -0.06 0.01 0.00 0.03 -0.05 0.05 0.04 0.12 -0.02 -0.05 -0.02 0.01 0.01 -0.02 0.04 -0.08 0.05 -0.05 -0.03 -0.06 0.03 -0.03 -0.05 0.05 -0.03 -0.05 0.02 0.05 -0.17 0.14 -0.19 -0.03 -0.01 0.06 0.06 0.01 -0.01 0.02 0.03 -0.00 0.03 0.01 -0.02 -0.01 -0.03 0.07 -0.04 0.18 -0.08 -0.04 0.06 -0.10 -0.01 -0.09 0.06 -0.05 0.00 0.01 0.07 0.03 0.01 -0.04 -0.05 0.03 0.05 -0.21 0.18 0.03 -0.01 -0.01 -0.01 -0.02 -0.00 -0.01 0.00 0.00 -0.01 -0.00 0.00 0.01 0.04 0.00 -0.03 -0.01 -0.00 0.03 0.02 0.00 0.02 -0.08 -0.03 -0.08 0.03 0.05 0.06 -0.09 -0.07 -0.00 -0.00 -0.00 0.06 0.04 0.01 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.03 -0.04 -0.00 -0.08 0.23 -0.06 0.22 -0.07 0.06 -0.16 0.15 0.11 -0.39 0.38 -0.10 0.36 -0.45 -0.06 0.10 -0.14 0.05 -0.00 -0.07 0.14 -0.16 -0.17 -0.01 -0.06 -0.02 0.02 -0.12 0.01 -0.03 -0.11 0.01 -0.22 -0.11 0.03 -0.15 0.32 0.10 0.35 0.14 -0.05 0.10 -0.19 -0.08 -0.15 -0.23 -0.03 -0.19 0.32 0.12 0.40 0.04 -0.10 -0.12 -0.23 0.03 -0.10 -0.20 0.11 -0.00 -0.02 -0.04 0.05 0.06 -0.04 -0.00 0.02 0.01 0.03 0.02 0.01 -0.01 0.00 0.02 -0.00 -0.00 -0.01 0.02 -0.01 -0.02 -0.04 0.01 0.01 0.00 -0.00 -0.00 0.01 -0.01 0.03 -0.03 0.02 0.01 0.02 -0.01 0.01 0.02 -0.02 0.01 0.01 -0.00 -0.02 0.05 -0.04 0.06 0.00 0.00 -0.03 -0.04 -0.02 -0.04 -0.00 0.01 -0.01 -0.01 0.01 0.02 -0.01 0.03 0.00 -0.01 -0.01 -0.02 -0.03 0.01 0.03 -0.00 -0.01 -0.01 0.02 0.01 0.01 -0.10 -0.02 0.02 0.01 -0.01 0.00 -0.04 0.07 -0.00 -0.00 0.00 0.01 -0.02 0.02 -0.07 0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 -0.01 0.01 0.24 -0.18 0.92 -0.05 0.02 -0.13 0.03 -0.01 0.13 0.02 -0.02 0.05 0.04 0.00 -0.06 0.01 -0.00 0.00 0.01 -0.04 0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 -0.01 -0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.01 -0.01 0.01 0.01 -0.01 0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 0.07 -0.03 0.01 -0.04 -0.11 -0.03 -0.02 0.01 0.01 -0.03 -0.01 0.01 0.05 0.14 0.01 -0.07 -0.11 0.11 0.32 0.20 -0.05 0.12 -0.45 -0.12 -0.05 0.14 0.06 -0.43 0.19 0.30 -0.06 0.05 0.03 -0.27 0.01 -0.01 -0.00 0.05 -0.05 0.02 -0.01 -0.02 0.02 -0.03 -0.05 -0.02 0.02 0.06 0.05 -0.03 -0.01 -0.03 0.01 0.01 0.05 -0.04 0.01 0.00 -0.01 0.02 0.13 -0.11 -0.04 -0.01 -0.00 -0.03 0.01 -0.00 -0.04 0.02 -0.01 -0.03 0.06 -0.06 0.07 0.01 0.02 -0.04 -0.07 0.06 0.04 0.02 -0.04 -0.03 -0.00 -0.02 -0.01 -0.01 -0.02 0.02 -0.02 -0.10 -0.07 0.03 -0.04 0.01 0.00 0.02 -0.02 -0.01 -0.02 0.01 0.03 -0.09 -0.03 0.01 0.04 -0.01 -0.02 0.09 -0.05 0.04 -0.02 0.01 -0.03 -0.08 -0.01 0.00 0.00 0.00 -0.02 -0.01 0.01 0.04 0.09 0.01 -0.10 -0.04 -0.03 0.30 0.17 -0.04 0.07 -0.30 -0.09 0.03 0.10 0.01 -0.22 0.06 0.19 0.15 -0.13 -0.10 0.34 -0.30 -0.04 0.06 -0.05 0.12 -0.04 0.02 0.03 -0.06 0.05 0.12 0.05 -0.05 -0.13 -0.07 0.05 0.01 0.05 -0.03 -0.02 -0.12 0.10 -0.02 -0.00 0.01 -0.04 -0.31 0.26 0.09 0.00 0.02 0.08 -0.02 -0.00 0.08 -0.02 0.00 0.05 -0.10 0.09 -0.11 -0.01 -0.03 0.06 -0.07 0.08 0.04 0.02 -0.04 -0.02 -0.00 -0.02 -0.02 -0.01 -0.01 0.02 -0.02 -0.09 -0.06 0.04 -0.05 0.01 0.01 0.02 -0.04 -0.00 -0.02 0.02 0.01 -0.11 -0.03 0.01 0.03 -0.01 -0.02 0.10 -0.03 0.00 0.01 0.03 -0.03 -0.04 -0.01 0.02 0.00 -0.00 -0.05 0.01 0.02 0.02 -0.01 -0.01 -0.07 -0.02 0.03 0.27 0.14 -0.04 -0.08 0.08 0.03 0.30 -0.00 -0.07 -0.01 -0.31 0.08 -0.02 -0.02 -0.00 0.09 0.07 0.01 -0.00 0.02 -0.00 0.01 0.02 0.00 -0.00 -0.00 0.00 -0.01 0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.14 -0.08 -0.07 0.09 0.05 0.09 -0.03 -0.03 0.08 -0.05 -0.19 0.07 0.42 0.19 0.02 0.10 -0.35 0.09 -0.16 -0.11 -0.04 -0.03 0.09 -0.23 0.01 0.15 0.01 -0.12 -0.03 0.05 -0.21 -0.13 -0.01 0.02 -0.01 -0.06 -0.04 0.01 0.02 0.02 -0.00 -0.08 0.02 0.03 0.05 -0.05 -0.02 -0.13 0.01 0.02 0.43 0.25 -0.06 -0.17 0.25 0.10 0.55 -0.02 -0.17 0.24 -0.10 -0.20 -0.00 0.01 0.01 0.03 0.04 0.01 -0.02 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.01 -0.01 0.01 0.00 0.00 -0.00 -0.02 -0.01 0.00 0.05 -0.04 -0.01 -0.05 0.00 -0.01 -0.05 0.08 0.13 -0.05 -0.16 -0.12 0.05 -0.08 0.13 -0.04 0.13 0.02 0.03 0.01 -0.01 0.03 -0.10 -0.07 -0.01 0.03 0.03 -0.04 0.10 0.14 -0.02 0.01 -0.01 0.02 -0.00 0.00 0.00 0.01 0.00 0.03 -0.02 -0.01 -0.03 0.01 0.01 0.05 -0.02 -0.06 0.02 0.02 -0.00 0.11 -0.27 -0.08 -0.20 0.01 0.03 0.34 -0.18 -0.25 0.06 -0.01 -0.08 0.47 -0.36 0.04 -0.14 0.07 -0.04 -0.01 -0.04 0.05 -0.01 0.01 0.06 -0.11 0.10 0.03 0.01 0.00 -0.01 0.05 -0.05 0.05 0.15 -0.12 -0.04 -0.05 0.06 -0.07 0.03 -0.03 0.02 0.19 -0.13 0.02 0.17 -0.16 0.03 -0.03 0.02 -0.06 -0.02 0.02 -0.05 -0.05 0.06 -0.08 -0.03 0.06 0.04 0.02 -0.02 -0.00 -0.00 -0.02 -0.03 -0.01 0.03 0.03 -0.01 -0.03 -0.04 0.06 -0.06 -0.01 0.01 0.05 -0.06 -0.01 0.00 0.02 0.01 -0.05 -0.00 0.00 0.01 0.01 0.01 0.01 0.02 -0.04 0.02 -0.02 0.02 -0.00 0.00 0.01 0.02 0.00 0.03 -0.04 -0.01 -0.03 0.01 0.02 0.09 -0.05 -0.04 0.10 0.07 -0.01 0.15 -0.39 -0.11 -0.20 0.01 0.03 0.56 -0.36 -0.34 -0.04 0.01 0.04 -0.12 0.29 -0.00 0.03 -0.04 0.01 0.01 0.01 -0.02 0.01 -0.01 -0.03 0.04 -0.03 -0.01 -0.01 0.00 0.01 -0.02 0.02 -0.02 -0.04 0.04 0.02 0.02 -0.02 0.03 0.00 -0.01 -0.01 -0.07 0.04 -0.01 -0.06 0.06 -0.01 0.01 -0.01 0.03 0.00 -0.01 0.01 0.02 -0.02 0.03 -0.07 0.08 0.06 0.01 -0.02 0.00 0.01 -0.03 -0.04 -0.00 0.03 0.02 -0.01 -0.04 -0.02 0.06 -0.06 -0.01 0.03 0.04 -0.09 -0.00 0.00 0.03 -0.01 -0.05 0.01 0.01 0.01 0.00 -0.00 0.04 -0.02 -0.04 0.01 0.00 0.00 0.02 0.01 0.01 0.03 0.00 -0.02 -0.02 0.00 0.00 -0.02 -0.00 0.03 0.00 -0.01 0.26 0.17 -0.03 0.04 -0.22 -0.05 0.14 -0.01 -0.04 0.09 0.09 -0.15 0.00 0.00 0.00 0.03 -0.02 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.01 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.01 -0.01 0.00 0.01 -0.01 0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.01 -0.01 0.01 -0.01 -0.04 -0.04 0.08 -0.11 0.04 -0.04 0.05 0.07 0.14 0.06 -0.16 -0.27 0.11 0.09 0.19 -0.36 0.18 0.27 0.00 -0.36 0.17 0.02 -0.06 -0.11 0.19 -0.08 -0.15 0.05 0.01 -0.02 0.07 -0.06 -0.28 -0.00 0.01 -0.01 -0.01 -0.00 0.01 0.00 0.01 0.00 -0.01 0.00 0.00 0.01 -0.02 -0.00 -0.02 0.01 0.00 0.09 0.06 -0.01 -0.03 0.05 0.02 0.10 -0.01 -0.02 0.06 0.11 -0.03 0.01 0.01 0.00 0.00 -0.08 0.01 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.01 0.00 -0.00 -0.00 0.01 -0.01 0.01 0.00 -0.00 -0.00 0.01 -0.01 0.00 0.01 -0.01 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.01 -0.01 0.01 -0.03 -0.13 0.08 -0.06 -0.08 -0.02 0.12 -0.01 -0.10 0.04 -0.11 -0.17 0.10 -0.35 0.17 -0.11 0.12 -0.22 0.15 -0.17 -0.33 -0.07 0.07 0.05 -0.22 0.52 0.31 0.03 0.09 0.01 0.03 0.07 -0.10 -0.06 0.00 0.02 0.05 0.06 -0.00 -0.02 0.08 0.02 -0.05 -0.04 0.00 -0.02 -0.06 -0.01 0.20 -0.04 -0.05 0.21 0.22 -0.01 0.09 -0.47 -0.12 0.22 -0.05 -0.06 -0.17 0.13 0.11 -0.01 0.04 -0.07 -0.26 0.29 -0.15 0.03 -0.02 0.01 0.02 -0.02 0.03 -0.00 0.00 -0.01 0.03 -0.02 -0.01 0.00 -0.00 -0.00 0.07 -0.10 0.12 -0.03 0.02 0.01 -0.10 0.10 -0.09 -0.00 -0.00 -0.01 -0.04 0.02 -0.01 -0.04 0.04 -0.01 -0.00 -0.02 -0.10 0.05 -0.07 0.01 -0.10 0.14 -0.21 0.06 -0.09 0.01 0.03 0.05 0.05 -0.03 -0.02 -0.03 -0.01 0.07 0.09 -0.03 -0.00 -0.01 0.13 -0.07 -0.09 -0.03 0.15 0.04 0.01 0.04 0.01 -0.07 0.18 0.08 -0.01 -0.04 -0.05 -0.01 -0.04 0.02 0.06 -0.00 -0.02 -0.04 -0.07 -0.00 -0.00 -0.07 -0.01 0.03 0.04 0.00 0.03 0.06 0.00 -0.12 -0.02 0.04 -0.23 -0.20 0.01 -0.10 0.47 0.12 -0.11 0.06 0.04 0.16 -0.14 -0.12 -0.02 0.04 -0.06 -0.24 0.37 -0.15 0.02 -0.02 0.01 0.01 -0.01 0.04 0.00 0.00 -0.01 0.02 -0.02 -0.01 0.01 -0.01 -0.01 0.06 -0.09 0.11 -0.02 0.02 0.01 -0.09 0.10 -0.07 0.01 -0.01 -0.01 -0.04 0.02 -0.01 -0.04 0.04 -0.01 0.01 -0.04 -0.09 0.06 -0.09 0.03 -0.11 0.15 -0.24 -0.05 0.08 -0.01 -0.03 -0.06 -0.05 0.05 0.03 0.02 0.01 -0.07 -0.11 0.04 -0.07 0.02 -0.16 0.09 0.07 0.06 -0.17 -0.11 -0.01 -0.04 0.00 0.03 -0.11 -0.04 0.01 0.05 0.06 -0.00 0.07 0.03 0.02 0.02 -0.02 -0.10 -0.06 0.02 0.05 -0.09 -0.03 0.07 0.02 -0.01 0.03 0.07 0.01 -0.27 0.07 0.07 0.04 -0.11 -0.03 -0.05 0.44 0.10 -0.15 0.06 0.05 0.09 0.05 -0.12 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.02 0.01 -0.00 0.00 0.00 -0.01 0.02 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.04 -0.06 0.01 0.01 -0.05 0.01 -0.05 0.04 -0.08 -0.14 -0.11 0.25 0.02 0.17 0.12 -0.04 -0.09 -0.05 0.02 0.10 0.10 -0.02 0.12 0.08 0.19 -0.22 0.09 -0.06 0.21 0.15 0.03 0.07 -0.04 0.07 0.17 0.00 0.05 -0.09 -0.20 0.04 -0.10 -0.36 0.00 0.05 0.01 -0.10 0.08 0.04 0.11 -0.06 -0.04 0.07 -0.05 -0.03 -0.05 -0.05 0.00 -0.33 0.27 0.15 0.58 0.19 -0.10 0.04 0.04 -0.00 -0.53 -0.08 0.13 -0.09 0.05 0.10 -0.00 0.01 -0.01 -0.04 0.01 -0.02 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.01 -0.00 -0.00 0.01 -0.00 0.01 -0.01 0.00 0.00 -0.02 -0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.02 0.04 -0.06 0.03 -0.00 0.04 0.02 0.02 -0.02 0.04 -0.00 -0.05 0.00 -0.02 -0.02 -0.00 0.01 0.01 -0.01 0.01 -0.00 -0.00 -0.03 -0.02 0.00 0.03 -0.06 0.00 -0.01 -0.02 -0.00 -0.01 0.00 -0.02 0.01 0.02 -0.01 0.01 0.03 -0.01 0.01 0.08 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.01 -0.01 -0.00 -0.03 -0.01 0.00 -0.01 0.02 0.01 0.02 0.01 -0.01 0.02 -0.01 -0.00 -0.00 0.01 -0.02 -0.05 0.07 -0.03 0.01 -0.01 0.00 -0.00 -0.01 0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.04 0.04 0.04 0.01 0.01 -0.00 -0.08 -0.11 -0.06 -0.03 -0.02 0.00 0.03 -0.05 -0.01 -0.06 0.02 0.02 -0.33 0.48 -0.42 0.17 0.24 0.17 0.42 -0.11 0.37 -0.01 -0.00 0.02 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 0.01 -0.01 -0.01 0.03 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 0.00 -0.00 -0.01 0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.02 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.04 0.05 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.09 -0.11 0.01 -0.01 -0.01 -0.01 0.21 0.25 -0.01 -0.36 0.53 0.15 0.58 -0.25 -0.17 -0.03 0.04 -0.04 0.01 0.02 0.01 0.04 -0.01 0.03 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.02 -0.01 0.00 0.00 -0.02 -0.00 0.02 0.00 -0.01 0.01 -0.02 -0.02 -0.02 0.03 -0.02 0.32 -0.34 0.09 -0.09 0.06 -0.04 -0.01 0.01 -0.03 0.00 -0.00 0.04 0.07 -0.06 -0.06 0.01 -0.01 0.01 0.02 -0.01 -0.01 -0.03 0.03 0.14 -0.04 0.00 0.03 0.42 -0.36 -0.13 -0.30 0.09 -0.20 -0.16 0.27 -0.20 0.02 0.00 -0.15 0.15 -0.11 0.17 0.04 0.09 -0.13 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.01 -0.04 0.00 -0.00 0.05 -0.00 0.01 -0.01 -0.00 -0.02 0.01 0.04 -0.00 0.00 0.01 0.02 -0.04 -0.02 0.00 0.01 0.01 0.01 -0.01 -0.04 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.02 -0.01 0.00 0.00 -0.02 -0.00 0.02 0.00 -0.01 0.02 -0.01 0.00 -0.02 0.00 0.03 0.11 -0.13 0.07 0.01 -0.00 -0.01 -0.01 0.02 -0.04 0.00 -0.00 -0.02 0.02 -0.01 0.06 -0.03 0.01 0.02 0.06 -0.01 -0.07 -0.03 0.02 -0.07 -0.09 0.00 0.10 -0.25 0.21 0.06 0.17 -0.05 0.14 0.10 -0.15 0.14 0.08 -0.02 -0.35 0.33 -0.29 0.41 0.08 0.22 -0.36 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.05 -0.01 -0.00 0.02 -0.00 0.04 0.00 -0.07 -0.03 0.01 0.08 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.01 -0.01 -0.02 0.01 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.02 0.00 0.02 0.02 -0.00 -0.00 -0.02 -0.00 -0.02 -0.01 0.01 -0.06 0.01 0.03 -0.00 -0.00 0.00 0.02 -0.02 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.01 0.01 0.00 0.01 0.00 0.01 0.00 -0.01 0.01 0.01 -0.01 -0.03 0.04 -0.04 0.04 0.00 0.03 -0.05 0.01 -0.01 -0.02 0.04 0.00 0.07 0.04 0.02 -0.04 -0.00 0.18 0.10 -0.02 0.14 0.00 -0.32 -0.04 0.64 0.17 0.00 -0.58 -0.06 -0.01 0.01 0.05 -0.12 -0.06 -0.01 -0.02 -0.04 -0.02 0.01 0.03 0.01 0.00 0.00 -0.00 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.01 0.02 0.01 0.04 0.03 -0.01 -0.01 0.01 0.01 -0.03 -0.01 -0.00 -0.00 -0.02 -0.00 -0.00 0.02 -0.01 -0.01 -0.01 -0.01 -0.02 0.02 -0.02 0.00 -0.01 0.01 0.00 -0.00 -0.01 0.03 -0.02 0.03 0.01 -0.01 -0.01 -0.01 -0.00 0.02 -0.02 0.02 -0.02 0.02 0.00 -0.02 -0.06 0.05 0.01 0.06 -0.03 0.05 0.04 -0.05 0.05 -0.01 0.00 0.07 -0.06 0.05 -0.08 -0.03 -0.04 0.05 -0.02 -0.06 -0.03 -0.01 -0.08 0.03 -0.02 0.01 -0.09 0.09 -0.55 0.02 -0.02 0.61 -0.01 0.02 -0.08 0.13 -0.10 0.07 0.19 -0.01 0.05 0.05 0.09 -0.23 -0.11 0.04 0.07 0.03 0.09 -0.05 -0.27 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.02 -0.01 -0.01 0.00 0.00 -0.01 -0.00 0.01 0.01 -0.00 0.01 -0.03 -0.03 -0.07 0.07 -0.03 0.28 -0.32 0.09 -0.13 0.09 -0.10 -0.00 0.01 -0.04 0.02 -0.02 -0.02 0.16 -0.12 0.13 0.06 -0.04 -0.01 -0.04 -0.01 0.09 -0.12 0.09 -0.07 0.03 0.01 -0.07 -0.24 0.21 0.02 0.22 -0.09 0.23 0.16 -0.19 0.23 -0.06 0.02 0.19 -0.13 0.14 -0.18 -0.02 -0.12 0.24 0.01 0.03 0.01 0.01 0.03 -0.01 0.01 -0.00 0.03 -0.04 0.27 -0.01 0.01 -0.22 0.00 -0.02 0.03 -0.02 0.04 -0.03 -0.08 0.00 -0.02 -0.02 -0.02 0.05 0.02 -0.02 -0.03 -0.01 -0.03 -0.00 0.09 0.21 0.04 -0.05 0.11 0.04 -0.02 -0.17 0.04 0.05 -0.14 -0.02 0.03 0.08 -0.15 -0.05 0.14 0.06 -0.02 0.22 0.29 0.01 -0.25 0.25 0.11 -0.67 -0.20 0.14 0.04 -0.01 0.08 0.00 0.01 -0.00 -0.01 -0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.09 0.05 0.06 -0.00 0.01 -0.01 -0.00 -0.02 0.01 -0.01 0.06 -0.02 -0.00 -0.04 -0.00 0.06 -0.02 -0.08 -0.00 -0.01 0.03 -0.00 -0.00 -0.00 0.05 -0.01 -0.02 0.01 -0.01 -0.02 -0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.01 0.01 -0.00 -0.00 -0.00 0.01 -0.02 -0.01 -0.01 -0.00 -0.02 -0.03 -0.03 0.03 0.01 -0.00 -0.01 -0.03 0.04 -0.02 -0.01 0.00 -0.00 -0.00 -0.01 0.03 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 -0.00 0.00 0.00 0.01 -0.00 0.01 0.01 -0.01 -0.00 0.00 -0.01 -0.00 0.01 -0.00 0.00 0.00 0.01 -0.02 -0.02 0.00 -0.01 -0.02 0.01 -0.03 0.01 -0.02 -0.04 -0.06 0.04 0.02 0.10 -0.03 -0.10 -0.04 0.27 -0.09 0.07 -0.38 0.19 0.02 -0.09 0.17 -0.07 -0.25 0.50 -0.04 0.08 0.06 0.23 -0.44 -0.25 -0.01 -0.02 -0.01 -0.05 0.08 0.14 -0.07 0.14 0.05 0.01 -0.06 -0.01 -0.09 -0.03 0.02 0.09 -0.10 -0.04 -0.02 0.06 0.02 0.53 -0.50 -0.23 0.31 0.19 -0.04 -0.07 0.40 0.10 -0.09 0.07 0.04 -0.02 0.04 0.05 -0.00 0.00 0.01 0.03 -0.05 0.02 0.01 -0.00 0.01 0.01 -0.00 -0.03 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.01 0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.02 0.03 0.03 -0.02 0.02 0.01 -0.01 0.04 0.04 -0.03 -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 0.09 -0.01 -0.00 0.03 -0.00 -0.01 0.01 -0.00 -0.00 -0.01 0.02 -0.00 0.00 0.00 0.02 -0.02 -0.01 -0.01 0.00 0.00 0.01 -0.02 -0.03 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.02 -0.01 0.00 0.01 -0.02 -0.00 0.04 0.01 -0.01 0.03 0.03 0.04 0.02 -0.00 -0.02 -0.12 0.12 -0.07 -0.04 0.02 -0.03 -0.00 -0.04 0.10 0.00 0.00 0.01 0.01 -0.01 0.01 -0.01 0.01 -0.01 0.01 0.01 -0.05 -0.01 0.01 0.00 0.02 -0.01 0.03 0.04 -0.04 -0.03 0.02 -0.03 0.01 0.04 -0.02 0.01 0.00 0.05 -0.08 -0.08 0.06 -0.05 -0.02 0.03 -0.12 -0.01 -0.03 0.03 -0.00 -0.13 0.03 0.01 0.01 0.06 -0.03 0.70 -0.20 -0.08 0.45 -0.10 0.00 0.13 -0.29 0.03 0.01 -0.01 -0.00 0.03 -0.01 0.07 -0.06 -0.07 0.00 0.02 -0.04 0.01 0.00 -0.04 -0.01 0.03 0.01 0.01 -0.02 -0.01 -0.02 -0.00 0.00 0.01 -0.01 -0.00 -0.01 0.01 0.00 0.08 -0.08 -0.02 0.02 0.01 0.00 -0.01 0.04 0.01 0.01 0.01 0.00 0.04 0.04 0.09 0.03 0.01 -0.06 -0.20 0.24 -0.15 -0.08 0.05 -0.06 -0.01 -0.10 0.23 0.01 -0.00 0.02 0.04 -0.03 0.03 -0.01 0.02 -0.02 0.02 0.03 -0.11 -0.03 0.03 0.00 0.04 -0.04 0.07 0.09 -0.07 -0.06 0.06 -0.06 0.05 0.07 -0.05 0.05 -0.00 0.16 -0.22 -0.23 0.15 -0.15 -0.09 0.07 -0.33 0.02 0.04 0.00 0.01 0.09 -0.02 -0.02 0.01 -0.02 0.02 -0.44 0.15 0.05 -0.25 0.05 -0.02 -0.06 0.20 -0.01 0.03 -0.04 0.01 -0.06 -0.02 -0.08 0.17 0.12 -0.01 -0.01 0.00 0.05 -0.12 0.06 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.01 -0.01 0.00 0.00 -0.02 -0.00 -0.02 -0.01 0.01 0.03 0.00 0.03 0.01 -0.01 0.01 -0.03 0.01 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.03 0.03 -0.01 0.02 0.01 -0.01 0.03 -0.01 0.04 -0.01 0.02 -0.05 0.02 -0.00 0.08 -0.11 -0.03 0.35 0.01 -0.01 0.01 -0.02 -0.03 -0.05 0.36 -0.17 -0.14 0.47 0.04 -0.09 -0.00 -0.25 0.36 0.28 -0.03 0.01 0.02 0.07 -0.23 -0.31 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.03 0.01 -0.01 0.14 -0.14 0.06 -0.34 0.30 -0.11 -0.10 0.08 -0.06 0.03 0.03 -0.06 0.01 -0.01 0.02 0.00 -0.00 0.01 -0.05 0.03 0.01 0.00 -0.00 -0.00 -0.05 0.04 0.01 -0.03 0.02 -0.03 0.28 -0.24 -0.18 0.18 -0.23 0.09 0.26 -0.13 0.08 0.05 -0.20 0.16 0.23 -0.16 0.16 0.13 -0.04 0.26 -0.00 -0.01 -0.01 0.01 0.02 -0.01 0.00 -0.02 0.02 0.00 -0.03 0.03 0.00 -0.10 -0.02 0.00 0.00 -0.05 0.04 0.03 -0.11 -0.01 0.02 0.00 0.05 -0.09 -0.06 -0.01 0.00 0.02 0.04 -0.12 -0.17 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.06 0.04 0.05 0.02 -0.01 0.01 -0.05 0.03 -0.01 -0.02 0.01 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.01 0.00 -0.01 0.01 -0.01 0.06 -0.05 -0.04 0.04 -0.05 0.03 0.05 -0.03 0.02 0.04 -0.09 0.04 0.07 -0.10 0.04 0.05 -0.03 0.14 0.01 0.02 0.03 -0.05 -0.04 0.01 -0.00 0.03 -0.04 -0.03 -0.13 -0.00 0.05 0.27 0.13 -0.04 0.01 0.09 -0.06 -0.01 0.17 0.02 -0.04 -0.01 -0.09 0.16 0.11 0.05 -0.02 -0.08 -0.17 0.49 0.65 0.02 -0.01 -0.01 0.03 -0.00 -0.01 -0.04 0.01 0.01 0.03 -0.03 -0.01 -0.04 0.01 0.01 -0.10 0.11 0.04 0.05 0.06 0.00 0.01 0.07 0.01 0.10 0.02 -0.02 -0.03 -0.01 -0.04 0.01 -0.01 0.01 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.01 0.02 -0.02 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.01 -0.01 -0.00 -0.01 -0.01 0.02 -0.01 0.00 -0.00 -0.03 -0.04 0.01 0.09 0.01 -0.03 0.06 -0.05 0.05 0.02 0.00 -0.01 0.06 -0.24 0.19 -0.05 0.65 0.05 0.43 0.24 -0.39 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 0.01 0.01 0.01 -0.01 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.02 0.03 0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.03 -0.04 0.00 0.00 0.00 -0.00 0.45 0.55 -0.03 0.31 -0.19 0.32 -0.24 0.26 -0.35 -0.01 0.02 -0.02 0.00 -0.05 -0.01 -0.04 -0.02 0.03 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.01 0.00 -0.00 -0.02 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.07 0.03 0.02 -0.10 0.01 0.03 0.12 -0.02 -0.03 -0.11 0.08 0.04 0.16 -0.03 -0.04 0.36 -0.39 -0.16 -0.13 -0.17 -0.00 -0.03 -0.19 -0.03 -0.35 -0.06 0.08 0.02 0.02 0.04 -0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.01 0.01 -0.00 0.01 -0.02 0.01 0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.01 0.01 0.00 -0.01 0.00 -0.01 0.01 -0.01 0.00 -0.02 -0.01 -0.01 -0.10 0.07 0.06 -0.06 0.03 -0.06 -0.04 0.04 -0.06 0.07 -0.24 0.18 0.06 0.30 0.08 0.31 0.12 -0.10 0.01 -0.01 -0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.06 -0.01 0.10 0.08 0.03 0.09 0.05 -0.03 0.01 -0.01 -0.05 -0.01 -0.01 -0.00 0.00 0.02 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.02 0.03 -0.01 0.00 0.00 -0.02 0.01 0.01 0.02 -0.00 -0.01 -0.02 0.01 0.01 0.03 -0.00 -0.01 0.07 -0.08 -0.03 -0.02 -0.03 -0.00 -0.01 -0.03 -0.00 -0.07 -0.01 0.02 0.01 -0.00 0.00 -0.03 0.02 0.00 0.08 -0.08 0.04 0.05 -0.04 0.02 -0.00 0.02 -0.03 -0.01 0.01 0.01 -0.03 0.02 -0.03 0.01 -0.01 0.00 0.00 -0.01 0.02 -0.04 0.03 -0.03 0.02 -0.02 0.02 0.43 -0.36 -0.29 0.25 0.05 0.38 0.02 -0.22 0.39 -0.09 0.20 -0.07 -0.09 0.08 -0.06 -0.17 -0.00 -0.18 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.02 0.00 -0.03 -0.02 0.00 -0.02 0.01 -0.00 0.01 -0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.02 0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.01 0.01 -0.01 0.02 -0.01 0.00 0.01 -0.01 0.00 -0.00 -0.01 0.02 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.01 0.01 0.00 0.00 -0.00 -0.01 -0.03 0.03 0.02 0.06 -0.05 -0.04 0.02 0.12 0.12 -0.11 -0.03 0.12 0.36 -0.37 -0.40 -0.31 -0.19 -0.24 0.43 0.06 0.29 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 0.06 -0.01 -0.10 -0.08 -0.04 -0.08 -0.01 0.00 0.01 0.00 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.02 -0.04 0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.04 0.04 0.02 0.01 0.02 -0.00 0.00 0.02 0.00 0.03 0.01 -0.01 -0.02 -0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.02 -0.02 -0.02 0.01 0.05 0.05 -0.04 -0.02 0.05 0.05 -0.02 -0.10 -0.07 -0.06 -0.06 0.03 -0.00 0.05 -0.01 -0.01 0.00 0.00 -0.02 -0.08 -0.01 0.01 0.01 -0.37 0.12 0.55 0.46 0.16 0.43 0.16 -0.05 -0.03 -0.00 -0.14 -0.08 -0.00 0.01 0.00 0.02 -0.01 -0.01 -0.00 0.00 -0.00 0.02 -0.05 -0.09 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.00 0.00 0.01 -0.01 -0.00 -0.02 0.00 0.01 -0.04 0.05 0.02 0.01 0.01 0.00 0.01 0.01 0.00 0.05 0.01 -0.01 0.00 0.01 0.00 -0.02 0.03 -0.03 0.02 0.00 -0.02 -0.00 0.00 -0.01 0.01 -0.05 0.08 0.00 0.00 0.00 0.01 -0.01 -0.01 -0.01 0.01 -0.00 0.00 0.01 -0.05 0.03 -0.03 -0.03 -0.02 0.01 -0.05 0.05 -0.02 -0.03 -0.03 0.44 0.28 -0.43 -0.03 0.29 -0.05 -0.16 0.40 0.37 -0.02 0.26 0.05 -0.03 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.01 -0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.02 -0.05 -0.04 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.03 0.03 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 -0.01 0.01 0.00 0.01 -0.08 0.09 -0.04 0.15 -0.11 0.04 0.08 -0.07 0.03 -0.01 -0.05 0.10 -0.01 0.01 -0.00 -0.02 0.02 -0.01 0.01 -0.01 -0.01 -0.00 0.02 -0.04 -0.06 0.05 0.02 -0.02 0.02 -0.04 0.12 -0.12 -0.10 0.14 -0.49 -0.15 0.51 -0.06 -0.16 0.05 -0.23 0.24 0.23 -0.09 0.14 0.14 -0.02 0.23 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.01 0.01 0.00 -0.01 0.02 0.02 0.01 -0.01 0.00 0.09 -0.03 0.01 0.00 -0.09 -0.05 -0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.01 0.00 0.01 0.03 -0.07 -0.07 0.02 0.03 0.00 -0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.01 0.00 0.00 -0.02 -0.00 -0.03 -0.02 0.00 0.01 -0.04 -0.01 -0.00 -0.01 -0.01 0.04 0.01 0.06 -0.01 0.01 -0.00 0.01 -0.03 0.01 0.01 -0.01 0.01 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.03 0.00 -0.01 0.02 -0.04 0.00 0.03 0.00 -0.02 0.01 -0.02 0.01 0.01 -0.00 0.01 0.02 0.00 0.02 -0.00 0.01 -0.01 0.00 0.00 -0.03 0.04 -0.07 -0.01 -0.09 0.03 0.13 0.12 -0.01 0.11 -0.62 0.23 -0.09 0.04 0.64 0.24 0.01 -0.01 0.00 -0.00 -0.01 0.01 -0.01 0.00 0.00 0.02 -0.05 -0.05 0.20 0.38 0.03 -0.03 -0.20 -0.03 0.11 0.04 -0.02 -0.02 0.08 0.02 -0.20 -0.15 0.02 -0.14 -0.12 0.01 -0.34 -0.22 0.04 0.13 -0.39 -0.11 0.21 -0.14 -0.08 0.13 0.13 0.27 0.01 0.01 0.01 -0.04 -0.06 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 0.01 -0.02 0.00 0.01 0.00 0.00 -0.01 -0.03 0.04 -0.02 0.01 0.01 -0.03 -0.03 -0.04 -0.01 0.00 0.00 0.01 -0.02 0.02 0.02 0.02 -0.01 -0.03 -0.04 0.01 -0.03 0.22 -0.07 0.00 -0.00 -0.21 -0.12 0.00 0.00 -0.01 0.03 -0.03 -0.03 -0.00 0.00 -0.01 0.01 -0.01 -0.03 -0.21 0.13 0.08 0.16 -0.09 -0.06 -0.18 -0.23 -0.00 0.05 0.29 0.05 0.10 -0.06 -0.04 -0.39 0.37 0.17 0.30 -0.01 -0.07 0.27 -0.22 -0.11 -0.18 -0.07 0.03 -0.20 -0.06 -0.25 -0.00 -0.01 0.00 0.02 0.05 -0.00 0.01 0.00 0.00 -0.02 0.02 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.02 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.02 -0.02 0.01 -0.01 -0.00 0.02 0.05 -0.02 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.00 0.00 0.01 0.00 -0.03 0.01 0.01 -0.00 0.03 0.04 0.00 0.00 0.00 -0.02 0.01 0.01 0.00 0.00 0.01 0.00 0.00 0.01 -0.02 -0.04 -0.01 0.00 0.02 0.01 -0.04 -0.05 -0.00 0.02 0.05 0.00 -0.00 0.01 0.00 0.03 0.03 0.00 0.09 0.01 -0.02 0.05 -0.01 -0.02 0.08 0.01 -0.01 0.65 0.23 0.68 0.01 0.02 0.00 -0.07 -0.11 -0.00 -0.01 -0.01 0.00 0.02 -0.02 -0.03 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.02 -0.01 0.01 0.01 -0.01 -0.04 -0.01 -0.04 0.00 0.01 -0.00 -0.00 0.00 0.01 0.00 -0.02 0.00 -0.01 -0.02 -0.00 0.03 -0.01 -0.00 0.00 -0.03 -0.03 -0.00 -0.00 0.00 0.03 -0.03 -0.02 -0.00 -0.01 -0.01 0.01 -0.03 -0.02 -0.17 0.08 0.06 0.09 -0.13 -0.05 0.07 0.18 0.02 -0.06 -0.17 -0.02 0.11 0.03 -0.02 -0.50 0.35 0.20 -0.29 0.02 0.08 -0.21 0.16 0.08 -0.31 0.02 0.08 0.27 0.11 0.26 0.01 0.00 0.00 -0.04 -0.02 -0.01 -0.00 -0.00 0.01 -0.04 0.03 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.03 -0.02 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.01 0.02 0.02 -0.01 0.01 0.00 -0.00 0.02 0.01 -0.02 -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.04 0.00 0.01 0.02 -0.05 -0.02 -0.00 0.04 0.01 -0.00 -0.02 -0.00 0.02 0.01 -0.00 -0.25 0.34 0.14 -0.06 0.01 0.02 -0.03 0.04 0.02 -0.01 0.02 0.00 -0.21 -0.07 -0.19 -0.08 0.07 -0.02 0.20 -0.14 0.05 0.00 0.01 0.00 0.52 -0.34 -0.13 0.00 -0.00 -0.01 0.01 -0.01 0.01 -0.30 0.19 0.08 -0.05 0.01 0.05 -0.00 0.00 0.00 0.02 -0.02 0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.02 -0.00 -0.00 0.02 0.06 -0.10 -0.14 0.13 -0.11 0.03 0.02 -0.13 0.03 0.01 0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.02 -0.01 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.00 0.00 -0.00 -0.01 0.02 0.05 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.02 -0.03 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.04 -0.02 -0.03 0.05 -0.02 -0.06 0.15 -0.10 -0.04 -0.27 0.23 0.71 -0.01 -0.01 0.06 0.15 -0.14 -0.45 0.00 -0.00 -0.06 -0.00 0.01 -0.01 0.01 0.00 -0.02 -0.02 0.02 0.01 -0.00 -0.00 -0.00 0.14 -0.12 -0.08 0.06 -0.08 0.08 0.09 -0.03 0.08 -0.00 -0.01 0.00 0.01 -0.00 0.00 0.01 -0.00 0.02 0.01 0.01 0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.02 -0.01 -0.01 0.03 -0.01 0.00 -0.01 -0.03 -0.02 -0.00 -0.00 -0.01 0.01 0.01 0.00 -0.00 -0.00 -0.01 0.01 0.04 -0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.06 0.03 -0.01 -0.08 -0.02 -0.05 -0.02 0.01 0.02 -0.13 -0.28 -0.10 0.91 -0.08 0.23 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.05 -0.01 -0.05 0.00 0.01 0.00 0.82 0.15 0.45 -0.21 0.01 0.17 -0.06 -0.15 -0.05 0.03 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.03 -0.03 -0.02 0.00 -0.00 0.00 -0.15 0.10 -0.41 -0.44 -0.27 0.33 0.21 0.54 0.30 -0.03 -0.02 -0.01 0.01 0.00 -0.02 -0.01 0.03 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.02 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.04 0.01 -0.03 -0.01 0.01 -0.02 -0.02 -0.01 0.02 0.01 0.03 0.02 0.57 0.37 0.18 -0.27 -0.03 0.34 0.15 -0.50 -0.18 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.03 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.01 0.01 0.01 0.01 0.02 0.01 0.01 -0.01 -0.00 0.01 0.01 -0.02 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.05 -0.07 -0.03 0.12 0.02 0.07 -0.06 0.00 0.06 0.33 0.83 0.26 0.30 -0.04 0.08 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.08 -0.00 0.04 -0.01 -0.00 -0.00 0.21 0.04 0.13 0.71 -0.03 -0.64 0.01 0.02 0.01 0.06 -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 0.01 -0.02 0.04 0.51 0.30 -0.40 0.22 0.57 0.34 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.04 -0.08 -0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.54 0.35 0.17 0.12 0.00 -0.16 -0.20 0.64 0.24 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.09 -0.00 -0.00 0.00 0.30 -0.20 0.82 -0.25 -0.15 0.17 0.09 0.24 0.12 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.04 0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.07 -0.02 -0.06 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.15 -0.11 -0.06 -0.55 -0.06 0.68 -0.10 0.39 0.14 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.05 -0.06 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.63 0.76 -0.01 -0.01 0.01 0.00 0.02 0.01 -0.00 0.01 0.02 0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.06 -0.00 0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.03 0.00 -0.04 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.04 -0.04 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.01 -0.08 -0.21 0.12 0.97 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.05 -0.02 -0.06 -0.02 0.01 0.00 -0.00 -0.00 -0.01 -0.02 -0.00 -0.32 0.62 0.21 0.63 0.24 -0.11 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.06 0.02 -0.06 -0.03 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.30 -0.58 -0.19 0.67 0.26 -0.11 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.06 -0.04 0.01 0.88 0.46 -0.06 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.07 -0.02 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.01 0.98 0.20 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.03 -0.06 0.16 -0.43 0.88 0.00 -0.00 0.00 -0.00 -0.00 -0.00 6 7 6 6 7 1 1 1 1 1 6 1 6 6 8 8 8 8 6 6 1 1 1 1 1 1 5 6 6 1 1 1 1 7 1 7 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 6 7 6 6 7 1 1 1 1 1 6 1 6 6 8 8 8 8 6 6 1 1 1 1 1 1 5 6 6 1 1 1 1 7 1 7 1 12.00000 14.00307 12.00000 12.00000 14.00307 1.00783 1.00783 1.00783 1.00783 1.00783 12.00000 1.00783 12.00000 12.00000 15.99491 15.99491 15.99491 15.99491 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 11.00931 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 14.00307 1.00783 14.00307 1.00783 269.14211 3914.59357 6467.43850 7731.62507 0.9998 -0.0196 0.00421 0.01966 0.99971 -0.01363 -0.00395 0.01371 0.9999 asymmetric 1 0.02213 0.01339 0.01120 0.46103 0.27905 0.23342 792805.7 28.49 56.98 86.03 96.71 128.44 142.81 146.81 171.91 191.42 196.02 215.46 224.97 267.73 281.36 296.98 324.06 381.75 425.60 468.71 493.78 530.73 562.07 607.88 758.29 842.77 921.58 929.77 957.76 1020.52 1048.12 1063.50 1072.31 1084.11 1107.16 1138.49 1158.50 1191.78 1273.67 1295.07 1303.13 1322.47 1329.18 1354.54 1358.69 1385.28 1439.43 1450.76 1501.95 1546.72 1569.45 1577.01 1601.57 1618.32 1637.47 1645.60 1673.88 1693.99 1702.46 1704.34 1733.59 1756.77 1759.78 1774.40 1791.46 1830.11 1889.98 1953.17 1960.24 1976.15 2028.75 2051.74 2068.00 2111.47 2112.17 2116.67 2121.65 2133.25 2133.57 2138.19 2156.43 2162.48 2181.80 2258.00 2325.45 2390.59 2518.98 2629.23 4297.23 4332.84 4396.88 4400.20 4410.45 4484.57 4532.51 4552.15 4592.43 4608.07 4636.87 4671.54 4752.84 4781.08 5176.77 5189.73 5218.66 0.301964 0.321064 0.322008 0.252306 -935.393429 -935.374329 -935.373385 -935.443087 201.471 69.688 146.701 0.000 0.000 1.377 0.889 2.981 42.669 0.889 2.981 33.637 199.693 63.726 69.018 1 0.593 1.986 6.654 2 0.594 1.981 5.279 3 0.597 1.973 4.464 4 0.598 1.970 4.233 5 0.602 1.957 3.676 6 0.604 1.950 3.469 7 0.604 1.948 3.415 8 0.609 1.933 3.109 9 0.613 1.920 2.902 10 0.614 1.917 2.856 11 0.618 1.903 2.675 12 0.620 1.896 2.593 13 0.632 1.859 2.267 14 0.636 1.846 2.174 15 0.641 1.831 2.075 16 0.650 1.803 1.917 17 0.671 1.737 1.626 18 0.690 1.682 1.441 19 0.710 1.624 1.281 20 0.722 1.589 1.197 21 0.741 1.536 1.084 22 0.758 1.490 0.998 23 0.785 1.421 0.884 24 0.882 1.190 0.594 25 0.943 1.062 0.475 0.693658e+23 22.841146 52.593682 0.399024e+08 7.600999 17.501947 0.200000e+01 0.301030 0.693147 0.173551e+09 8.239426 18.971980 0.500830e+07 6.699690 15.426607 coments ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 4.7797 1.0067 -2.1043 5.3186 -89.3070 -105.5652 -110.0848 -1.4861 -2.9931 -5.8642 12.3453 -3.9128 -8.4325 -1.4861 -2.9931 -5.8642 63.0606 -4.3355 10.4402 0.0913 16.6170 -49.4178 -10.1981 -11.5174 5.4553 11.0574 -3057.9932 -1949.5896 -1081.3756 -34.1096 -28.3831 1.4259 -73.8891 -5.9600 -46.1155 -847.3254 -786.6644 -458.7892 -22.6098 -18.8730 -10.5617 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 2-A -935.6953926 0.75568 0. 0.750023 3.566E-9 1.033E-6 0.3019637 0.3210638 -935.3743289 -935.3733847 -935.443087 9.2914227,-2.057435,-7.2339876,-1.5770973,-0.8861398,-4.0580363 C01 [X(C10H18B1N4O4)] 1.9908065 0.272211 -0.5840721 0.081002 0.0293696 -0.0198652 -0.0363348 0.158029 -0.037383 -0.3059048 -0.113849 0.006459 -0.5756268 -0.199759 0.0212875 -0.0988988 -0.384683 -0.0396049 0.038347 -0.0557 -0.1684422 0.139817 0.0992711 -0.0077006 -0.0068501 0.0473975 0.051166 -0.0333901 0.0334564 -0.0724196 -0.0500966 -0.1256542 -0.0372969 0.0451591 0.1497368 0.0632469 0.0157562 0.0895676 -0.0791781 -0.3826932 0.0474895 0.0279912 -0.0107912 -0.4215278 -0.0371962 0.0472401 -0.0627666 -0.1786746 0.745025 0.0709598 -0.1100633 0.3227816 0.2928507 -0.0481357 -0.0061067 0.025961 0.2219706 0.0789155 0.0063796 0.0107158 0.0238941 0.0735579 -0.0308216 0.022339 -0.0277595 0.1579369 0.0444798 -0.0067039 0.0118686 -0.0115202 0.101764 -0.0184053 0.0237432 -0.0171586 0.1702274 0.4083189 0.0385358 -0.0036868 -0.107282 0.3158253 0.0274061 -0.0481627 0.0169488 0.24535 -0.5003979 -0.2751771 -0.1810574 -0.1806549 -0.254597 -0.1034855 -0.2208526 -0.1920789 -0.1469099 -0.4793422 0.4445267 -0.2120995 0.5017034 -0.6367803 0.2184053 0.0898408 0.5344915 -0.0726388 0.0321532 0.0584795 -0.0089307 -0.0047163 0.0605495 -0.0227478 0.0185669 0.0121703 0.0088144 1.7176556 -0.4556255 0.4774258 -1.4280572 0.6939774 -0.5990341 0.3071945 -0.3851955 1.4074097 1.0476835 -0.5449021 -0.6185569 -0.1079342 1.7536341 -0.0598588 -0.6570761 -1.2583908 1.0889027 -0.867136 0.1120121 0.0610025 0.4039767 -0.4197303 -0.0134484 0.2408189 0.0739493 -0.7923287 -1.074076 0.4201297 -0.4466525 0.8793095 -0.7205576 0.5256129 -0.6922365 0.3683462 -1.0729504 -1.0770965 0.5839861 0.360976 0.1546625 -1.1510246 -0.1348828 0.1509276 0.0894489 -0.548827 -0.6262947 -0.19576 0.3087064 -0.1099329 -0.7833871 0.3703068 0.5062945 0.9445403 -1.1429526 0.7322161 -0.2695058 0.2043781 -0.4048199 0.512855 -0.1784385 0.0393322 -0.0241282 0.2894263 0.2228495 -0.0970782 0.0644413 0.0886464 0.5863249 -0.28622 -0.083331 -0.4014436 0.595112 0.0237403 0.0355527 -0.0262957 0.0640474 0.0362218 0.0510008 -0.080998 0.0755914 -0.0949339 -0.106337 0.0175751 -0.0157981 -0.0291911 -0.0124906 0.059278 0.0956404 0.0093646 0.057031 -0.0447959 -0.035526 -0.0777423 0.0463182 -0.0622787 0.0009349 0.0012802 -0.0971397 0.030359 -0.0042821 0.0074797 -0.0728476 -0.0733036 0.0276141 -0.0144624 0.0123716 0.0509274 0.0014505 -0.0149518 -0.02614 0.0950175 0.0120441 0.0560302 0.0169442 0.0668219 0.0697435 -0.0280402 0.0778355 0.0658883 -0.0282336 -0.0002875 -0.0944396 0.0366881 0.012872 -0.0542776 0.0021544 1.369729 0.3618134 0.0667326 0.3123753 1.2108897 0.2901709 0.5946926 0.6607009 0.9221566 0.1581497 0.0556977 0.0825997 0.0397025 0.5039048 0.3009913 0.025527 0.1502407 0.4055337 0.3031761 -0.1921067 -0.0971966 0.0024855 0.2465668 0.1167819 -0.0493347 0.4201501 0.3492405 -0.1015347 -0.0443551 -0.1800019 -0.0387216 -0.0607894 -0.0721489 -0.1066324 -0.0395976 -0.1160183 -0.0554461 0.0340148 0.145467 0.0129943 0.0061199 -0.0321671 0.0639171 -0.0436113 -0.0586823 0.0117135 -0.0833631 -0.0215272 -0.0536968 -0.2202154 -0.1277839 -0.0220354 -0.1299185 -0.0224319 -0.1692569 0.1783084 0.0023978 0.0555956 -0.0028395 0.0053055 -0.0657744 -0.0259039 -0.068737 -1.042234 -0.3335155 0.1043596 -0.298813 -1.1256202 -0.1939057 0.0044251 -0.4075601 -0.507179 0.3314961 0.193289 0.0302023 0.0557529 0.1731453 0.0182922 0.026394 0.0147316 0.035799 -0.4530053 0.0537251 0.0415832 0.0241015 -0.7834938 0.0865885 -0.0741782 -0.2512472 -1.0284706 0.0986475 -0.0293113 0.0483999 -0.0437447 0.1274601 -0.18899 0.0416714 -0.052604 0.2044815 203.6469256|7.4876012|177.719753|9.9463711|13.4394494|140.3116356 0.000000177 0.000001273 0.000001044 0.000002565 -0.000000225 -0.000002577 0.000000482 0.000000465 0.000001416 -0.000000225 0.000000159 0.000000769 0.000000679 -0.000000804 0.000000535 -0.000000743 0.000001059 0.000003566 0.000000426 0.000000566 0.000000412 0.000000155 0.000000577 0.000000955 -0.000000807 0.000001047 0.000000038 0.000000961 -0.000001126 -0.000002203 -0.000001842 -0.000001134 -0.000001318 0.000000880 0.000000120 -0.000000352 -0.000000017 0.000002046 0.000001518 -0.000000770 -0.000000591 0.000002899 0.000000779 -0.000000163 -0.000001041 -0.000000076 -0.000001014 -0.000000884 0.000000930 -0.000001983 -0.000002053 0.000000569 -0.000000258 -0.000001175 0.000000511 -0.000000213 -0.000000523 0.000000328 -0.000000878 -0.000000034 0.000000356 -0.000000401 -0.000000644 0.000000035 -0.000000514 -0.000000824 -0.000000066 -0.000000457 -0.000000459 -0.000000275 -0.000001244 -0.000000078 -0.000000405 -0.000000465 -0.000000511 0.000000121 -0.000000187 -0.000000048 0.000001105 0.000000902 0.000001597 -0.000000501 0.000000419 -0.000000285 -0.000000342 0.000000370 0.000000366 -0.000000233 -0.000000023 -0.000000346 -0.000000255 -0.000000358 0.000000615 -0.000000845 0.000000190 0.000000176 -0.000000595 -0.000000445 -0.000000089 0.000000377 0.000002748 -0.000000135 -0.000001275 -0.000000029 0.000000175 -0.000001351 -0.000001525 0.000001032 -0.000000810 0.000002098 -0.000001533 250.94240000000002 AuxInfo=1/0/N:3,4,28,29,1,27,2,5,36,34;19,20,11,13,14,15,17,16,18/E:(1,2)(3,4)(7,8)(9,10);(1,2)(4,5)(6,7)(8,9)/CRV:1.3,2.3,5.3,6.4;3.3,4.3,5.3,6.1,7.1/rA:37nC3NC3C3NHHHHHC3HC3C3O1OO1OCCHHHHHHB4CCHHHHNHNH/rB:s1;s2;s3;s1s4;s2;s3;s4;s5;;;s11;s11;s11;s13;s13;s14;s14;s16;s18;s19;s19;s19;s20;s20;s20;s1s10;;s28;s28;s28;s29;s29;s27s29;s34;s27s28;s36;/rC:2.118,.0953,-.1891;2.3754,-1.1529,-.5914;3.7263,-1.327,-.7907;4.3228,-.135,-.5079;3.3035,.7167,-.1446;1.6076,-1.8459,-.6995;4.1525,-2.2709,-1.1155;5.3655,.1643,-.5375;3.3289,1.6945,.1393;-.1019,.4011,-.7416;-1.3075,-.7453,-1.2108;-.9757,-.8346,-2.2452;-2.4253,.1598,-.9429;-.9101,-1.8352,-.3419;-2.876,.4598,.1392;-2.866,.7233,-2.0868;.0684,-2.5483,-.557;-1.6476,-1.9868,.7541;-3.8754,1.7021,-1.9426;-1.1219,-2.8237,1.7692;-4.1083,2.0568,-2.9534;-4.7765,1.2782,-1.4751;-3.5287,2.5402,-1.319;-.2219,-2.3557,2.1975;-1.9028,-2.8986,2.5341;-.8706,-3.8188,1.3777;.7389,.8658,.2032;.1014,1.7782,2.2957;.1626,2.9156,1.2671;.9917,1.838,2.9506;-.7836,1.8516,2.9456;.5852,3.8415,1.6954;-.8585,3.1496,.9028;1.0098,2.3479,.2261;.9798,2.8557,-.6514;.1174,.5326,1.5342;-.8243,.1581,1.4499; Gaussian 16 23-Sep-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 105 C1[X(C10H18BN4O4)] UwB97XD def2TZVPP SP #p wB97xD/def2TZVPP guess=read geom=allcheck SCF=(XQC) gfprint gfinput 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 250.94240000000002 AuxInfo=1/0/N:3,4,28,29,1,27,2,5,36,34;19,20,11,13,14,15,17,16,18/E:(1,2)(3,4)(7,8)(9,10);(1,2)(4,5)(6,7)(8,9)/CRV:1.3,2.3,5.3,6.4;3.3,4.3,5.3,6.1,7.1/rA:37nC3NC3C3NHHHHHC3HC3C3O1OO1OCCHHHHHHB4CCHHHHNHNH/rB:s1;s2;s3;s1s4;s2;s3;s4;s5;;;s11;s11;s11;s13;s13;s14;s14;s16;s18;s19;s19;s19;s20;s20;s20;s1s10;;s28;s28;s28;s29;s29;s27s29;s34;s27s28;s36;/rC:2.118,.0953,-.1891;2.3754,-1.1529,-.5914;3.7263,-1.327,-.7907;4.3228,-.135,-.5079;3.3035,.7167,-.1446;1.6076,-1.8459,-.6995;4.1525,-2.2709,-1.1155;5.3655,.1643,-.5375;3.3289,1.6945,.1393;-.1019,.4011,-.7416;-1.3075,-.7453,-1.2108;-.9757,-.8346,-2.2452;-2.4253,.1598,-.9429;-.9101,-1.8352,-.3419;-2.876,.4598,.1392;-2.866,.7233,-2.0868;.0684,-2.5483,-.5569;-1.6476,-1.9868,.7541;-3.8754,1.7021,-1.9426;-1.1219,-2.8237,1.7692;-4.1083,2.0568,-2.9534;-4.7765,1.2782,-1.4751;-3.5287,2.5402,-1.319;-.2219,-2.3557,2.1975;-1.9028,-2.8986,2.5341;-.8706,-3.8188,1.3777;.7389,.8659,.2032;.1014,1.7782,2.2957;.1626,2.9156,1.2671;.9917,1.838,2.9506;-.7836,1.8516,2.9456;.5852,3.8415,1.6954;-.8585,3.1496,.9028;1.0098,2.3479,.2261;.9798,2.8557,-.6514;.1174,.5326,1.5342;-.8243,.1581,1.4499; chk=87_2COOME_TS.chk Mem=24000MB NProc=12 #p wB97xD/def2TZVPP guess=read geom=allcheck SCF=(XQC) gfprint gfinput 1/29=7,38=1,172=1/1 2/12=2,40=1/2 3/5=44,7=202,11=2,14=-4,24=110,25=1,30=1,74=-58,116=-2/1,2,3 4/5=1/1 5/5=2,8=3,13=1,38=6/2,8 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 coments Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 12 14 12 12 14 1 1 1 1 1 12 1 12 12 16 16 16 16 12 12 1 1 1 1 1 1 11 12 12 1 1 1 1 14 1 14 1 12.0000000 14.0030740 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 11.0093053 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 14.0030740 1.0078250 14.0030740 1.0078250 0 2 0 0 2 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 1 1 1 1 1 1 3 0 0 1 1 1 1 2 1 2 1 3.6000000 4.5500000 3.6000000 3.6000000 4.5500000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 3.6000000 3.6000000 5.6000000 5.6000000 5.6000000 5.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 2.7500000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 4.5500000 1.0000000 4.5500000 1.0000000 (Enter /NFS_R1/Userdata/grufor/SOFTWARE/g16/l101.exe) Structure from the checkpoint file: "87_2COOME_TS.chk" def2TZVPP (5D, 7F) 0.10000e-02 0.10000e-05 F 954 A 841 A 841 1275 954 72 71 1539.7188669663 37 37 37 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 Grimme-D2 -0.0286537463 0.000000 1.336510 0.000000 2.229692 1.376547 0.000000 2.239616 2.199010 1.362648 0.000000 1.339211 2.134622 2.184742 1.377107 0.000000 2.071113 1.039927 2.183198 3.215039 3.122685 0.000000 3.255271 2.163986 1.085445 2.227226 3.254185 2.613499 0.000000 3.266875 3.267833 2.230514 1.085194 2.170606 4.264868 2.781316 0.000000 2.032632 3.090500 3.186317 2.180336 1.018509 4.025095 4.240042 2.635821 0.000000 2.307985 2.928258 4.200470 4.463212 3.471725 2.823743 5.037863 5.476361 3.770863 0.000000 3.672150 3.756817 5.084681 5.706765 4.953356 3.157668 5.669995 6.768304 5.410347 1.728543 0.000000 3.829268 3.750481 4.946375 5.619778 5.013066 3.175765 5.444073 6.642661 5.532813 2.133392 1.089954 0.000000 4.605869 4.989342 6.330542 6.768550 5.810911 4.510721 7.014716 7.801362 6.052893 2.344549 1.463008 2.187738 0.000000 3.594418 3.364875 4.685700 5.504722 4.930088 2.543010 5.139919 6.589368 5.537144 2.411258 1.449475 2.151305 2.576257 0.000000 5.017974 5.541779 6.902660 7.252211 6.191270 5.110979 7.644005 8.274464 6.326491 2.911082 2.394739 3.312368 1.209956 3.059930 0.000000 5.369896 5.764428 7.024379 7.410032 6.467993 5.342178 7.692126 8.394677 6.653979 3.090867 2.313638 2.454700 1.349142 3.662818 2.241496 0.000000 3.365277 2.696394 3.863444 4.891491 4.614796 1.697879 4.131466 5.951298 5.396064 2.960136 2.360464 2.622447 3.701562 1.229755 4.266483 4.653485 0.000000 4.405016 4.323180 5.630243 6.377076 5.712195 3.567744 6.100593 7.448377 6.220533 3.213750 2.349047 3.282502 2.844744 1.329669 2.805890 4.110950 2.231312 0.000000 6.447980 7.003467 8.263598 8.523073 7.465881 6.648061 8.995329 9.472715 7.499005 4.168165 3.622009 3.864536 2.341092 4.885445 2.622155 1.413373 5.961512 5.083623 0.000000 4.780457 4.538210 5.683145 6.485345 5.981736 3.807988 6.037151 7.505717 6.548341 4.212353 3.637979 4.482552 4.237388 2.340654 4.063869 5.521914 2.627491 1.416713 6.468498 0.000000 7.089125 7.610500 8.803881 9.048104 8.038680 7.278957 9.505187 9.958489 8.062767 4.866680 4.328118 4.321464 3.236243 5.674176 3.692309 2.018055 6.662980 6.012626 1.096317 7.418940 0.000000 7.112433 7.605294 8.919212 9.259024 8.208009 7.149708 9.615241 10.245961 8.275059 4.812354 4.024672 4.416220 2.657452 5.091789 2.624428 2.081324 6.241664 5.041798 1.100132 6.380178 1.799466 0.000000 6.256152 7.001936 8.238292 8.334323 7.168225 6.782616 9.065876 9.239209 7.061768 4.080687 3.967347 4.331891 2.650536 5.191932 2.623026 2.080809 6.278004 5.322606 1.100614 6.640843 1.800296 1.781549 0.000000 4.144625 3.996272 5.057153 5.736240 5.229954 3.463958 5.488015 6.711836 5.766095 4.031409 3.922818 4.755958 4.587440 2.681956 4.382660 5.901376 2.776354 2.062015 6.852252 1.101183 7.817022 6.887468 6.875328 0.000000 5.704898 5.578441 6.723854 7.459846 6.881172 4.887420 7.097928 8.464270 7.362199 4.986090 4.360671 5.287818 4.660041 3.222944 4.238087 5.949624 3.682772 2.016129 6.715477 1.095627 7.715730 6.463507 6.860744 1.798226 0.000000 5.167884 4.639050 5.660555 6.640593 6.349097 3.787917 5.817528 7.643413 7.040332 4.784379 4.042068 4.694909 4.861275 2.625516 4.884931 6.051085 2.497744 2.085430 7.108732 1.098534 7.985284 7.026705 7.401040 1.798247 1.802679 0.000000 1.627691 2.717504 3.836741 3.788324 2.592302 2.987167 4.819853 4.737711 2.720044 1.347449 2.963637 3.438914 3.438682 3.211276 3.638179 4.273146 3.561472 3.759837 5.157040 4.419050 5.905785 5.779831 4.830458 3.908762 5.155839 5.090806 0.000000 3.615653 4.700848 5.683986 5.416702 4.163516 4.937005 6.666587 6.192131 3.882497 3.341107 4.544104 5.348545 4.415010 4.586591 3.905565 5.396721 5.182418 4.428340 5.812352 4.790697 6.734476 6.185707 5.179260 4.147596 5.093648 5.754459 2.370143 0.000000 3.728062 4.990396 5.910557 5.455685 4.085753 5.350546 6.964002 6.156061 3.576114 3.229218 4.658748 5.262771 4.379077 5.129367 4.066449 5.022688 5.761184 5.251046 5.299019 5.902702 6.065599 5.881790 4.522691 5.366544 6.298866 6.814156 2.380307 1.534795 0.000000 3.763424 4.838029 5.611845 5.191385 4.022647 5.222466 6.588476 5.839407 3.658756 4.110110 5.410855 6.165227 5.445341 5.286794 4.976149 6.441996 5.691714 5.139968 6.902837 5.253072 7.804818 7.291896 6.257492 4.430234 5.566575 6.159718 2.925298 1.106792 2.163925 0.000000 4.618437 5.613982 6.663485 6.476745 5.247946 5.716302 7.606116 7.265678 4.981194 4.020465 4.928942 5.847854 4.547344 4.941292 3.767138 5.561892 5.687984 4.503578 5.785834 4.832864 6.774592 5.984573 5.118306 4.309995 4.897528 5.883834 3.287969 1.100417 2.201069 1.775283 0.000000 4.464828 5.777434 6.539163 5.885299 4.531982 6.255220 7.615058 6.431117 3.815604 4.271699 5.750406 6.311182 5.438652 6.213829 5.083011 5.994898 6.794861 6.311880 6.140692 6.880709 6.842962 6.735739 5.263486 6.269595 7.233353 7.803882 3.332402 2.202656 1.104181 2.398829 2.719583 0.000000 4.402344 5.585960 6.627863 6.294817 4.933372 5.796975 7.652893 7.051597 4.498269 3.291042 4.454175 5.079197 3.847206 5.138189 3.447965 4.342220 5.954593 5.198815 4.392364 6.041589 5.160079 4.950504 3.526750 5.691203 6.350777 6.984661 2.873505 2.177755 1.109092 3.055613 2.421507 1.786356 0.000000 2.544496 3.845623 4.681663 4.204685 2.838853 4.336144 5.745447 4.931877 2.410932 2.441771 4.123389 4.491982 4.237252 4.637557 4.321017 4.796925 5.047002 5.111688 5.383740 5.802607 6.032359 6.125297 4.798172 5.246538 6.429204 6.549046 1.506735 2.330871 1.457337 2.771805 3.295153 2.137767 2.142714 0.000000 3.021420 4.245056 5.005784 4.487833 3.198729 4.743625 6.046838 5.146979 2.737136 2.683880 4.302526 4.470183 4.352882 5.066787 4.607800 4.625726 5.481171 5.685775 5.154593 6.521664 5.641466 6.025061 4.568554 6.059565 7.181096 7.217383 2.178957 3.258581 2.086214 3.743029 4.129936 2.575892 2.425131 1.014352 0.000000 2.676425 3.529535 4.678349 4.722408 3.605981 3.587092 5.582361 5.654205 3.689102 2.290110 3.346414 4.165083 3.569376 3.190912 3.303265 4.695584 3.723869 3.173433 5.421966 3.585473 6.349702 5.793268 5.046332 2.982754 4.105310 4.464887 1.506318 1.460039 2.398416 2.115376 2.131597 3.345708 2.863593 2.408872 3.304173 0.000000 3.368608 4.015472 5.285236 5.514699 4.460168 3.814482 6.103335 6.501064 4.618171 2.320250 2.851149 3.829118 2.879002 2.681640 2.453194 4.122604 3.485568 2.400478 4.816782 3.013565 5.811950 5.042784 4.544753 2.690873 3.417848 3.977858 2.121093 2.048668 2.934521 2.893474 2.259818 3.951498 3.041355 3.107513 3.866183 1.016959 0.000000 C10H18BN4O4(2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 250.94240000000002 AuxInfo=1/0/N:3,4,28,29,1,27,2,5,36,34;19,20,11,13,14,15,17,16,18/E:(1,2)(3,4)(7,8)(9,10);(1,2)(4,5)(6,7)(8,9)/CRV:1.3,2.3,5.3,6.4;3.3,4.3,5.3,6.1,7.1/rA:37nC3NC3C3NHHHHHC3HC3C3O1OO1OCCHHHHHHB4CCHHHHNHNH/rB:s1;s2;s3;s1s4;s2;s3;s4;s5;;;s11;s11;s11;s13;s13;s14;s14;s16;s18;s19;s19;s19;s20;s20;s20;s1s10;;s28;s28;s28;s29;s29;s27s29;s34;s27s28;s36;/rC:2.1013,.2593,-.4083;2.4294,-.9896,-.753;3.7607,-1.062,-1.0954;4.2699,.1951,-.9644;3.2209,.9817,-.5433;1.723,-1.7523,-.7245;4.2358,-1.9882,-1.4033;5.2703,.5796,-1.1347;3.1851,1.9771,-.3306;-.1845,.3297,-.719;-1.3211,-.9488,-.9672;-1.0975,-1.089,-2.0247;-2.483,-.125,-.6329;-.7303,-1.9301,-.079;-2.8387,.2181,.4715;-3.0972,.3085,-1.7532;.2815,-2.5711,-.3576;-1.3258,-2.0591,1.1028;-4.1722,1.2052,-1.559;-.616,-2.7668,2.104;-4.5467,1.4593,-2.5576;-4.9729,.743,-.9628;-3.8398,2.1157,-1.0375;.2775,-2.1915,2.3926;-1.298,-2.849,2.9576;-.3165,-3.764,1.7538;.7072,.9366,.0886;.2195,1.95,2.1749;.0605,3.0055,1.0721;1.1664,2.1365,2.7167;-.5921,1.9972,2.9166;.4385,3.9946,1.3854;-1.0117,3.1221,.8138;.8384,2.4337,-.0196;.6649,2.8677,-.9198;.2691,.6552,1.5021;-.6368,.1959,1.5528; 0.4610290 0.2790504 0.2334233 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 948 948 948 948 948 MxSgAt= 37 MxSgA2= 37. 1 open 1 1 1 -936.247777185100 -936.366817049887 -0.119039864787 -936.735145060785 -0.368328010898 -936.736028731014 -0.000883670229 -936.736089801851 -0.000061070837 -936.736104782683 -0.000014980832 -936.736105582437 -0.000000799754 -936.736105875552 -0.000000293115 -936.736105908880 -0.000000033328 -936.736105917958 -0.000000009078 -936.736105921020 -0.000000003062 -936.736105921875 -0.000000000855 -936.736105922112 -0.000000000237 -936.736105922133 -0.000000000021 -936.736105922195 -0.000000000062 -936.736105922 15 0.7560 9.321770906066e+02 -5.269933657446e+03 1.861330247697e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3145728000 LenX= 3143887274 LenY= 3142976204 Requested convergence on RMS density matrix=1.00D-08 within 32 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 0.7560 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 C N C C N H H H H H C H C C O O O O C C H H H H H H B C C H H H H N H N H 13 14 13 13 14 1 1 1 1 1 13 1 13 13 17 17 17 17 13 13 1 1 1 1 1 1 11 13 13 1 1 1 1 14 1 14 1 0.04198 -0.00063 -0.00010 0.00123 0.00172 0.00016 0.00000 0.00032 0.00004 0.05547 0.09803 -0.00690 -0.02161 -0.02049 0.00593 -0.00038 0.00642 0.00514 -0.00074 -0.00128 0.00000 0.00054 0.00055 0.00135 -0.00003 0.00073 0.02535 -0.00129 -0.00108 0.00103 -0.00009 0.00139 0.00086 0.00210 0.00163 0.00120 0.00322 47.19887 -0.20460 -0.11740 1.38268 0.55627 0.71947 0.00403 1.43569 0.19495 247.95188 110.20295 -30.84644 -24.29349 -23.03400 -3.59486 0.23147 -3.89385 -3.11758 -0.83093 -1.43811 0.01625 2.41280 2.45812 6.01488 -0.12076 3.25484 36.35706 -1.44623 -1.21366 4.61718 -0.40687 6.19785 3.83780 0.67811 7.29892 0.38829 14.37213 16.84173 -0.07301 -0.04189 0.49337 0.19849 0.25673 0.00144 0.51229 0.06956 88.47540 39.32315 -11.00678 -8.66852 -8.21910 -1.28273 0.08259 -1.38942 -1.11243 -0.29649 -0.51315 0.00580 0.86095 0.87712 2.14626 -0.04309 1.16141 12.97310 -0.51605 -0.43306 1.64752 -0.14518 2.21155 1.36942 0.24197 2.60444 0.13855 5.12833 15.74385 -0.06825 -0.03916 0.46121 0.18555 0.23999 0.00134 0.47889 0.06503 82.70784 36.75975 -10.28927 -8.10343 -7.68331 -1.19912 0.07721 -1.29885 -1.03991 -0.27717 -0.47970 0.00542 0.80482 0.81994 2.00635 -0.04028 1.08570 12.12741 -0.48241 -0.40483 1.54013 -0.13572 2.06738 1.28015 0.22619 2.43466 0.12952 4.79403 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 0.016076 0.001517 0.000564 0.000972 -0.006495 0.005045 0.001073 0.001589 0.002805 0.015269 0.112847 -0.020091 0.009947 -0.007373 0.075943 -0.002446 -0.041808 -0.025743 0.001024 -0.001179 0.000912 0.002513 0.000889 -0.001255 -0.001542 -0.001551 0.027673 -0.003832 -0.003412 -0.001526 -0.001383 -0.001746 -0.000639 0.103249 -0.006856 0.015500 -0.000656 -0.012119 -0.010009 -0.001974 -0.002402 -0.001752 0.000198 -0.000201 -0.000830 0.000295 0.001367 0.144399 -0.016914 -0.001922 0.027551 0.039753 0.037513 0.127024 0.058523 0.000714 -0.001187 -0.000344 -0.001200 0.000627 -0.000385 -0.000502 0.001451 -0.043393 0.000769 0.005005 -0.000367 -0.000533 0.002031 0.002503 -0.041034 0.003454 -0.036868 -0.002502 -0.003957 0.008492 0.001411 0.001430 0.008247 -0.005243 -0.000872 -0.000759 -0.003100 -0.016635 -0.257246 0.037005 -0.008025 -0.020179 -0.115696 -0.035067 -0.085217 -0.032780 -0.001737 0.002366 -0.000568 -0.001312 -0.001516 0.001640 0.002044 0.000100 0.015720 0.003063 -0.001593 0.001892 0.001916 -0.000285 -0.001864 -0.062215 0.003401 0.021368 0.003158 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 -0.016536 0.001047 -0.000944 -0.000135 0.009274 -0.000875 -0.000978 0.000282 0.001896 0.047399 0.412559 0.013391 -0.001419 0.024826 0.175862 0.036593 0.126016 0.077360 -0.001448 0.000884 -0.001262 -0.001412 -0.002191 0.000056 0.000384 -0.000939 0.067560 0.000850 -0.001046 0.000861 -0.000386 -0.000127 -0.002129 0.094937 0.003562 -0.045365 0.008553 -0.038945 0.007981 0.000380 -0.002554 -0.014474 -0.002206 -0.000538 -0.000394 -0.001010 0.033945 0.100873 -0.006677 -0.002994 0.013349 -0.003164 0.002618 0.043882 0.040310 0.001335 0.002767 0.001335 0.000414 0.000710 0.001459 -0.000320 0.000368 0.106383 0.000107 -0.001578 0.001361 -0.000943 -0.000037 -0.001086 0.070405 -0.000864 0.084115 -0.003899 0.018019 0.006740 0.000919 0.000536 -0.020449 -0.000295 0.000310 0.000155 0.000357 0.025820 0.103872 0.016058 0.003499 0.007641 0.000810 -0.003315 0.085053 0.057660 -0.000731 -0.001474 -0.000746 -0.000124 -0.000405 -0.002212 -0.001972 -0.002577 0.062450 0.004818 0.000795 0.002270 0.002407 0.002619 0.002040 0.034795 -0.009820 -0.043261 -0.001101 0.5337 -0.2486 0.8083 0.4204 0.9073 0.0015 0.7338 -0.339 -0.5887 -0.0352 -0.0198 0.055 -4.725 -2.65 7.375 -1.686 -0.946 2.632 -1.576 -0.884 2.46 1 C 13 0.1305 0.9279 -0.3492 0.8557 -0.2833 -0.4331 0.5008 0.2423 0.831 -0.0124 -0.0029 0.0153 -0.478 -0.111 0.589 -0.171 -0.039 0.21 -0.16 -0.037 0.196 2 N 14 0.3098 0.919 -0.2437 0.9374 -0.3381 -0.0836 0.1592 0.2026 0.9662 -0.0025 9.0E-4 0.0017 -0.34 0.117 0.224 -0.121 0.042 0.08 -0.114 0.039 0.075 3 C 13 -0.1145 0.9716 -0.207 0.7336 0.2232 0.6419 -0.6698 0.0784 0.7384 -0.0025 -0.0013 0.0038 -0.335 -0.175 0.51 -0.12 -0.062 0.182 -0.112 -0.058 0.17 4 C 13 0.3105 0.6643 0.6799 0.8589 -0.5025 0.0987 -0.4073 -0.5533 0.7266 -0.0183 -0.0136 0.0319 -0.708 -0.524 1.231 -0.252 -0.187 0.439 -0.236 -0.175 0.411 5 N 14 0.206 0.0789 0.9754 0.1273 0.9861 -0.1066 0.9702 -0.1461 -0.1931 -0.0057 1.0E-4 0.0056 -3.059 0.062 2.997 -1.091 0.022 1.069 -1.02 0.021 1.0 6 H 1 0.1758 -0.1579 0.9717 0.4883 0.871 0.0532 0.8548 -0.4652 -0.2302 -0.001 -7.0E-4 0.0018 -0.544 -0.39 0.934 -0.194 -0.139 0.333 -0.182 -0.13 0.312 7 H 1 -0.1772 0.7323 -0.6575 0.0449 0.6734 0.7379 0.9831 0.1012 -0.1522 -0.001 -6.0E-4 0.0017 -0.554 -0.342 0.896 -0.198 -0.122 0.32 -0.185 -0.114 0.299 8 H 1 0.2174 -0.2035 0.9546 -0.413 0.867 0.2789 0.8844 0.4549 -0.1045 -0.0034 -5.0E-4 0.0039 -1.817 -0.263 2.08 -0.648 -0.094 0.742 -0.606 -0.088 0.694 9 H 1 0.7202 -0.5494 -0.4236 0.0186 -0.5951 0.8034 0.6935 0.5865 0.4184 -0.0409 -0.035 0.0758 -21.799 -18.661 40.46 -7.779 -6.659 14.437 -7.271 -6.225 13.496 10 H 1 0.7188 -0.6112 -0.3314 0.1294 -0.3508 0.9275 0.6831 0.7095 0.173 -0.2845 -0.2825 0.5669 -38.173 -37.903 76.075 -13.621 -13.525 27.146 -12.733 -12.643 25.376 11 C 13 0.6931 -0.6877 0.2162 0.7192 0.6802 -0.142 -0.0495 0.2539 0.966 -0.0355 -0.0061 0.0416 -18.92 -3.258 22.179 -6.751 -1.163 7.914 -6.311 -1.087 7.398 12 H 1 0.111 -0.3843 0.9165 0.2171 0.9093 0.355 0.9698 -0.1595 -0.1844 -0.0099 -9.0E-4 0.0107 -1.322 -0.12 1.442 -0.472 -0.043 0.515 -0.441 -0.04 0.481 13 C 13 -0.6409 0.1779 0.7467 0.6032 -0.4849 0.6333 0.4747 0.8563 0.2034 -0.0298 -0.0133 0.0431 -4.001 -1.787 5.788 -1.428 -0.637 2.065 -1.335 -0.596 1.931 14 C 13 -0.5842 0.6437 -0.4944 -0.3279 0.37 0.8692 0.7424 0.6699 -0.0052 -0.1205 -0.1142 0.2346 8.719 8.26 -16.979 3.111 2.948 -6.059 2.908 2.755 -5.664 15 O 17 -0.2566 0.1698 0.9515 0.8213 -0.4807 0.3073 0.5096 0.8603 -0.0161 -0.0364 -0.0229 0.0593 2.631 1.656 -4.287 0.939 0.591 -1.53 0.878 0.552 -1.43 16 O 17 0.0464 -0.3525 0.9347 0.8924 -0.4057 -0.1973 0.4488 0.8433 0.2957 -0.1151 -0.1088 0.2239 8.329 7.873 -16.202 2.972 2.809 -5.781 2.778 2.626 -5.404 17 O 17 0.8651 -0.349 -0.3601 0.1481 -0.5082 0.8484 0.4791 0.7873 0.388 -0.0737 -0.0603 0.134 5.335 4.362 -9.697 1.904 1.556 -3.46 1.78 1.455 -3.235 18 O 17 -0.3515 0.0581 0.9344 0.589 0.7895 0.1725 0.7277 -0.611 0.3117 -0.0023 -5.0E-4 0.0028 -0.307 -0.071 0.377 -0.109 -0.025 0.135 -0.102 -0.024 0.126 19 C 13 0.7103 -0.5338 -0.4589 0.5508 0.8274 -0.1098 0.4383 -0.1747 0.8817 -0.0036 -4.0E-4 0.004 -0.487 -0.054 0.541 -0.174 -0.019 0.193 -0.163 -0.018 0.181 20 C 13 -0.5046 0.0074 0.8633 0.4029 0.8864 0.2278 0.7636 -0.4628 0.4502 -0.0014 -0.0011 0.0025 -0.723 -0.592 1.315 -0.258 -0.211 0.469 -0.241 -0.198 0.439 21 H 1 0.3231 0.9452 -0.0465 -0.0788 0.0758 0.994 0.9431 -0.3175 0.099 -0.0017 -0.0014 0.003 -0.895 -0.723 1.617 -0.319 -0.258 0.577 -0.298 -0.241 0.54 22 H 1 -0.4493 -0.2675 0.8524 0.5259 0.6921 0.4944 0.7222 -0.6704 0.1702 -0.0018 -0.0013 0.0031 -0.941 -0.708 1.649 -0.336 -0.253 0.588 -0.314 -0.236 0.55 23 H 1 0.6371 -0.5643 -0.525 0.7267 0.6668 0.1653 0.2568 -0.4869 0.8349 -0.0025 -9.0E-4 0.0034 -1.338 -0.465 1.803 -0.477 -0.166 0.643 -0.446 -0.155 0.601 24 H 1 0.7146 -0.6439 -0.2733 0.6926 0.5963 0.4059 -0.0984 -0.4793 0.8721 -0.0018 -0.0014 0.0032 -0.942 -0.747 1.688 -0.336 -0.266 0.602 -0.314 -0.249 0.563 25 H 1 0.595 0.5692 0.5674 0.7823 -0.248 -0.5714 -0.1846 0.7839 -0.5929 -0.0021 -0.0015 0.0036 -1.12 -0.812 1.932 -0.4 -0.29 0.689 -0.374 -0.271 0.644 26 H 1 0.7434 -0.4038 -0.5332 0.0414 0.8234 -0.5659 0.6675 0.3987 0.6289 -0.0853 -0.0829 0.1682 -14.608 -14.197 28.805 -5.212 -5.066 10.278 -4.873 -4.736 9.608 27 B 11 0.8843 -0.3947 0.2495 0.4635 0.6767 -0.5721 0.057 0.6215 0.7813 -0.0042 -0.0027 0.0069 -0.561 -0.365 0.926 -0.2 -0.13 0.331 -0.187 -0.122 0.309 28 C 13 0.8736 0.0566 0.4833 -0.4647 -0.1976 0.8632 -0.1443 0.9786 0.1463 -0.0044 -9.0E-4 0.0053 -0.584 -0.124 0.708 -0.208 -0.044 0.253 -0.195 -0.041 0.236 29 C 13 0.9552 -0.2049 -0.2136 0.0588 0.8387 -0.5414 0.2901 0.5046 0.8132 -0.002 -0.0018 0.0038 -1.075 -0.945 2.02 -0.384 -0.337 0.721 -0.359 -0.315 0.674 30 H 1 -0.3134 0.7779 -0.5447 0.9287 0.3708 -0.0049 -0.1982 0.5074 0.8386 -0.0021 -0.0015 0.0036 -1.101 -0.817 1.918 -0.393 -0.292 0.684 -0.367 -0.273 0.64 31 H 1 -0.1509 -0.5422 0.8266 0.9883 -0.0633 0.139 -0.0231 0.8379 0.5454 -0.002 -0.0017 0.0037 -1.065 -0.93 1.995 -0.38 -0.332 0.712 -0.355 -0.31 0.666 32 H 1 0.1968 -0.2863 0.9377 0.8833 0.4669 -0.0428 -0.4256 0.8367 0.3448 -0.0027 -0.0017 0.0044 -1.448 -0.913 2.362 -0.517 -0.326 0.843 -0.483 -0.305 0.788 33 H 1 -0.5217 0.609 0.5974 0.0616 -0.6716 0.7384 0.8509 0.422 0.3128 -0.0882 -0.088 0.1762 -3.402 -3.394 6.796 -1.214 -1.211 2.425 -1.135 -1.132 2.267 34 N 14 0.7801 -0.5133 -0.3578 0.607 0.4822 0.6317 0.1517 0.7099 -0.6877 -0.0088 -0.0049 0.0137 -4.697 -2.628 7.325 -1.676 -0.938 2.614 -1.567 -0.877 2.443 35 H 1 0.7569 0.3566 -0.5476 -0.0424 0.863 0.5034 0.6521 -0.3578 0.6683 -0.0667 -0.0599 0.1266 -2.573 -2.309 4.883 -0.918 -0.824 1.742 -0.858 -0.77 1.629 36 N 14 PT15662.300S 2024-09-23T17:22:05.000 -19.28737 -19.28070 -19.22732 -19.21368 -14.51422 -14.50272 -14.38974 -14.36976 -10.41083 -10.39752 -10.35788 -10.34956 -10.34773 -10.32623 -10.32581 -10.30041 -10.28515 -10.28183 -6.81821 -1.20945 -1.19651 -1.16620 -1.11177 -1.10186 -1.02630 -0.99053 -0.91028 -0.88833 -0.88242 -0.82396 -0.78275 -0.77581 -0.76236 -0.73948 -0.68299 -0.67512 -0.66108 -0.64380 -0.61237 -0.60611 -0.60278 -0.58562 -0.57327 -0.56971 -0.56108 -0.55807 -0.55522 -0.55457 -0.54424 -0.53311 -0.53197 -0.50086 -0.49323 -0.48820 -0.48570 -0.46406 -0.44722 -0.44307 -0.43574 -0.43030 -0.42356 -0.41785 -0.41562 -0.40116 -0.38550 -0.37751 -0.36916 -0.34753 -0.34486 -0.32191 -0.28524 -0.24438 0.06886 0.07362 0.07584 0.10027 0.11826 0.13406 0.13690 0.13992 0.14996 0.15046 0.15524 0.16014 0.16831 0.17724 0.17972 0.18224 0.18626 0.19782 0.19952 0.20380 0.20944 0.21386 0.22297 0.22703 0.23312 0.24081 0.24889 0.25288 0.25899 0.26082 0.26862 0.27253 0.27902 0.28581 0.29577 0.29865 0.30213 0.30687 0.30819 0.32182 0.32594 0.32778 0.32939 0.33810 0.34658 0.35090 0.35813 0.36583 0.37178 0.38001 0.38717 0.38980 0.39806 0.40009 0.40645 0.41665 0.42041 0.42512 0.43311 0.43526 0.44385 0.45170 0.45411 0.46203 0.46432 0.46955 0.47280 0.47514 0.48294 0.48604 0.48749 0.49274 0.49711 0.50226 0.50529 0.50915 0.51321 0.51945 0.52027 0.52308 0.52784 0.53040 0.53151 0.53541 0.53901 0.54580 0.54876 0.55877 0.56504 0.57249 0.57648 0.57852 0.58167 0.58740 0.59756 0.60021 0.61246 0.61890 0.62199 0.62552 0.62824 0.64381 0.64986 0.65669 0.66060 0.66774 0.67327 0.68222 0.68736 0.69443 0.69940 0.70281 0.70999 0.72264 0.73161 0.73776 0.73931 0.74561 0.75279 0.75444 0.76567 0.76809 0.77424 0.78370 0.79296 0.79531 0.80770 0.81239 0.81732 0.82929 0.83223 0.84580 0.85743 0.86919 0.87704 0.88472 0.89082 0.89996 0.90611 0.91234 0.91703 0.92219 0.93751 0.94582 0.94895 0.95428 0.95842 0.95974 0.97270 0.97609 0.98359 0.98912 0.99680 1.00461 1.00844 1.01614 1.02664 1.03206 1.03604 1.04741 1.04976 1.05616 1.06963 1.07396 1.08629 1.09085 1.09721 1.09870 1.10509 1.10981 1.11432 1.12165 1.12681 1.13538 1.14464 1.14643 1.15413 1.15717 1.16671 1.17249 1.17526 1.18197 1.18908 1.20381 1.20688 1.21373 1.21975 1.22342 1.22917 1.23914 1.24834 1.25123 1.25333 1.26421 1.27570 1.28933 1.29530 1.30800 1.31741 1.32565 1.33997 1.34464 1.35022 1.35271 1.36446 1.37037 1.37348 1.38630 1.39343 1.40082 1.40584 1.41055 1.41329 1.41874 1.43147 1.43294 1.44160 1.44390 1.45967 1.46502 1.47431 1.47668 1.48132 1.49364 1.49758 1.50471 1.50853 1.51454 1.52116 1.52918 1.53868 1.54413 1.54902 1.55963 1.56119 1.57037 1.57410 1.58170 1.58593 1.59587 1.60255 1.61212 1.61701 1.62352 1.62912 1.63936 1.64608 1.65096 1.66240 1.67028 1.68605 1.69808 1.70007 1.70853 1.71658 1.73495 1.74131 1.74465 1.75860 1.76776 1.77216 1.77996 1.78808 1.79687 1.80225 1.80989 1.82113 1.82247 1.84182 1.84944 1.86824 1.87512 1.87706 1.89451 1.89900 1.90323 1.90747 1.92734 1.93596 1.94317 1.96431 1.97040 1.97851 1.99006 1.99894 2.01084 2.01721 2.04143 2.05154 2.07144 2.07513 2.09088 2.09242 2.10699 2.11554 2.12224 2.13437 2.15596 2.16297 2.18030 2.19132 2.20209 2.21244 2.22740 2.24007 2.25584 2.25735 2.27764 2.29151 2.29774 2.30353 2.31542 2.32596 2.33180 2.34742 2.36515 2.39002 2.39357 2.40146 2.41352 2.41842 2.42936 2.44856 2.45302 2.46070 2.47509 2.47823 2.49121 2.49580 2.52019 2.52650 2.54771 2.56167 2.56617 2.57098 2.57859 2.59459 2.61230 2.62348 2.62575 2.64279 2.64440 2.65620 2.66120 2.66521 2.67623 2.68454 2.70813 2.71202 2.72779 2.74335 2.75572 2.76451 2.76731 2.77912 2.78831 2.79298 2.80638 2.81292 2.81929 2.82743 2.83284 2.84925 2.86246 2.87181 2.87549 2.88387 2.88935 2.89839 2.90130 2.91982 2.92479 2.93278 2.94619 2.95542 2.96445 2.97271 2.98051 2.98399 2.98826 2.99787 3.00366 3.01115 3.02573 3.03048 3.03508 3.03784 3.04288 3.04378 3.05044 3.05743 3.06451 3.07163 3.07438 3.08109 3.08279 3.09492 3.10544 3.11038 3.11461 3.12386 3.12750 3.13959 3.15353 3.15984 3.16650 3.17757 3.18196 3.19329 3.19658 3.20308 3.20365 3.21376 3.21609 3.22377 3.22691 3.23099 3.23663 3.24615 3.25517 3.26539 3.27212 3.27685 3.28843 3.29540 3.30146 3.31611 3.31841 3.33035 3.33613 3.34690 3.35169 3.36045 3.36776 3.36887 3.37858 3.38775 3.39706 3.40269 3.40978 3.41468 3.41950 3.42898 3.45169 3.45458 3.45694 3.46326 3.47329 3.48432 3.49024 3.49916 3.50616 3.51181 3.51508 3.52279 3.52654 3.53244 3.53785 3.55771 3.55966 3.57264 3.57468 3.57892 3.58903 3.59567 3.60465 3.61075 3.62056 3.62269 3.63528 3.64324 3.64339 3.64758 3.65583 3.66346 3.67371 3.68505 3.69557 3.70082 3.70635 3.72595 3.72901 3.73756 3.74729 3.75168 3.75500 3.75928 3.76242 3.77213 3.77542 3.79519 3.80316 3.81515 3.82664 3.83526 3.84009 3.85470 3.86335 3.86687 3.87169 3.88222 3.88653 3.88952 3.90114 3.90500 3.91369 3.92135 3.92812 3.93959 3.94456 3.95247 3.96013 3.96482 3.97255 3.98088 3.99200 4.00539 4.01040 4.01582 4.02487 4.02673 4.04560 4.05474 4.05675 4.07511 4.08049 4.08817 4.09885 4.10067 4.10919 4.11571 4.13043 4.13684 4.15475 4.16465 4.16635 4.17803 4.18200 4.19570 4.20265 4.20995 4.21545 4.22252 4.23441 4.23542 4.24088 4.26096 4.26475 4.27336 4.28036 4.28909 4.29387 4.29745 4.31031 4.32426 4.32574 4.33161 4.34239 4.34853 4.36140 4.36818 4.38963 4.39232 4.40617 4.41527 4.42157 4.43183 4.43830 4.44290 4.45098 4.46228 4.48263 4.48936 4.50296 4.50842 4.51788 4.53156 4.55950 4.57303 4.57725 4.58795 4.59146 4.61150 4.61746 4.62174 4.62557 4.64557 4.66599 4.66984 4.68352 4.68448 4.70424 4.71805 4.72818 4.74321 4.76086 4.77071 4.77357 4.79006 4.79317 4.80625 4.81145 4.83774 4.84335 4.85040 4.85736 4.87830 4.88396 4.90695 4.91611 4.92717 4.94096 4.95226 4.96013 4.96834 4.98123 5.01442 5.02372 5.03161 5.03569 5.04473 5.05394 5.06225 5.06410 5.07380 5.08424 5.09338 5.11548 5.12242 5.13719 5.15131 5.15943 5.17080 5.17518 5.17827 5.19627 5.19884 5.20495 5.22078 5.22861 5.24761 5.25139 5.27264 5.28492 5.29253 5.30148 5.30628 5.31299 5.32679 5.33824 5.34336 5.34737 5.35237 5.35501 5.37236 5.37425 5.38957 5.40611 5.41910 5.42701 5.44863 5.45440 5.46507 5.47457 5.49897 5.50399 5.52032 5.52828 5.54190 5.55376 5.56008 5.56470 5.57933 5.58795 5.59910 5.61847 5.62092 5.62740 5.62985 5.64969 5.66469 5.67836 5.68697 5.69026 5.69898 5.70206 5.71499 5.72202 5.74709 5.75822 5.76877 5.79265 5.80354 5.81162 5.83269 5.84048 5.84342 5.87433 5.90102 5.93719 5.94433 5.94992 5.98238 6.01198 6.04979 6.07388 6.08926 6.10001 6.16102 6.18194 6.23428 6.24605 6.28298 6.28967 6.29874 6.32085 6.36144 6.36496 6.37691 6.46364 6.51500 6.53060 6.55792 6.56906 6.64220 6.65868 6.67940 6.72019 6.73622 6.80027 6.81704 6.84408 6.86152 6.89843 6.95860 6.96764 7.00247 7.04865 7.05900 7.06685 7.12631 7.18832 7.21444 7.27417 7.29414 7.39936 7.49709 7.53514 7.58384 7.61485 15.97857 23.00125 23.19358 23.38196 23.39758 23.50496 23.60432 23.61554 23.64994 23.68942 23.75564 32.87110 32.98631 33.05460 33.07948 44.13364 44.17479 44.38376 44.47117 -19.28660 -19.28038 -19.22610 -19.21238 -14.51402 -14.50264 -14.38856 -14.36894 -10.41084 -10.39789 -10.35724 -10.34954 -10.34771 -10.32625 -10.32582 -10.29396 -10.28518 -10.28185 -6.81617 -1.20754 -1.19541 -1.16567 -1.10927 -1.09957 -1.02584 -0.98807 -0.90753 -0.88764 -0.87073 -0.82314 -0.77826 -0.77254 -0.76183 -0.73907 -0.68078 -0.67215 -0.66003 -0.64212 -0.61020 -0.60400 -0.60119 -0.57721 -0.57038 -0.56811 -0.55906 -0.55730 -0.55364 -0.54853 -0.54300 -0.53116 -0.53043 -0.49669 -0.48971 -0.48519 -0.47925 -0.45981 -0.44435 -0.43806 -0.43420 -0.42929 -0.42230 -0.41446 -0.40348 -0.39395 -0.37904 -0.37233 -0.36675 -0.34489 -0.34126 -0.29490 -0.27600 -0.03148 0.07231 0.07599 0.08566 0.10117 0.11865 0.13431 0.13750 0.14025 0.15041 0.15558 0.15931 0.16165 0.17001 0.17750 0.18044 0.18319 0.18828 0.19796 0.19986 0.20498 0.21081 0.21425 0.22364 0.22854 0.23364 0.24165 0.25011 0.25352 0.25966 0.26272 0.27078 0.27362 0.28008 0.28752 0.29720 0.29891 0.30286 0.30748 0.30875 0.32379 0.32782 0.32819 0.33047 0.33875 0.34979 0.35241 0.35893 0.36820 0.37294 0.38228 0.39000 0.39092 0.39935 0.40213 0.40732 0.41774 0.42492 0.42742 0.43448 0.43704 0.44584 0.45286 0.45475 0.46300 0.46640 0.47233 0.47367 0.47599 0.48366 0.48691 0.48824 0.49355 0.49790 0.50307 0.50789 0.50960 0.51499 0.52014 0.52098 0.52384 0.52843 0.53207 0.53288 0.53661 0.53963 0.54733 0.54998 0.55984 0.56711 0.57347 0.57743 0.57963 0.58258 0.58934 0.59836 0.60125 0.61335 0.62003 0.62384 0.62729 0.62956 0.64504 0.65066 0.65864 0.66233 0.66876 0.67578 0.68326 0.68917 0.69619 0.70144 0.70421 0.71140 0.72365 0.73251 0.73952 0.74031 0.74640 0.75347 0.75537 0.76792 0.76960 0.77507 0.78444 0.79465 0.79657 0.80860 0.81373 0.81786 0.83060 0.83307 0.84643 0.85834 0.86994 0.87779 0.88641 0.89211 0.90106 0.90738 0.91427 0.91776 0.92414 0.93825 0.94713 0.95022 0.95555 0.95946 0.96095 0.97337 0.97717 0.98465 0.99059 0.99762 1.00574 1.00926 1.01817 1.02764 1.03302 1.03695 1.04792 1.05046 1.05758 1.07120 1.07520 1.08733 1.09225 1.09837 1.09980 1.10546 1.11107 1.11485 1.12313 1.12780 1.13577 1.14549 1.14842 1.15532 1.16039 1.16748 1.17334 1.17733 1.18355 1.18979 1.20463 1.20815 1.21458 1.22094 1.22442 1.22975 1.24014 1.24920 1.25222 1.25498 1.26546 1.27630 1.29090 1.29657 1.31012 1.31816 1.32683 1.34138 1.34596 1.35107 1.35442 1.36616 1.37154 1.37469 1.38760 1.39544 1.40234 1.40672 1.41166 1.41463 1.42053 1.43360 1.43442 1.44270 1.44499 1.46052 1.46796 1.47532 1.47853 1.48327 1.49529 1.49936 1.50562 1.51122 1.51607 1.52185 1.53059 1.53998 1.54665 1.55031 1.56135 1.56286 1.57136 1.57516 1.58294 1.58683 1.59709 1.60418 1.61370 1.61887 1.62407 1.63062 1.64014 1.64693 1.65192 1.66354 1.67205 1.68792 1.69896 1.70123 1.70946 1.71896 1.73665 1.74259 1.74570 1.75998 1.76974 1.77395 1.78163 1.78961 1.79815 1.80375 1.81084 1.82203 1.82402 1.84366 1.85059 1.87114 1.87653 1.87816 1.89597 1.90071 1.90459 1.90904 1.92869 1.93732 1.94629 1.96581 1.97252 1.97974 1.99148 2.00220 2.01417 2.01963 2.04415 2.05362 2.07485 2.07745 2.09420 2.09620 2.10878 2.11862 2.12546 2.13753 2.15794 2.16658 2.18313 2.19392 2.20542 2.21581 2.23045 2.24228 2.25903 2.26024 2.28012 2.29325 2.29898 2.30556 2.31679 2.32880 2.33715 2.34995 2.36965 2.39206 2.39686 2.40332 2.41536 2.41958 2.43193 2.45106 2.45570 2.46342 2.47701 2.48095 2.49362 2.49792 2.52351 2.52976 2.55060 2.56620 2.56863 2.57441 2.58118 2.59741 2.61374 2.62729 2.62919 2.64518 2.64620 2.65766 2.66247 2.66680 2.67792 2.68676 2.71080 2.71463 2.73049 2.74529 2.75838 2.76670 2.76831 2.78116 2.78954 2.79431 2.80821 2.81530 2.82090 2.82954 2.83468 2.85136 2.86369 2.87318 2.87754 2.88519 2.89048 2.89938 2.90280 2.92242 2.92698 2.93554 2.94882 2.95800 2.96826 2.97431 2.98145 2.98542 2.98995 2.99969 3.00502 3.01204 3.02711 3.03255 3.03624 3.03862 3.04386 3.04567 3.05178 3.05848 3.06558 3.07337 3.07591 3.08225 3.08404 3.09601 3.10779 3.11166 3.11650 3.12564 3.12916 3.14134 3.15598 3.16172 3.16890 3.17950 3.18335 3.19596 3.19948 3.20433 3.20553 3.21480 3.21706 3.22613 3.22833 3.23228 3.23863 3.24876 3.25729 3.26786 3.27474 3.27770 3.28940 3.29633 3.30365 3.31746 3.32035 3.33169 3.33931 3.34885 3.35397 3.36235 3.36938 3.37092 3.38040 3.38978 3.39978 3.40483 3.41240 3.41687 3.42202 3.43076 3.45386 3.45591 3.45848 3.46490 3.47492 3.48571 3.49209 3.50080 3.50815 3.51343 3.51741 3.52534 3.52881 3.53567 3.54005 3.55892 3.56045 3.57504 3.57643 3.58055 3.59067 3.59854 3.60628 3.61180 3.62185 3.62353 3.63701 3.64469 3.64595 3.64976 3.65793 3.66682 3.67644 3.68655 3.69911 3.70293 3.70773 3.72745 3.73034 3.73941 3.74821 3.75410 3.75650 3.76008 3.76348 3.77299 3.77730 3.79629 3.80558 3.81643 3.82834 3.83662 3.84222 3.85627 3.86392 3.86804 3.87312 3.88395 3.88814 3.89153 3.90199 3.90588 3.91517 3.92284 3.92888 3.94141 3.94631 3.95371 3.96245 3.96717 3.97419 3.98269 3.99362 4.00674 4.01222 4.01707 4.02610 4.02947 4.04861 4.05659 4.05878 4.07616 4.08234 4.09050 4.09988 4.10288 4.11031 4.11749 4.13162 4.13895 4.15739 4.16509 4.16799 4.17933 4.18380 4.19693 4.20365 4.21103 4.21773 4.22327 4.23599 4.23682 4.24250 4.26233 4.26577 4.27467 4.28346 4.29061 4.29547 4.29864 4.31129 4.32566 4.32775 4.33344 4.34377 4.35061 4.36387 4.36947 4.39133 4.39420 4.40669 4.41665 4.42376 4.43524 4.44005 4.44656 4.45199 4.46379 4.48527 4.49285 4.50784 4.51061 4.52134 4.53432 4.56160 4.57397 4.57864 4.59079 4.59273 4.61270 4.61864 4.62331 4.63054 4.64678 4.66709 4.67183 4.68481 4.68709 4.70870 4.72116 4.73183 4.74444 4.76313 4.77277 4.77570 4.79109 4.79394 4.80730 4.81264 4.83928 4.84464 4.85269 4.85881 4.87901 4.88566 4.90808 4.91817 4.92937 4.94263 4.95411 4.96166 4.96951 4.98376 5.01899 5.02573 5.03231 5.03643 5.04592 5.05523 5.06350 5.06516 5.07587 5.08659 5.09532 5.11840 5.12562 5.13949 5.15331 5.16259 5.17233 5.17574 5.17961 5.19814 5.20046 5.20719 5.22238 5.23123 5.24967 5.25316 5.27590 5.28757 5.29419 5.30309 5.30810 5.31495 5.32889 5.33995 5.34517 5.34949 5.35406 5.35929 5.37411 5.37760 5.39101 5.40747 5.42066 5.42891 5.44958 5.45559 5.46663 5.47592 5.50047 5.50477 5.52118 5.52959 5.54313 5.55564 5.56159 5.56680 5.58116 5.59027 5.60125 5.61951 5.62282 5.62885 5.63060 5.65062 5.66540 5.67956 5.68803 5.69111 5.70021 5.70370 5.71659 5.72328 5.74829 5.75922 5.77013 5.79507 5.80428 5.81219 5.83398 5.84211 5.84467 5.87593 5.90233 5.93888 5.94558 5.95136 5.98299 6.01384 6.05105 6.07508 6.09026 6.10095 6.16239 6.18360 6.23580 6.24716 6.28409 6.29102 6.30004 6.32191 6.36390 6.36701 6.37870 6.46487 6.51570 6.53333 6.55985 6.57108 6.64525 6.66118 6.68139 6.72343 6.73823 6.80211 6.81841 6.84554 6.86341 6.90066 6.96074 6.97043 7.00415 7.04945 7.06045 7.06882 7.12809 7.18969 7.21585 7.27656 7.29527 7.40115 7.49810 7.53593 7.58443 7.61583 15.98258 23.00143 23.20267 23.38203 23.39761 23.50499 23.60478 23.61577 23.64999 23.68940 23.75579 32.87202 32.98750 33.05498 33.07962 44.13482 44.17588 44.38418 44.47181 2-A. 4.6810 0.9252 -2.2318 5.2677 -90.5236 -107.0446 -110.9169 -1.2182 -2.8833 -5.4929 12.3047 -4.2162 -8.0885 -1.2182 -2.8833 -5.4929 67.5721 -5.1829 8.6326 0.5026 14.8378 -49.6668 -11.1290 -10.9579 4.7373 11.4477 -3098.8305 -1985.3028 -1099.2003 -26.2064 -32.8057 -0.4807 -68.8125 -4.2934 -43.9856 -858.9141 -794.3982 -468.5808 -20.6981 -20.2866 -9.5345 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-BERON07 GRUFOR 2024-09-23T00:00:00.000 0 coments 0 2 Version=ES64L-G16RevC.02 State=2-A HF=-936.7361059 S2=0.756023 S2-1=0. S2A=0.750026 RMSD=4.149e-09 Dipole=1.9554327,0.247356,-0.6405087 Quadrupole=9.2732674,-2.3520793,-6.9211881,-1.4352674,-0.8031632,-3.8097572 PG=C01 [X(C10H18B1N4O4)] 0 2.1179811347 0.0953300164 -0.1891216855 0 2.3753815211 -1.1529244833 -0.5914465322 0 3.7262592177 -1.3270174342 -0.7907003276 0 4.3227957966 -0.1349630013 -0.5079305965 0 3.3034686631 0.716716168 -0.1445605637 0 1.6075919248 -1.8459415283 -0.6994920986 0 4.1525210228 -2.2709294133 -1.11554073 0 5.365491892 0.1642952071 -0.5375277909 0 3.3288729148 1.6945436853 0.1392839009 0 -0.1019392299 0.401112352 -0.7416100008 0 -1.3075314054 -0.7452855418 -1.2108447441 0 -0.9757158407 -0.8346285669 -2.2452121169 0 -2.4253295208 0.1597734001 -0.9429139728 0 -0.9101272002 -1.8352303798 -0.3418978089 0 -2.875958814 0.4598188876 0.1391672494 0 -2.8660311344 0.7233051633 -2.0867668428 0 0.0684015953 -2.5483439037 -0.5569503576 0 -1.6475541349 -1.9867856718 0.7541189359 0 -3.8753584863 1.7021231624 -1.9425573775 0 -1.1219366064 -2.8236885989 1.7692033191 0 -4.1083402622 2.0567633991 -2.9534291813 0 -4.7764965513 1.2781862046 -1.4750980496 0 -3.5287443329 2.5401916573 -1.3189780156 0 -0.221855541 -2.3556537136 2.1974579198 0 -1.9027939047 -2.8985522741 2.5340932468 0 -0.8705537215 -3.8188373148 1.3777160976 0 0.7389257211 0.8658497467 0.2031562993 0 0.1014033877 1.778157929 2.2957229467 0 0.1625697089 2.9156370159 1.2671340548 0 0.9916660833 1.8380498623 2.9505762159 0 -0.783558386 1.8515775476 2.9456231018 0 0.5851701368 3.8414824116 1.6954267546 0 -0.8585030747 3.1496492428 0.9028090725 0 1.0097730794 2.347863486 0.2261196943 0 0.9797503511 2.855705655 -0.6514367152 0 0.1174025459 0.5325618319 1.5341789565 0 -0.8243383898 0.1580969942 1.4498831021