Gaussian 16 GINC-DEPAZ13 APULGAR Optimization terbinafine CONF32 gas EM64L-G16RevC.01 8-Dec-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 47 47 79 79 634 (5D, 7F) 6-311+G(d,p) 135 135 C1[X(C21H25N)] C1[X(C21H25N)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 266.23139999999984 0 1 AuxInfo=1/0/N:2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;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/rA:47nN0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.8527,-.9177,-.3947;-3.1029,-.3902,.1153;-2.9504,.8676,.929;-2.3716,2.048,.3771;-2.2844,3.2141,1.1833;5.0656,-2.7687,-1.2392;-.8849,-1.2209,.6403;-3.4026,.8874,2.2224;-1.8849,2.1147,-.9505;-2.0783,-2.0331,-1.2826;-2.7644,3.1817,2.5124;-3.3131,2.0425,3.0221;-1.7221,4.3919,.6423;5.2793,-1.6966,-2.3145;5.2247,-4.163,-1.8585;6.0904,-2.5792,-.1138;.4878,-1.3569,.0706;-1.3515,3.2723,-1.4468;-1.265,4.4248,-.6442;3.7143,-2.6393,-.6899;1.2829,-2.4093,.2734;2.5988,-2.5226,-.2481;-3.6464,-1.1346,.7234;-3.7457,-.1835,-.7476;-.8782,-.3894,1.351;-1.1514,-2.1237,1.218;-3.8405,-.0103,2.6427;-1.9107,1.2289,-1.5677;-2.721,-1.7271,-2.1097;-2.5562,-2.894,-.7874;-1.1351,-2.3771,-1.7058;-2.6905,4.0761,3.1189;-3.6796,2.0182,4.0397;-1.6598,5.2743,1.2679;5.1773,-.695,-1.8969;4.5555,-1.8,-3.1229;6.2801,-1.7859,-2.741;5.074,-4.9441,-1.1134;4.5043,-4.3209,-2.6611;6.2272,-4.2792,-2.2748;7.1043,-2.6643,-.5096;5.9886,-1.5979,.3492;5.9657,-3.3324,.6642;.8374,-.5244,-.5307;-.9855,3.3009,-2.4648;-.8361,5.3325,-1.0477;.9213,-3.2433,.8685; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/apulgar/opt-b3lyp-pople.com-4539975/Gau-12300.inp" -scrdir="/temporal/apulgar/opt-b3lyp-pople.com-4539975/" chk=/home/apulgar/almacen/pesticidas/G2-G4/terbinafine/gaussian/gas/CONF32/opt- #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7//1,2,3,16 1/18=20,19=15,26=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 Optimization terbinafine CONF32 gas 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 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/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 R40 R41 R42 R43 R44 R45 R46 R47 R48 1 1 1 2 2 2 3 3 4 4 5 5 6 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 12 13 13 14 14 14 15 15 15 16 16 16 17 17 18 18 19 20 21 21 2 7 10 3 23 24 4 8 5 9 11 13 14 15 16 20 17 25 26 12 27 18 28 29 30 31 12 32 33 19 34 35 36 37 38 39 40 41 42 43 21 44 19 45 46 22 22 47 1.4496 1.4491 1.4433 1.5058 1.1042 1.0957 1.4258 1.3704 1.4203 1.4156 1.4135 1.4129 1.5334 1.534 1.5338 1.4644 1.4924 1.0939 1.1045 1.4078 1.0836 1.3678 1.0799 1.0913 1.1021 1.0895 1.3633 1.0832 1.0818 1.3657 1.0834 1.0899 1.09 1.0917 1.09 1.0899 1.0918 1.0918 1.0898 1.09 1.3345 1.0849 1.4071 1.0821 1.082 1.2054 1.4201 1.0865 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 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 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 2 2 7 1 1 1 3 3 23 2 2 4 3 3 5 4 4 11 14 14 14 15 15 16 1 1 1 17 17 25 3 3 12 4 4 18 1 1 1 29 29 30 5 5 12 8 8 11 5 5 19 6 6 6 35 35 36 6 6 6 38 38 39 6 6 6 41 41 42 7 7 21 9 9 19 13 13 18 17 17 22 1 1 1 2 2 2 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 19 19 19 21 21 21 7 10 10 3 23 24 23 24 24 4 8 8 5 9 9 11 13 13 15 16 20 16 20 20 17 25 26 25 26 26 12 27 27 18 28 28 29 30 31 30 31 31 12 32 32 11 33 33 19 34 34 35 36 37 36 37 37 38 39 40 39 40 40 41 42 43 42 43 43 21 44 44 19 45 45 18 46 46 22 47 47 113.6331 111.2729 112.4653 113.9994 111.8961 107.3125 108.3804 109.1119 105.7914 121.5679 119.2522 119.167 119.0041 122.7884 118.2058 119.6132 119.4374 120.9491 109.7486 109.5771 109.2599 109.8294 109.1152 109.2938 111.1438 108.0067 112.5438 108.1627 110.3141 106.4366 121.8046 119.1749 119.0204 120.9457 119.2837 119.7464 109.975 113.266 110.3429 107.7127 107.6972 107.6505 120.4868 118.9734 120.5398 119.9238 119.6276 120.4485 120.9269 118.7322 120.3409 111.1499 111.179 110.1557 108.0078 108.0992 108.1339 111.1648 111.1296 110.2405 107.947 108.1344 108.1077 110.174 111.1308 111.2172 108.1143 108.1266 107.9612 124.1835 115.9815 119.8293 120.6735 119.71 119.6151 119.8093 120.2772 119.9134 124.0006 119.3613 116.6379 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A82 A83 A84 A85 6 20 6 20 20 22 20 22 22 21 22 21 46 46 46 46 -1 -1 -2 -2 179.398 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 180.9516 179.565 179.7374 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 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 7 7 7 10 10 10 2 2 2 10 10 10 2 2 2 7 7 7 1 1 23 23 24 24 2 2 8 8 2 2 4 4 3 3 9 9 3 3 5 5 4 4 13 13 4 4 11 11 15 15 15 16 16 16 20 20 20 14 14 14 16 16 16 20 20 20 14 14 14 15 15 15 20 20 20 14 14 15 15 16 16 1 1 25 25 26 26 3 3 27 27 4 4 28 28 5 5 32 32 5 5 34 34 7 7 44 44 9 9 45 45 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 9 9 9 9 11 11 11 11 13 13 13 13 17 17 17 17 18 18 18 18 2 2 2 2 2 2 7 7 7 7 7 7 10 10 10 10 10 10 3 3 3 3 3 3 4 4 4 4 8 8 8 8 5 5 5 5 9 9 9 9 11 11 11 11 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 21 21 21 21 21 21 17 17 17 17 17 17 12 12 12 12 18 18 18 18 12 12 12 12 19 19 19 19 21 21 21 21 19 19 19 19 3 23 24 3 23 24 17 25 26 17 25 26 29 30 31 29 30 31 4 8 4 8 4 8 5 9 5 9 12 27 12 27 11 13 11 13 18 28 18 28 12 32 12 32 19 34 19 34 35 36 37 35 36 37 35 36 37 38 39 40 38 39 40 38 39 40 41 42 43 41 42 43 41 42 43 17 47 17 47 17 47 21 44 21 44 21 44 11 33 11 33 19 45 19 45 8 33 8 33 18 46 18 46 22 47 22 47 13 46 13 46 58.1282 -65.3034 179.0709 -173.7038 62.8647 -52.7611 -162.7682 -44.2694 72.9291 69.6794 -171.8217 -54.6232 57.7546 -62.8197 176.4219 -173.4522 65.9734 -54.785 59.2554 -122.0657 -175.4279 3.251 -60.6798 117.9992 178.4521 -1.0702 -0.2279 -179.7503 -178.6268 1.4233 0.0842 -179.8657 0.2977 -179.5083 179.8421 0.0361 179.1883 -2.6048 -0.3377 177.8693 -0.2257 179.8408 179.5773 -0.3562 0.1584 -179.9033 -179.645 0.2934 -179.6486 59.9949 -59.8579 -58.9709 -179.3275 60.8197 60.7475 -59.6091 -179.4619 -179.8194 -59.5631 60.2807 59.6557 179.9119 -60.2443 -60.127 60.1293 179.973 -59.8111 59.9981 -179.6915 60.8175 -179.3733 -59.0629 -179.5087 -59.6995 60.6109 -13.3339 166.0705 -133.1326 46.2717 106.6443 -73.9513 -127.4166 53.4591 114.1785 -64.9457 -1.8608 179.015 -0.008 -179.8823 179.942 0.0677 0.4474 -179.9892 -177.7513 1.812 0.0789 179.9521 -179.9887 -0.1154 -0.0582 -179.9872 -179.9956 0.0754 -178.6555 1.52 0.437 -179.3874 -0.2463 179.6829 -179.8101 0.1191 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 656 A 634 A 992 656 1614.7156671897 47 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 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 NBasis= 634 RedAO= T EigKep= 1.78D-06 NBF= 634 NBsUse= 628 1.00D-06 EigRej= 9.48D-07 NBFU= 628 Berny optimization. local minimum Step number 68 out of a maximum of 254 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00007 0.00251 0.00285 0.00340 0.00362 0.00480 0.00553 0.00650 0.00983 0.01263 0.01557 0.01773 0.01782 0.01884 0.01938 0.02072 0.02082 0.02128 0.02156 0.02178 0.02212 0.02239 0.02258 0.02293 0.02328 0.02371 0.02393 0.02916 0.03469 0.03844 0.04576 0.04635 0.04849 0.05349 0.05513 0.05525 0.05535 0.05575 0.05614 0.05628 0.05704 0.06283 0.06650 0.06681 0.07333 0.07527 0.08573 0.09687 0.09891 0.12578 0.13069 0.13479 0.13569 0.14239 0.15336 0.15623 0.15731 0.15813 0.15884 0.15929 0.15948 0.15972 0.15993 0.16000 0.16007 0.16010 0.16014 0.16028 0.16079 0.16095 0.16144 0.16246 0.16447 0.16877 0.18659 0.19312 0.19681 0.21845 0.21997 0.22086 0.22470 0.22583 0.23292 0.23990 0.24452 0.24836 0.27332 0.28467 0.28716 0.29927 0.30807 0.31817 0.32223 0.33299 0.33403 0.34015 0.34146 0.34420 0.34593 0.34608 0.34650 0.34761 0.34800 0.34810 0.34827 0.34857 0.34910 0.34981 0.35059 0.35216 0.35441 0.35584 0.35600 0.35655 0.35748 0.35779 0.35796 0.36171 0.36956 0.37638 0.38976 0.40231 0.40945 0.41856 0.42460 0.42472 0.43717 0.45232 0.46024 0.49616 0.49815 0.51062 0.52594 0.59366 1.06031 -1.14650298e-07 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 R40 R41 R42 R43 R44 R45 R46 R47 R48 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 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 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 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 2.77285 2.76973 2.75525 2.86031 2.08917 2.07093 2.70679 2.60499 2.70833 2.68648 2.68292 2.68300 2.92175 2.92079 2.92256 2.77546 2.83233 2.06876 2.09201 2.67117 2.05078 2.59923 2.04302 2.06573 2.09098 2.06172 2.59201 2.05048 2.04876 2.59585 2.05071 2.06456 2.06460 2.06802 2.06470 2.06469 2.06791 2.06812 2.06448 2.06451 2.53368 2.05342 2.67107 2.04924 2.04898 2.28406 2.68504 2.05825 1.96666 1.93686 1.95748 1.99147 1.93976 1.86848 1.89733 1.90544 1.85621 2.11564 2.08653 2.08084 2.07639 2.14309 2.06369 2.08543 2.08140 2.11636 1.91305 1.91164 1.90826 1.91244 1.91033 1.90807 1.95107 1.87445 1.94911 1.89431 1.92622 1.86504 2.12536 2.07985 2.07798 2.11161 2.07678 2.09426 1.91577 1.96424 1.91905 1.88767 1.88985 1.88544 2.10349 2.07462 2.10507 2.09485 2.08683 2.10151 2.11100 2.07055 2.10163 1.93434 1.93467 1.91876 1.88911 1.89298 1.89284 1.93474 1.93477 1.91913 1.88917 1.89237 1.89250 1.91833 1.93455 1.93471 1.89314 1.89303 1.88896 2.16923 2.02069 2.09326 2.10546 2.09054 2.08716 2.09320 2.09851 2.09148 2.17769 2.07620 2.02929 3.12745 3.17019 3.14226 3.14318 1.05034 -1.10251 -3.12267 -3.02113 1.10921 -0.91095 -2.87125 -0.79520 1.24415 1.21126 -2.99587 -0.95652 1.02691 -1.07635 3.10413 -3.03950 1.14042 -0.96228 1.08076 -2.08152 -3.02678 0.09414 -1.00874 2.11217 3.11579 -0.01935 -0.00519 -3.14033 -3.11999 0.02309 0.00134 -3.13876 0.00673 -3.13208 -3.14102 0.00336 3.12768 -0.04923 -0.00751 3.09877 -0.00446 3.13845 3.13429 -0.00599 0.00188 -3.14110 -3.13688 0.00333 3.14084 1.04274 -1.04982 -1.04362 3.14147 1.04890 1.04680 -1.05130 3.13932 -3.14102 -1.04252 1.04991 1.04393 -3.14076 -1.04832 -1.04824 1.05026 -3.14049 -1.04905 1.04353 -3.14159 1.05004 -3.14056 -1.04250 -3.13959 -1.04701 1.05105 -0.76240 2.38011 -2.85842 0.28410 1.33064 -1.81003 -2.18397 0.96291 2.03498 -1.10133 -0.00341 -3.13972 0.00103 -3.13947 3.14114 0.00063 0.00643 3.14045 -3.09950 0.03452 0.00056 3.14106 3.14081 -0.00188 -0.00314 3.14129 3.13986 0.00110 -3.11782 0.02210 0.01828 -3.12499 -0.00100 3.13776 -3.13504 0.00373 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00002 0.00005 0.00005 0.00001 0.00000 0.00002 -0.00003 -0.00003 -0.00001 -0.00002 0.00000 -0.00001 0.00005 -0.00004 0.00002 -0.00005 -0.00006 0.00002 -0.00002 0.00002 0.00000 0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00001 -0.00001 0.00001 0.00001 0.00000 -0.00000 -0.00001 0.00001 -0.00002 -0.00005 -0.00010 -0.00007 0.00009 -0.00003 0.00006 -0.00008 -0.00010 0.00005 0.00003 -0.00006 0.00003 -0.00002 -0.00002 0.00004 0.00001 -0.00001 -0.00000 0.00003 -0.00001 -0.00006 -0.00004 0.00009 -0.00001 -0.00006 0.00004 -0.00002 -0.00002 0.00005 0.00001 -0.00001 0.00001 0.00000 -0.00003 -0.00007 0.00010 0.00002 -0.00003 0.00000 -0.00002 0.00003 -0.00000 -0.00001 -0.00001 0.00002 -0.00000 -0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00004 -0.00001 0.00000 0.00001 0.00003 0.00002 0.00001 0.00001 -0.00005 0.00001 0.00002 0.00001 -0.00004 0.00001 -0.00002 0.00000 0.00002 0.00003 0.00008 -0.00007 -0.00001 0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00014 0.00003 0.00012 0.00011 -0.00018 -0.00009 -0.00001 -0.00035 -0.00029 -0.00037 -0.00056 -0.00050 -0.00058 -0.00006 -0.00009 -0.00007 0.00016 0.00013 0.00016 0.00019 0.00022 0.00024 -0.00001 0.00002 0.00005 -0.00051 -0.00064 -0.00054 -0.00067 -0.00058 -0.00071 -0.00010 -0.00007 0.00003 0.00006 0.00012 0.00018 -0.00001 0.00006 -0.00004 -0.00004 -0.00007 -0.00007 0.00002 -0.00000 0.00006 0.00003 0.00003 0.00003 0.00003 0.00003 0.00004 0.00002 0.00005 0.00002 0.00020 0.00023 0.00021 0.00016 0.00019 0.00017 0.00011 0.00013 0.00011 0.00020 0.00023 0.00021 0.00022 0.00024 0.00023 0.00020 0.00023 0.00021 0.00006 0.00004 0.00006 0.00006 0.00005 0.00007 0.00014 0.00012 0.00015 -0.00092 -0.00089 -0.00095 -0.00092 -0.00096 -0.00094 0.00001 0.00003 0.00001 0.00002 -0.00002 -0.00001 -0.00000 -0.00004 -0.00007 -0.00011 -0.00001 0.00002 0.00002 0.00005 -0.00001 0.00003 -0.00001 0.00003 0.00000 0.00000 0.00003 0.00003 -0.00007 -0.00012 -0.00008 -0.00014 -0.00002 -0.00002 -0.00005 -0.00005 -0.00005 -0.00004 -0.00003 0.00001 -0.00000 -0.00000 0.00003 0.00001 -0.00000 0.00002 -0.00000 0.00001 -0.00001 -0.00003 -0.00003 0.00002 0.00004 -0.00001 0.00001 -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 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00002 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00003 0.00001 -0.00000 -0.00001 -0.00001 -0.00005 0.00005 0.00005 -0.00003 -0.00000 0.00002 -0.00002 0.00001 0.00001 -0.00002 -0.00000 -0.00000 0.00001 -0.00004 -0.00001 -0.00000 0.00007 -0.00002 0.00001 -0.00001 -0.00003 0.00003 0.00000 0.00003 -0.00003 0.00001 0.00000 -0.00001 0.00002 0.00002 -0.00004 -0.00000 0.00001 0.00001 0.00001 -0.00003 0.00001 0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00001 0.00004 0.00001 -0.00000 -0.00000 -0.00002 -0.00002 -0.00000 0.00003 0.00003 -0.00003 -0.00002 -0.00002 0.00006 0.00002 0.00002 -0.00003 -0.00004 -0.00004 0.00002 -0.00001 -0.00002 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00002 -0.00000 -0.00030 0.00007 -0.00005 0.00016 -0.00007 -0.00012 -0.00005 -0.00004 -0.00009 -0.00002 0.00003 0.00000 -0.00003 -0.00001 -0.00003 -0.00006 -0.00003 -0.00005 -0.00007 0.00002 -0.00000 -0.00003 0.00019 0.00025 0.00022 0.00027 0.00024 0.00029 0.00004 0.00003 -0.00001 -0.00002 -0.00003 -0.00007 0.00002 -0.00002 0.00001 0.00001 0.00002 0.00002 -0.00000 -0.00000 -0.00001 -0.00001 -0.00002 -0.00001 -0.00002 -0.00001 -0.00002 -0.00000 -0.00002 0.00000 -0.00027 -0.00029 -0.00027 -0.00022 -0.00025 -0.00022 -0.00021 -0.00024 -0.00022 -0.00034 -0.00035 -0.00033 -0.00034 -0.00035 -0.00033 -0.00038 -0.00039 -0.00037 -0.00004 -0.00002 -0.00004 -0.00005 -0.00004 -0.00006 -0.00003 -0.00002 -0.00004 -0.01074 -0.01073 -0.01072 -0.01070 -0.01085 -0.01083 -0.00040 -0.00037 -0.00036 -0.00033 -0.00035 -0.00031 -0.00003 0.00003 0.00001 0.00007 -0.00000 -0.00002 -0.00000 -0.00002 0.00003 -0.00003 0.00002 -0.00005 0.00001 0.00000 -0.00001 -0.00002 0.00005 0.00013 0.00000 0.00009 0.00000 0.00001 0.00002 0.00002 -0.00003 0.00001 0.00002 0.00003 -0.00000 0.00002 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 0.00005 -0.00007 -0.00001 -0.00003 -0.00002 0.00001 -0.00002 0.00001 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00002 -0.00009 -0.00007 0.00008 -0.00003 0.00001 -0.00003 -0.00006 0.00002 0.00003 -0.00004 0.00001 -0.00001 -0.00001 0.00002 0.00001 -0.00001 0.00000 -0.00001 -0.00002 -0.00006 0.00002 0.00007 0.00000 -0.00007 0.00001 0.00002 -0.00001 0.00008 -0.00002 -0.00000 0.00001 -0.00001 -0.00002 -0.00004 0.00006 0.00002 -0.00003 0.00001 -0.00001 -0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00001 -0.00000 0.00001 0.00004 -0.00002 -0.00002 -0.00000 -0.00001 0.00002 0.00003 -0.00000 -0.00003 -0.00001 -0.00001 0.00010 -0.00007 -0.00003 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00015 0.00004 0.00011 -0.00019 -0.00011 -0.00014 0.00015 -0.00041 -0.00041 -0.00042 -0.00060 -0.00059 -0.00061 -0.00004 -0.00009 -0.00010 0.00015 0.00010 0.00010 0.00016 0.00017 0.00017 0.00001 0.00002 0.00002 -0.00032 -0.00040 -0.00032 -0.00040 -0.00035 -0.00042 -0.00006 -0.00003 0.00002 0.00004 0.00009 0.00011 0.00001 0.00004 -0.00003 -0.00003 -0.00006 -0.00005 0.00002 -0.00000 0.00005 0.00002 0.00001 0.00002 0.00001 0.00002 0.00002 0.00002 0.00003 0.00002 -0.00007 -0.00007 -0.00006 -0.00006 -0.00006 -0.00005 -0.00011 -0.00011 -0.00010 -0.00014 -0.00012 -0.00012 -0.00012 -0.00010 -0.00010 -0.00018 -0.00016 -0.00016 0.00002 0.00002 0.00002 0.00001 0.00001 0.00001 0.00011 0.00010 0.00011 -0.01166 -0.01162 -0.01166 -0.01163 -0.01181 -0.01177 -0.00039 -0.00034 -0.00035 -0.00030 -0.00037 -0.00032 -0.00003 -0.00001 -0.00006 -0.00003 -0.00001 0.00000 0.00001 0.00003 0.00002 -0.00000 0.00001 -0.00001 0.00001 0.00000 0.00002 0.00001 -0.00003 0.00000 -0.00008 -0.00005 -0.00001 -0.00001 -0.00003 -0.00003 2.77282 2.76974 2.75527 2.86034 2.08917 2.07095 2.70679 2.60497 2.70832 2.68648 2.68292 2.68299 2.92179 2.92072 2.92255 2.77543 2.83231 2.06877 2.09200 2.67118 2.05077 2.59923 2.04302 2.06572 2.09097 2.06172 2.59200 2.05048 2.04876 2.59585 2.05071 2.06455 2.06459 2.06802 2.06469 2.06469 2.06790 2.06812 2.06448 2.06451 2.53368 2.05342 2.67106 2.04925 2.04898 2.28405 2.68505 2.05823 1.96664 1.93677 1.95740 1.99155 1.93973 1.86849 1.89730 1.90538 1.85623 2.11567 2.08649 2.08084 2.07638 2.14308 2.06370 2.08544 2.08139 2.11636 1.91304 1.91162 1.90820 1.91247 1.91039 1.90807 1.95100 1.87446 1.94913 1.89430 1.92630 1.86503 2.12536 2.07986 2.07797 2.11159 2.07673 2.09432 1.91579 1.96422 1.91906 1.88767 1.88985 1.88545 2.10349 2.07462 2.10508 2.09485 2.08683 2.10151 2.11100 2.07055 2.10163 1.93434 1.93467 1.91876 1.88911 1.89298 1.89284 1.93475 1.93481 1.91911 1.88915 1.89236 1.89248 1.91836 1.93458 1.93470 1.89311 1.89302 1.88894 2.16933 2.02062 2.09323 2.10546 2.09054 2.08716 2.09320 2.09851 2.09147 2.17754 2.07624 2.02941 3.12726 3.17008 3.14212 3.14333 1.04992 -1.10292 -3.12309 -3.02172 1.10861 -0.91155 -2.87129 -0.79529 1.24406 1.21142 -2.99577 -0.95642 1.02707 -1.07618 3.10431 -3.03949 1.14044 -0.96226 1.08044 -2.08191 -3.02710 0.09374 -1.00909 2.11175 3.11574 -0.01938 -0.00517 -3.14029 -3.11990 0.02320 0.00136 -3.13873 0.00669 -3.13210 -3.14108 0.00331 3.12770 -0.04923 -0.00747 3.09879 -0.00444 3.13847 3.13430 -0.00597 0.00190 -3.14109 -3.13685 0.00335 3.14077 1.04268 -1.04988 -1.04368 3.14141 1.04885 1.04669 -1.05140 3.13922 -3.14116 -1.04265 1.04978 1.04382 -3.14086 -1.04843 -1.04841 1.05010 -3.14066 -1.04903 1.04355 -3.14157 1.05005 -3.14056 -1.04249 -3.13949 -1.04691 1.05116 -0.77406 2.36849 -2.87008 0.27247 1.31883 -1.82181 -2.18436 0.96257 2.03462 -1.10164 -0.00378 -3.14004 0.00100 -3.13949 3.14108 0.00060 0.00641 3.14045 -3.09949 0.03455 0.00058 3.14105 3.14082 -0.00189 -0.00314 3.14129 3.13987 0.00111 -3.11785 0.02210 0.01820 -3.12504 -0.00102 3.13776 -3.13507 0.00370 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000002 0.000001 0.044278 0.009053 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -6.887488e-08 Optimization completed on the basis of negligible forces. -- 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 R40 R41 R42 R43 R44 R45 R46 R47 R48 1 1 1 2 2 2 3 3 4 4 5 5 6 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 12 13 13 14 14 14 15 15 15 16 16 16 17 17 18 18 19 20 21 21 2 7 10 3 23 24 4 8 5 9 11 13 14 15 16 20 17 25 26 12 27 18 28 29 30 31 12 32 33 19 34 35 36 37 38 39 40 41 42 43 21 44 19 45 46 22 22 47 1.4673 1.4657 1.458 1.5136 1.1055 1.0959 1.4324 1.3785 1.4332 1.4216 1.4197 1.4198 1.5461 1.5456 1.5466 1.4687 1.4988 1.0947 1.107 1.4135 1.0852 1.3755 1.0811 1.0931 1.1065 1.091 1.3716 1.0851 1.0842 1.3737 1.0852 1.0925 1.0925 1.0943 1.0926 1.0926 1.0943 1.0944 1.0925 1.0925 1.3408 1.0866 1.4135 1.0844 1.0843 1.2087 1.4209 1.0892 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 2 2 7 1 1 1 3 3 23 2 2 4 3 3 5 4 4 11 14 14 14 15 15 16 1 1 1 17 17 25 3 3 12 4 4 18 1 1 1 29 29 30 5 5 12 8 8 11 5 5 19 6 6 6 35 35 36 6 6 6 38 38 39 6 6 6 41 41 42 7 7 21 9 9 19 13 13 18 17 17 22 1 1 1 2 2 2 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 19 19 19 21 21 21 7 10 10 3 23 24 23 24 24 4 8 8 5 9 9 11 13 13 15 16 20 16 20 20 17 25 26 25 26 26 12 27 27 18 28 28 29 30 31 30 31 31 12 32 32 11 33 33 19 34 34 35 36 37 36 37 37 38 39 40 39 40 40 41 42 43 42 43 43 21 44 44 19 45 45 18 46 46 22 47 47 112.6814 110.9739 112.1551 114.1028 111.1402 107.0558 108.7087 109.1737 106.353 121.2171 119.5493 119.2231 118.9684 122.7902 118.2405 119.4863 119.2552 121.2583 109.6096 109.5289 109.3355 109.5749 109.4536 109.3242 111.7883 107.3982 111.676 108.5362 110.3642 106.8592 121.7743 119.1665 119.0592 120.9863 118.9907 119.992 109.7657 112.5429 109.9534 108.1556 108.2806 108.0276 120.5209 118.8672 120.6118 120.026 119.5665 120.4075 120.9516 118.6339 120.4145 110.8297 110.8487 109.9371 108.238 108.4596 108.4517 110.8526 110.854 109.9581 108.2412 108.4248 108.432 109.9123 110.8416 110.8505 108.469 108.4626 108.2293 124.2875 115.7771 119.9348 120.6338 119.7792 119.5856 119.9313 120.2356 119.8329 124.7727 118.9572 116.27 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A82 A83 A84 6 20 6 20 22 20 22 21 22 46 46 46 -1 -1 -2 179.1897 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 181.6388 180.038 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 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 7 7 7 10 10 10 2 2 2 10 10 10 2 2 2 7 7 7 1 1 23 23 24 24 2 2 8 8 2 2 4 4 3 3 9 9 3 3 5 5 4 4 13 13 4 4 11 11 15 15 15 16 16 16 20 20 20 14 14 14 16 16 16 20 20 20 14 14 14 15 15 15 20 20 20 14 14 15 15 16 16 1 1 25 25 26 26 3 3 27 27 4 4 28 28 5 5 32 32 5 5 34 34 7 7 44 44 9 9 45 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 9 9 9 9 11 11 11 11 13 13 13 13 17 17 17 17 18 18 18 2 2 2 2 2 2 7 7 7 7 7 7 10 10 10 10 10 10 3 3 3 3 3 3 4 4 4 4 8 8 8 8 5 5 5 5 9 9 9 9 11 11 11 11 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 21 21 21 21 21 21 17 17 17 17 17 17 12 12 12 12 18 18 18 18 12 12 12 12 19 19 19 19 21 21 21 21 19 19 19 3 23 24 3 23 24 17 25 26 17 25 26 29 30 31 29 30 31 4 8 4 8 4 8 5 9 5 9 12 27 12 27 11 13 11 13 18 28 18 28 12 32 12 32 19 34 19 34 35 36 37 35 36 37 35 36 37 38 39 40 38 39 40 38 39 40 41 42 43 41 42 43 41 42 43 17 47 17 47 17 47 21 44 21 44 21 44 11 33 11 33 19 45 19 45 8 33 8 33 18 46 18 46 22 47 22 47 13 46 13 60.1799 -63.1692 -178.9156 -173.0979 63.553 -52.1933 -164.5105 -45.5615 71.2846 69.4003 -171.6506 -54.8046 58.8377 -61.6704 177.8538 -174.1506 65.3413 -55.1345 61.9227 -119.2621 -173.4215 5.3937 -57.7967 121.0185 178.5218 -1.1087 -0.2971 -179.9276 -178.7621 1.3231 0.0769 -179.8379 0.3855 -179.4548 -179.9671 0.1926 179.2028 -2.8204 -0.4303 177.5465 -0.2555 179.82 179.5815 -0.343 0.1074 -179.9719 -179.7299 0.1907 179.9569 59.7448 -60.1503 -59.7952 179.9927 60.0976 59.9771 -60.235 179.8699 -179.9672 -59.7323 60.1553 59.813 -179.9521 -60.0645 -60.0595 60.1754 -179.9371 -60.1061 59.79 -179.9998 60.1629 -179.941 -59.7308 -179.8853 -59.9893 60.2209 -43.6826 136.3702 -163.7752 16.2775 76.2399 -103.7073 -125.1321 55.1706 116.5955 -63.1018 -0.1957 -179.8929 0.0593 -179.8786 179.9741 0.0363 0.3682 179.9344 -177.5885 1.9776 0.0321 179.9693 179.9552 -0.1075 -0.1801 179.9825 179.9006 0.0633 -178.6379 1.266 1.0476 -179.0486 -0.0574 179.7806 -179.6244 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 Grimme-D3 -0.0432614169 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 0 0 0 0 0 0 0 0 0 0 266.23139999999984 AuxInfo=1/0/N:2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;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/rA:47nN0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.8527,-.9177,-.3947;-3.1029,-.3902,.1153;-2.9504,.8676,.929;-2.3716,2.048,.3771;-2.2844,3.2141,1.1833;5.0656,-2.7687,-1.2392;-.8849,-1.2209,.6403;-3.4026,.8874,2.2224;-1.8849,2.1147,-.9505;-2.0783,-2.0331,-1.2826;-2.7644,3.1817,2.5124;-3.3131,2.0425,3.0221;-1.7221,4.392,.6423;5.2793,-1.6966,-2.3145;5.2247,-4.163,-1.8585;6.0904,-2.5792,-.1138;.4878,-1.3569,.0706;-1.3515,3.2723,-1.4468;-1.265,4.4248,-.6442;3.7143,-2.6393,-.6899;1.2829,-2.4093,.2734;2.5988,-2.5226,-.2481;-3.6464,-1.1346,.7234;-3.7457,-.1835,-.7476;-.8782,-.3894,1.351;-1.1514,-2.1237,1.218;-3.8405,-.0103,2.6427;-1.9107,1.2289,-1.5677;-2.721,-1.7271,-2.1097;-2.5562,-2.894,-.7874;-1.1351,-2.3771,-1.7058;-2.6905,4.0761,3.1189;-3.6796,2.0182,4.0397;-1.6598,5.2743,1.2679;5.1773,-.695,-1.8969;4.5555,-1.8,-3.1229;6.2801,-1.786,-2.741;5.074,-4.9441,-1.1134;4.5043,-4.3209,-2.6611;6.2272,-4.2792,-2.2748;7.1043,-2.6643,-.5096;5.9886,-1.5979,.3491;5.9657,-3.3324,.6642;.8374,-.5244,-.5307;-.9855,3.3009,-2.4648;-.8361,5.3325,-1.0477;.9213,-3.2433,.8685; 0.000000 1.449607 0.000000 2.478814 1.505825 0.000000 3.108179 2.558992 1.425817 0.000000 4.443951 3.847285 2.452361 1.420312 0.000000 7.211198 8.614829 9.065235 9.006873 9.781844 0.000000 1.449073 2.425970 2.951521 3.600749 4.682173 6.429278 0.000000 3.536928 2.482354 1.370357 2.411494 2.782717 9.851822 3.645090 0.000000 3.083123 2.982250 2.494552 1.415565 2.433442 8.499417 3.828438 3.725188 0.000000 1.443338 2.388050 3.750404 4.415444 5.801393 7.181794 2.404467 4.750547 4.165544 0.000000 5.107690 4.315063 2.810173 2.449335 1.413473 10.525715 5.140120 2.399059 3.728821 6.485933 0.000000 4.750887 3.796354 2.427620 2.807616 2.410774 10.559777 4.713768 1.407824 4.222182 6.055250 1.363315 0.000000 5.411607 5.005353 3.743234 2.446659 1.412908 10.044237 5.674943 4.195574 2.783823 6.716658 2.459339 3.703316 0.000000 7.426760 8.824433 9.209871 8.933191 9.672599 1.533353 6.852240 10.130854 8.228741 7.437197 10.573465 10.783763 9.738180 0.000000 7.922318 9.352947 9.995394 10.063655 10.957216 1.533968 7.226768 10.797639 9.527851 7.628993 11.699388 11.628545 11.300371 2.508735 0.000000 8.119830 9.453056 9.731541 9.656954 10.265600 1.533797 7.146157 10.372606 9.291857 8.269933 10.885465 10.937120 10.497789 2.505953 2.510343 0.000000 2.426330 3.718772 4.184014 4.456817 5.460515 4.966373 1.492368 4.980134 4.327159 2.978772 6.094145 5.891906 6.185437 5.363043 5.833842 5.737358 0.000000 4.349075 4.349868 3.739412 2.421991 2.791340 8.815586 4.976174 4.833019 1.367810 5.357443 4.204796 5.033071 2.399091 8.331229 9.934686 9.560240 5.207165 0.000000 5.380535 5.209469 4.238923 2.813590 2.417584 9.600836 5.802403 5.029869 2.411362 6.540117 3.709091 4.828182 1.365664 9.115322 10.832369 10.170510 6.083657 1.407132 0.000000 5.834584 7.223632 7.703042 7.755456 8.588119 1.464352 4.993359 8.459827 7.349810 5.854350 9.279715 9.224066 8.987062 2.444746 2.443062 2.445625 3.554357 7.821859 8.642719 0.000000 3.535930 4.830792 5.393344 5.764845 6.721326 4.089736 2.499191 6.051438 5.656814 3.722921 7.256284 6.964020 7.444665 4.814162 4.812303 4.826071 1.334500 6.494563 7.351083 2.625421 0.000000 4.734235 6.098245 6.608508 6.781300 7.668415 2.669747 3.823577 7.331297 6.488584 4.815125 8.302067 8.153894 8.202061 3.483762 3.489890 3.494579 2.432480 7.114914 7.959384 1.205446 1.420071 0.000000 2.124738 1.104213 2.129649 3.445868 4.580080 9.078549 2.764114 2.528758 4.057381 2.700036 4.754875 3.935618 5.852511 9.445183 9.722804 9.878875 4.191268 5.421872 6.200591 7.644699 5.111245 6.470938 0.000000 2.060887 1.095705 2.132722 2.851878 4.172259 9.195850 3.344708 3.175807 2.964024 2.547031 4.787056 4.399268 5.192507 9.284116 9.876133 10.143474 4.468645 4.261899 5.234593 7.854069 5.593156 6.780423 1.754526 0.000000 2.067946 2.544869 2.460094 3.019891 3.871788 6.906410 1.093882 2.960038 3.546994 3.328356 4.202349 3.825669 4.906706 7.284160 7.860413 7.449973 2.107481 4.632482 5.225585 5.506227 3.148257 4.381491 2.934611 3.559429 0.000000 2.132352 2.833589 3.502530 4.427106 5.456831 6.716008 1.104487 3.891405 4.817110 2.668375 5.694308 5.028468 6.565894 7.349448 7.367369 7.377320 2.142785 6.021458 6.809054 5.251799 2.626707 4.046364 2.729059 3.789256 1.760735 0.000000 3.741698 2.660089 2.121264 3.395170 3.866200 10.099240 3.769696 1.083590 4.609838 4.754406 3.371044 2.153194 5.279083 10.515989 10.939921 10.621626 5.211762 5.804675 6.091466 8.665572 6.133276 7.492171 2.232739 3.396040 3.253768 3.705006 0.000000 2.446875 2.621999 2.728453 2.159968 3.413018 8.047193 3.453818 4.087395 1.079900 3.278690 4.603209 4.867731 3.863256 7.798235 8.948224 8.979606 3.888823 2.121992 3.388745 6.882906 5.179294 6.012557 3.721193 2.456511 3.493390 4.424512 4.794388 0.000000 2.085704 2.623635 4.002305 4.534052 5.953958 7.904029 3.345162 5.105578 4.098990 1.091253 6.742569 6.395005 6.783355 8.002945 8.314467 9.074703 3.897036 5.225737 6.489437 6.652929 4.709099 5.692014 3.038735 2.299520 4.142701 3.700605 5.175457 3.112537 0.000000 2.134125 2.717069 4.153405 5.080692 6.423852 7.636150 2.762385 4.906508 5.056051 1.102095 6.917108 6.281287 7.471572 8.072137 7.956064 8.678448 3.516284 6.317315 7.433129 6.276422 4.012275 5.196424 2.562542 2.960255 3.696125 2.566757 4.661575 4.245362 1.771230 0.000000 2.088952 3.337112 4.556928 5.044750 6.397653 6.230539 2.627489 5.588310 4.616198 1.089548 7.165844 6.828663 7.188814 6.479026 6.607511 7.401551 2.613463 5.659492 6.885503 4.961636 3.124880 4.011028 3.708304 3.541948 3.655323 2.934803 5.641804 3.691086 1.760912 1.769155 0.000000 6.163310 5.398177 3.893334 3.425266 2.157415 11.224995 6.120655 3.388085 4.588732 7.554515 1.083170 2.128994 2.677858 11.241130 12.462241 11.482498 6.993675 4.825459 4.039070 10.031206 8.120684 9.102565 5.814088 5.848801 5.133307 6.664863 4.271811 5.538848 7.811305 7.991229 8.206216 0.000000 5.623314 4.640524 3.395938 3.889278 3.396365 11.280916 5.464303 2.158282 5.304000 6.877804 2.126926 1.081831 4.583497 11.594688 12.340283 11.568957 6.671766 6.090542 5.793103 9.936377 7.642927 8.855686 4.575920 5.269794 4.568757 5.613334 2.468323 5.932489 7.263700 6.978029 7.668421 2.461946 0.000000 6.414238 5.957958 4.604226 3.421788 2.154443 10.779835 6.571259 4.815926 3.867166 7.750970 2.673512 4.031717 1.083358 10.467916 12.092644 11.119886 7.072336 3.387146 2.129185 9.764124 8.287684 9.012487 6.731708 6.180675 5.717947 7.415590 5.879779 4.946563 7.845558 8.470391 8.225707 2.433920 4.729062 0.000000 7.192145 8.526617 8.745637 8.347489 8.969194 2.178341 6.592700 9.648148 7.659323 7.403501 9.876359 10.187168 8.940153 1.089945 3.468512 2.750191 5.128436 7.652891 8.323764 2.716123 4.776589 3.564686 9.215015 9.011262 6.878347 7.196991 10.119119 7.351878 7.968289 8.116211 6.535494 10.479705 11.002265 9.612195 0.000000 7.020405 8.433495 8.937076 8.662626 9.511519 2.178713 6.640344 9.956132 7.843661 6.888292 10.495493 10.697715 9.587742 1.089956 2.762250 3.466620 5.190460 7.964250 8.875253 2.707632 4.755635 3.551730 9.083359 8.784368 7.178482 7.177528 10.341006 7.307877 7.347072 7.564852 5.892737 11.224648 11.562788 10.390083 1.763665 0.000000 8.508935 9.906955 10.281657 9.963640 10.665512 2.167126 7.942911 11.204337 9.224402 8.488346 11.579338 11.828023 10.660645 1.091655 2.746461 2.750924 6.452973 9.246747 9.994983 3.393916 5.869257 4.506571 10.533869 10.346959 8.362848 8.427111 11.600159 8.806632 9.023459 9.117274 7.510478 12.213726 12.635139 11.356106 1.766062 1.766458 0.000000 8.044065 9.439753 10.116205 10.322198 11.223975 2.179083 7.241942 10.815998 9.913614 7.723866 11.858202 11.673035 11.680376 3.468523 1.089960 2.761315 5.941665 10.435829 11.321622 2.709311 4.766670 3.569173 9.691820 10.029179 7.889708 7.221222 10.859011 9.332660 8.491404 7.907513 6.744861 12.631885 12.314809 12.467147 4.321955 3.767233 3.752017 0.000000 7.558369 9.001521 9.766310 9.852467 10.846310 2.178631 7.039312 10.653296 9.228494 7.103861 11.657147 11.571695 11.206883 2.758208 1.089944 3.469559 5.690317 9.665444 10.669583 2.708797 4.758456 3.561900 9.382998 9.425595 7.779775 7.201518 10.786363 8.552678 7.696543 7.442891 6.040982 12.477315 12.331312 12.062354 3.766194 2.563401 3.096155 1.762987 0.000000 8.950945 10.386912 10.999192 11.000270 11.855672 2.168817 8.272419 11.817420 10.413611 8.660935 12.626695 12.611124 12.119845 2.751384 1.091757 2.752911 6.854360 10.730687 11.599684 3.393535 5.868274 4.512038 10.787318 10.888851 8.874937 8.443364 11.990140 9.852213 9.306554 9.015511 7.625345 13.357759 13.329526 12.885083 3.753913 3.108155 2.537045 1.766550 1.766238 0.000000 9.126452 10.476143 10.753659 10.620044 11.205855 2.167866 8.199579 11.422505 10.190224 9.236724 11.861791 11.964599 11.358874 2.743137 2.756565 1.091812 6.769422 10.374130 10.969046 3.394894 5.879437 4.515312 10.928787 11.132613 8.506371 8.451902 11.694850 9.876659 9.998807 9.667226 8.330779 12.431367 12.606206 11.957904 3.084862 3.751347 2.535736 3.111932 3.759433 2.548113 0.000000 7.905818 9.174344 9.290863 9.120635 9.606998 2.178399 6.889958 9.893424 8.801436 8.241804 10.204923 10.340212 9.768267 2.758208 3.469461 1.089817 5.513167 8.990048 9.480214 2.708586 4.775801 3.564038 9.653379 9.897517 7.043962 7.211909 10.217212 8.606086 9.050975 8.716931 7.455037 10.732797 10.962258 10.323231 2.553087 3.761570 3.109578 3.764670 4.321994 3.759182 1.766254 0.000000 8.251002 9.549718 9.859337 9.926812 10.544725 2.179614 7.168630 10.392261 9.690763 8.377601 11.048334 10.979386 10.898102 3.466882 2.757342 1.089998 5.853442 10.080650 10.685009 2.717099 4.788922 3.581047 9.860323 10.306338 7.481454 7.240247 10.540956 9.371499 9.259068 8.655718 7.546573 11.655137 11.534984 11.514697 3.759894 4.321870 3.753100 2.559766 3.764316 3.098731 1.766537 1.763074 0.000000 2.722103 3.995144 4.291321 4.211744 5.163324 4.839029 2.196042 5.248813 3.814707 3.367934 5.997429 6.036441 5.665441 4.928081 5.852400 5.655969 1.084862 4.477153 5.378389 3.574183 2.097161 2.678677 4.695684 4.600904 2.550006 3.093766 5.676006 3.420736 4.074547 4.146948 2.950329 6.850580 6.910643 6.564694 4.553052 4.708570 6.008368 6.149982 5.691940 6.796400 6.622267 5.334943 5.967613 0.000000 4.778515 4.976363 4.615090 3.401049 3.873449 8.657806 5.486189 5.799753 2.123454 5.571648 5.286912 6.091588 3.374494 8.015325 9.728486 9.495870 5.503982 1.082129 2.157770 7.779742 6.726802 7.188466 6.076025 4.765338 5.309465 6.558726 6.723154 2.440111 5.330881 6.607321 5.730502 5.889450 7.156234 4.275729 7.366829 7.560099 8.873698 10.321043 9.395137 10.465111 10.239766 8.975253 10.105005 4.657936 0.000000 6.365942 6.264193 5.320946 3.895559 3.400434 10.024684 6.767444 6.086020 3.385813 7.473281 4.584630 5.789908 2.127408 9.402657 11.293950 10.556644 6.910193 2.160872 1.082025 9.185995 8.134520 8.610427 7.270302 6.243584 6.204483 7.799204 7.154755 4.273732 7.383618 8.408366 7.743434 4.730530 6.704591 2.458457 8.556405 9.178621 10.206849 11.854994 11.149445 11.990860 11.282223 9.826360 11.147875 6.113125 2.481488 0.000000 3.833922 4.990142 5.647388 6.251618 7.216223 4.673658 2.721112 6.131158 6.316025 3.884521 7.587374 7.106930 8.083073 5.613904 5.177054 5.303366 2.093633 7.278695 8.115911 3.254969 1.086522 2.140254 5.033018 5.809934 3.408196 2.381539 6.022792 5.827182 4.943194 3.867402 3.406788 8.466618 7.675185 8.909034 5.679400 5.587686 6.623480 4.905711 5.143670 6.253546 6.361208 5.353064 5.049353 3.059047 7.587752 8.961287 0.000000 C21H25N 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 0 0 0 0 0 0 0 0 0 0 266.23139999999984 AuxInfo=1/0/N:2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;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/rA:47nN0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.9482,-1.6625,-.9438;-2.3527,-1.9953,-.8102;-3.1303,-1.0357,.0513;-3.217,.3513,-.2672;-3.9926,1.2018,.5649;5.7697,.6768,.2388;-.2446,-1.5939,.3212;-3.7926,-1.5107,1.153;-2.5688,.9223,-1.3887;-.2926,-2.5296,-1.8932;-4.6553,.6623,1.6908;-4.5586,-.6666,1.9792;-4.0933,2.5759,.2518;5.5742,1.8803,-.6908;6.8274,-.2659,-.3492;6.2184,1.1636,1.6224;1.0482,-.862,.1792;-2.691,2.2557,-1.6683;-3.4586,3.0954,-.8402;4.5022,-.0452,.3675;2.2288,-1.3419,.575;3.4529,-.6308,.4629;-2.4983,-3.0156,-.4138;-2.7833,-2.0026,-1.8177;-.8723,-1.0433,1.0279;-.0742,-2.5907,.7655;-3.725,-2.5644,1.3964;-1.9466,.2987,-2.0133;-.7875,-2.462,-2.8634;-.2944,-3.5889,-1.5889;.7452,-2.2268,-2.029;-5.2419,1.3208,2.3198;-5.0655,-1.0787,2.8415;-4.6865,3.2145,.8952;4.8304,2.5694,-.2909;5.2431,1.5642,-1.68;6.5138,2.4243,-.8047;6.9826,-1.1328,.293;6.5287,-.6264,-1.3335;7.7813,.2548,-.4536;7.159,1.7121,1.5418;5.4759,1.8274,2.0651;6.3708,.3273,2.3046;.9887,.1258,-.2653;-2.1869,2.6711,-2.531;-3.5427,4.1493,-1.07;2.2811,-2.3361,1.01; 0.4614832 0.1050783 0.0969962 -14.31021 -10.20532 -10.20137 -10.19696 -10.18663 -10.18652 -10.18449 -10.18419 -10.18371 -10.17642 -10.17642 -10.17582 -10.17541 -10.17524 -10.17453 -10.17337 -10.17023 -10.16202 -10.16177 -10.16176 -10.16050 -10.15816 -0.94136 -0.88331 -0.83876 -0.83173 -0.81007 -0.78933 -0.74779 -0.74635 -0.73768 -0.70328 -0.69584 -0.69330 -0.69292 -0.63346 -0.62370 -0.61891 -0.59744 -0.58061 -0.56849 -0.52267 -0.51564 -0.50679 -0.50187 -0.48537 -0.48049 -0.47638 -0.46205 -0.45119 -0.44730 -0.44696 -0.43689 -0.42562 -0.42221 -0.40809 -0.40044 -0.39839 -0.39814 -0.39705 -0.38910 -0.37907 -0.37627 -0.37072 -0.36842 -0.36746 -0.35949 -0.34778 -0.34591 -0.34238 -0.33483 -0.33174 -0.32034 -0.28809 -0.26162 -0.25269 -0.23215 -0.22709 -0.21974 -0.05016 -0.02547 -0.02052 -0.00111 0.00293 0.00911 0.01128 0.01320 0.01944 0.02531 0.02673 0.03162 0.03179 0.03719 0.03871 0.04473 0.04891 0.05004 0.05257 0.05607 0.05768 0.06024 0.06179 0.06775 0.06947 0.07213 0.07407 0.07742 0.08226 0.08247 0.08611 0.08777 0.09015 0.09769 0.09910 0.10226 0.10337 0.10586 0.10725 0.11118 0.11497 0.12068 0.12346 0.13018 0.13385 0.13519 0.13749 0.14108 0.14337 0.14819 0.15344 0.15423 0.15684 0.15939 0.16153 0.16412 0.16807 0.17123 0.17308 0.17677 0.17793 0.18276 0.18441 0.18706 0.18819 0.19265 0.19612 0.19989 0.20128 0.20316 0.20358 0.20930 0.21156 0.21259 0.21550 0.21664 0.22095 0.22170 0.22295 0.22522 0.22692 0.23052 0.23358 0.23750 0.24110 0.24176 0.24371 0.24603 0.24616 0.24816 0.25114 0.25336 0.25638 0.25710 0.25954 0.26019 0.26513 0.26760 0.27002 0.27420 0.27941 0.28265 0.28451 0.28669 0.28812 0.28994 0.29264 0.29932 0.30123 0.30479 0.30704 0.31089 0.31644 0.32018 0.32314 0.32976 0.33231 0.33613 0.34268 0.34612 0.35144 0.35634 0.36601 0.37140 0.37400 0.37722 0.38977 0.39280 0.40253 0.41503 0.42573 0.43307 0.43482 0.43910 0.44252 0.45882 0.46956 0.47206 0.47550 0.48121 0.48654 0.49019 0.49878 0.51177 0.51633 0.51924 0.52670 0.53441 0.54189 0.54490 0.54947 0.55099 0.55520 0.56283 0.56540 0.56845 0.57701 0.58166 0.58514 0.58968 0.59320 0.59688 0.60825 0.60844 0.61323 0.62175 0.62851 0.63063 0.63407 0.63801 0.64392 0.64784 0.64993 0.65233 0.65737 0.66016 0.66356 0.66567 0.66885 0.67740 0.68296 0.69205 0.70080 0.70120 0.70227 0.70422 0.70887 0.71590 0.71956 0.72332 0.72386 0.72728 0.73305 0.73553 0.73906 0.74389 0.74677 0.75650 0.75737 0.76162 0.76349 0.76748 0.77502 0.77677 0.78588 0.79059 0.79608 0.80306 0.80526 0.81240 0.81375 0.82054 0.83355 0.83683 0.84342 0.85167 0.85547 0.86389 0.87351 0.88084 0.88112 0.89748 0.90795 0.91125 0.92402 0.92663 0.93358 0.94394 0.94977 0.95820 0.96416 0.96738 0.97773 0.98712 0.99922 1.00225 1.01208 1.02142 1.02495 1.03809 1.04445 1.05115 1.05975 1.06599 1.07910 1.08253 1.09602 1.10154 1.11162 1.11580 1.12608 1.13737 1.14709 1.15371 1.16136 1.17586 1.18267 1.18805 1.21422 1.22627 1.24690 1.26507 1.27347 1.27747 1.28954 1.30384 1.34447 1.34856 1.36224 1.37149 1.38315 1.39817 1.42438 1.44182 1.44319 1.45043 1.45762 1.45888 1.46206 1.46802 1.47304 1.47678 1.48303 1.49523 1.50095 1.50668 1.51075 1.51459 1.51707 1.52640 1.53752 1.55304 1.55649 1.55837 1.56416 1.56949 1.57321 1.57804 1.57966 1.58725 1.59740 1.60401 1.60900 1.61452 1.62503 1.63032 1.63229 1.64312 1.65466 1.65572 1.65816 1.66704 1.66914 1.67499 1.68860 1.69851 1.71243 1.71528 1.71837 1.73156 1.73259 1.73724 1.74277 1.74923 1.75306 1.75362 1.75952 1.77605 1.78008 1.78182 1.78953 1.79980 1.80639 1.82016 1.82322 1.84330 1.85007 1.85912 1.87177 1.87978 1.89447 1.89874 1.91035 1.91988 1.92427 1.93026 1.93408 1.94045 1.94946 1.95622 1.96461 1.96914 1.97565 1.98180 1.98368 1.98671 1.99084 2.00574 2.02484 2.02927 2.04781 2.07131 2.07894 2.08761 2.09536 2.09811 2.10680 2.11910 2.12460 2.13856 2.14683 2.16243 2.17301 2.18567 2.19569 2.19832 2.20494 2.20637 2.21669 2.22669 2.24816 2.25280 2.27548 2.29019 2.29889 2.31318 2.33305 2.36545 2.38351 2.40445 2.40491 2.41449 2.41875 2.42544 2.42623 2.44484 2.44970 2.45959 2.47552 2.47776 2.48219 2.48942 2.49049 2.51000 2.51788 2.53478 2.54000 2.54319 2.55127 2.55534 2.55585 2.56431 2.57569 2.57928 2.58649 2.59648 2.62046 2.62976 2.64219 2.65300 2.66279 2.66732 2.67648 2.68221 2.68771 2.70077 2.70507 2.71241 2.72059 2.72286 2.72651 2.72749 2.73655 2.74130 2.75136 2.75345 2.76103 2.76321 2.77008 2.78367 2.79254 2.80414 2.81932 2.83037 2.83549 2.85232 2.85766 2.86775 2.88184 2.88942 2.90189 2.90341 2.90880 2.91729 2.92217 2.93421 2.93870 2.95069 2.96760 2.97450 2.98828 2.99584 3.01372 3.01876 3.02519 3.03767 3.04495 3.05649 3.08373 3.09566 3.09840 3.12031 3.15640 3.16578 3.19230 3.20704 3.21809 3.23268 3.23887 3.28284 3.30626 3.34215 3.37308 3.41011 3.42101 3.42746 3.47924 3.51404 3.54250 3.56777 3.59289 3.59902 3.61790 3.62351 3.65336 3.66552 3.71687 3.75029 3.77202 3.78043 3.79792 3.79957 3.81411 3.82018 3.83597 3.83674 3.83886 3.85727 3.86781 3.89722 3.98335 4.04515 4.05412 4.06963 4.13347 4.19058 4.24247 4.30800 4.31444 4.31720 4.35021 4.42974 4.44998 4.84768 4.86386 4.91456 4.93152 23.51694 23.57106 23.79222 23.82414 23.84628 23.90435 23.93096 23.94106 23.97357 23.97567 23.97737 23.98513 23.99479 24.02052 24.04009 24.14778 24.15875 24.22076 24.22917 24.25983 25.16355 35.55936 1-A. 0.2171 -0.2118 -0.0746 0.3123 -129.0208 -126.5130 -132.1578 2.3294 -5.3009 -1.0037 0.2097 2.7175 -2.9273 2.3294 -5.3009 -1.0037 88.8285 7.7400 -8.9898 -18.3199 28.1023 34.4294 -13.0583 -3.6157 -0.9767 -3.8332 -12467.6312 -2243.1649 -1169.4896 102.4208 -192.6468 -56.7255 -29.0735 -42.6325 3.1931 -2421.1813 -2282.5391 -560.8553 23.4648 -5.1059 8.3274 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 0 0 0 0 0 0 0 0 0 0 266.23139999999984 AuxInfo=1/0/N:2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;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/rA:47nN0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.8152,-.8021,-.521;-3.0882,-.3161,.0234;-2.9527,.8862,.9329;-2.4284,2.1281,.4486;-2.351,3.245,1.3433;5.1131,-2.8896,-1.2403;-.875,-1.2165,.5242;-3.3627,.7951,2.2458;-1.9853,2.3069,-.8904;-2.0368,-1.8514,-1.5087;-2.7857,3.0957,2.6866;-3.2817,1.8958,3.129;-1.8432,4.4821,.8665;5.2336,-2.2752,-2.654;5.4736,-4.3916,-1.295;6.0772,-2.1602,-.2757;.5208,-1.3518,-.0048;-1.5031,3.5211,-1.3205;-1.4295,4.6211,-.436;3.7343,-2.7346,-.7586;1.2671,-2.4599,.1076;2.6005,-2.5904,-.3655;-3.6194,-1.1165,.5705;-3.7229,-.052,-.83;-.8809,-.4404,1.2963;-1.1948,-2.1573,1.0123;-3.7573,-.147,2.6125;-2.0008,1.4619,-1.5646;-2.6587,-1.4682,-2.322;-2.539,-2.739,-1.0794;-1.0832,-2.1737,-1.9298;-2.7199,3.947,3.3562;-3.6126,1.7837,4.1553;-1.7887,5.321,1.5527;4.982,-1.2122,-2.6383;4.5605,-2.7756,-3.354;6.2586,-2.3833,-3.0217;5.3944,-4.8468,-.3049;4.8046,-4.9276,-1.9724;6.5004,-4.5165,-1.652;7.1081,-2.2678,-.627;5.8398,-1.0952,-.2206;6.0095,-2.578,.7315;.9248,-.4741,-.502;-1.1693,3.6353,-2.3459;-1.0439,5.5714,-.7879;.8407,-3.3356,.5951; 0.000000 1.467328 0.000000 2.501611 1.513613 0.000000 3.146793 2.567108 1.432372 0.000000 4.487974 3.868686 2.468647 1.433186 0.000000 7.271665 8.688020 9.167144 9.214348 10.001069 0.000000 1.465679 2.441283 2.984173 3.688552 4.770192 6.463002 0.000000 3.549836 2.499862 1.378500 2.424855 2.799971 9.877788 3.633130 0.000000 3.135497 2.988500 2.505648 1.421624 2.450137 8.804197 3.955803 3.744105 0.000000 1.458015 2.410481 3.780915 4.452102 5.848646 7.229856 2.426067 4.781169 4.204352 0.000000 5.140378 4.338694 2.825806 2.464296 1.419739 10.659979 5.188631 2.412425 3.749349 6.529632 0.000000 4.769879 3.817664 2.439347 2.822541 2.423838 10.604872 4.718435 1.413524 4.243202 6.091021 1.371635 0.000000 5.463472 5.028279 3.763766 2.461427 1.419780 10.352385 5.790478 4.219653 2.799744 6.767091 2.474538 3.725199 0.000000 7.510385 8.958746 9.480267 9.365976 10.196936 1.546121 6.966850 10.360142 8.730353 7.372206 11.030752 11.106315 10.398909 0.000000 8.161481 9.573489 10.189213 10.391702 11.247306 1.545615 7.327673 10.840661 10.033357 7.931139 11.837546 11.651488 11.702590 2.526546 0.000000 8.012177 9.353861 9.606239 9.552977 10.142577 1.546551 7.061415 10.208073 9.237797 8.212921 10.721482 10.753214 10.399923 2.526054 2.526358 0.000000 2.454672 3.754749 4.237077 4.583980 5.585252 4.998089 1.498806 4.975600 4.522223 3.008709 6.160896 5.901400 6.354724 5.484653 5.952728 5.621458 0.000000 4.407605 4.363760 3.757877 2.434396 2.809154 9.212933 5.122777 4.858800 1.375456 5.402235 4.228859 5.059952 2.412973 8.986596 10.549187 9.530476 5.438025 0.000000 5.437609 5.228574 4.259486 2.827598 2.430814 9.993176 5.942024 5.056437 2.423028 6.588880 3.730525 4.854570 1.373663 9.842557 11.385033 10.117428 6.298011 1.413468 0.000000 5.881219 7.280654 7.790237 7.942476 8.786664 1.468710 5.019593 8.476706 7.625540 5.886279 9.400682 9.261689 9.264566 2.459943 2.461320 2.460126 3.578744 8.178079 8.993132 0.000000 3.555872 4.855085 5.448327 5.901111 6.867591 4.097977 2.511616 6.050036 5.856348 3.728065 7.344463 6.985168 7.644772 4.836710 4.836623 4.834653 1.340766 6.744368 7.596605 2.629269 0.000000 4.766635 6.138821 6.679097 6.943827 7.841494 2.677316 3.841650 7.337656 6.729675 4.832952 8.405811 8.181529 8.443051 3.502806 3.516069 3.504346 2.447343 7.423069 8.261445 1.208673 1.420864 0.000000 2.131985 1.105540 2.141665 3.458435 4.607446 9.092899 2.746649 2.554773 4.064960 2.714493 4.787003 3.966593 5.881087 9.492979 9.843230 9.789297 4.186622 5.437091 6.223248 7.646113 5.088954 6.460370 0.000000 2.072992 1.095887 2.140460 2.839633 4.180428 9.289514 3.361631 3.210692 2.930377 2.557630 4.811814 4.434298 5.193278 9.406801 10.179507 10.039578 4.514297 4.234970 5.220441 7.925370 5.619355 6.829664 1.762220 0.000000 2.075144 2.551050 2.486821 3.116187 3.968066 6.954179 1.094742 2.930522 3.680848 3.345924 4.250326 3.818465 5.034107 7.507179 7.918666 7.337814 2.118518 4.788337 5.377777 5.548524 3.178861 4.416315 2.912655 3.570582 0.000000 2.138314 2.820097 3.515594 4.494919 5.534539 6.738005 1.107047 3.865027 4.916711 2.675489 5.738298 5.026243 6.672635 7.401374 7.401553 7.385212 2.150991 6.146662 6.935387 5.269350 2.640286 4.060849 2.675310 3.770627 1.768327 0.000000 3.744311 2.679525 2.129813 3.409493 3.885080 10.052426 3.716557 1.085225 4.629418 4.780235 3.385898 2.160074 5.304806 10.634969 10.885540 10.445719 5.157952 5.831377 6.119364 8.613112 6.072012 7.433781 2.264681 3.444076 3.176902 3.628865 0.000000 2.499923 2.620240 2.734081 2.163250 3.429029 8.345561 3.578387 4.101125 1.081119 3.314023 4.621520 4.884587 3.880329 8.215175 9.497465 8.946201 4.087544 2.132456 3.403028 7.152076 5.371814 6.247464 3.718495 2.407760 3.613538 4.515424 4.808606 0.000000 2.097313 2.648197 4.027933 4.545627 5.978610 7.974404 3.368346 5.146231 4.093219 1.093135 6.777302 6.435714 6.799892 7.940366 8.702509 8.998961 3.935921 5.218386 6.492148 6.702111 4.722086 5.722414 3.068145 2.316046 4.160375 3.706110 5.225170 3.097144 0.000000 2.141760 2.718170 4.166867 5.102514 6.458572 7.655315 2.767400 4.922000 5.079674 1.106498 6.948923 6.304284 7.511033 7.944049 8.184056 8.672949 3.527225 6.349785 7.471016 6.281541 3.996680 5.191006 2.553871 2.946780 3.698227 2.553551 4.672643 4.262960 1.781311 0.000000 2.098048 3.359419 4.588351 5.096249 6.456235 6.275593 2.642305 5.607682 4.687211 1.091016 7.209453 6.854604 7.259299 6.359050 6.950801 7.349027 2.637013 5.742681 6.965708 4.989529 3.123639 4.023775 3.715052 3.560705 3.667798 2.944265 5.647226 3.767377 1.770155 1.778161 0.000000 6.197172 5.423719 3.910864 3.442033 2.163443 11.367573 6.171339 3.402983 4.611160 7.599739 1.085066 2.138810 2.693232 11.751397 12.581621 11.308238 7.062238 4.851156 4.062039 10.160319 8.215687 9.213801 5.848753 5.875625 5.184038 6.714299 4.288320 5.559425 7.846673 8.025572 8.251253 0.000000 5.637805 4.664402 3.409540 3.906516 3.410889 11.273451 5.448004 2.164671 5.327340 6.912255 2.135913 1.084156 4.607442 11.878421 12.263714 11.361373 6.650051 6.119909 5.822092 9.926717 7.629148 8.841561 4.611057 5.313761 4.536879 5.590687 2.475598 5.951414 7.310314 7.000719 7.686833 2.472914 0.000000 6.464850 5.983694 4.626740 3.438504 2.161038 11.083773 6.680761 4.841679 3.884918 7.802477 2.689229 4.055346 1.085190 11.167443 12.457310 11.008349 7.230918 3.402507 2.138671 10.036921 8.483490 9.248505 6.764480 6.187792 5.838151 7.521330 5.907434 4.965453 7.865415 8.512078 8.294401 2.451055 4.755300 0.000000 7.131201 8.544957 8.950764 8.694874 9.460083 2.187554 6.656318 9.875193 7.998949 7.137781 10.356148 10.545622 9.554742 1.092518 3.486373 2.771277 5.182414 8.136191 8.943447 2.721755 4.785162 3.568855 9.181019 8.966106 7.102819 7.236978 10.250971 7.554005 7.651520 7.831173 6.181764 11.039470 11.357661 10.299999 0.000000 7.250569 8.715445 9.393321 9.346178 10.299605 2.187809 6.856852 10.338602 8.645765 6.912514 11.177124 11.196058 10.559156 1.092539 2.772155 3.486461 5.437256 8.975028 9.955235 2.724077 4.788456 3.578734 9.223139 9.077584 7.529078 7.250593 10.568637 8.013038 7.408806 7.455067 5.851713 11.967627 11.999068 11.399304 1.770412 0.000000 8.598911 10.045380 10.544052 10.385598 11.173968 2.177612 8.051337 11.420191 9.721304 8.448998 12.016834 12.130944 11.308987 1.094349 2.762432 2.761016 6.564194 9.899557 10.717077 3.408401 5.891867 4.525510 10.587048 10.481838 8.566938 8.478123 11.707506 9.226419 8.991396 9.016515 7.425603 12.702903 12.896336 12.043334 1.774354 1.774284 0.000000 8.269547 9.622392 10.201673 10.507824 11.321938 2.187449 7.291934 10.725035 10.294625 8.102099 11.787589 11.512164 11.865331 3.486717 1.092590 2.772243 6.004827 10.891746 11.671570 2.724545 4.785634 3.591832 9.794471 10.314603 7.833255 7.237872 10.693692 9.801847 8.963005 8.245121 7.193458 12.513060 12.040962 12.587046 4.338857 3.779241 3.767864 0.000000 7.934054 9.356643 10.120163 10.390467 11.357355 2.187463 7.229377 10.828208 9.980632 7.515500 11.987220 11.746168 11.865832 2.772017 1.092585 3.486716 5.916892 10.563818 11.506702 2.725474 4.788563 3.592110 9.589400 9.889141 7.946360 7.250989 10.825154 9.343796 8.233497 7.714704 6.500239 12.797308 12.387149 12.685981 3.778864 2.569028 3.112696 1.770543 0.000000 9.177456 10.601512 11.190711 11.326397 12.147461 2.177390 8.367952 11.861232 10.915434 8.944620 12.767184 12.635874 12.527386 2.762633 1.094291 2.761483 6.963098 11.347677 12.159720 3.409467 5.891805 4.535896 10.904641 11.185825 8.932547 8.478269 11.937364 10.393235 9.676215 9.230290 7.942135 13.480593 13.254861 13.257337 3.767893 3.113029 2.546580 1.773977 1.774055 0.000000 9.043519 10.401764 10.658345 10.555859 11.124220 2.177715 8.133904 11.281557 10.182729 9.196688 11.731767 11.806388 11.310143 2.760847 2.761892 1.094404 6.679745 10.399334 10.972015 3.408430 5.890133 4.526648 10.855396 11.057166 8.417957 8.463914 11.534735 9.887451 9.944933 9.669180 8.294822 12.291399 12.418503 11.895166 3.111266 3.766289 2.543526 3.113137 3.767033 2.544899 0.000000 7.666561 8.965280 9.086509 8.899517 9.400698 2.188052 6.757107 9.713087 8.558982 8.016977 10.020724 10.166990 9.556059 2.771512 3.486331 1.092477 5.329610 8.742967 9.250205 2.722180 4.783303 3.570654 9.492320 9.638730 6.920794 7.220412 10.051426 8.355866 8.762388 8.581639 7.212047 10.558656 10.806726 10.124577 2.568067 3.778782 3.111429 3.778925 4.339141 3.767070 1.774470 0.000000 8.120844 9.401329 9.610475 9.665671 10.206822 2.188176 7.020856 10.075208 9.508374 8.383794 10.647443 10.587186 10.560724 3.486344 2.771756 1.092492 5.671989 9.891854 10.417708 2.724142 4.784666 3.581098 9.740519 10.175325 7.236372 7.222017 10.239078 9.260495 9.256959 8.739647 7.586308 11.210072 11.105488 11.130157 3.778407 4.339341 3.766449 2.569049 3.779316 3.111244 1.774411 1.770242 0.000000 2.759645 4.050310 4.352474 4.349586 5.288445 4.891006 2.200833 5.248290 4.043926 3.417789 6.056258 6.041110 5.839436 5.142078 6.055328 5.426010 1.086624 4.746174 5.613207 3.615179 2.105336 2.702845 4.713065 4.678294 2.548591 3.101477 5.632905 3.665527 4.140246 4.178636 2.993233 6.907609 6.883050 6.720740 4.644326 5.162313 6.200329 6.256003 6.086838 6.982219 6.439453 4.962134 5.639319 0.000000 4.841373 4.990952 4.635603 3.415611 3.893530 9.125025 5.644929 5.827718 2.132938 5.617647 5.313252 6.120707 3.389847 8.719336 10.472041 9.507140 5.762676 1.084413 2.165037 8.194016 7.007739 7.542753 6.090054 4.734477 5.473608 6.695767 6.752041 2.454687 5.316507 6.641700 5.824584 5.917417 7.187806 4.292423 7.837263 8.657196 9.584116 10.917679 10.447602 11.214224 10.311052 8.719143 9.980516 4.967151 0.000000 6.425596 6.284892 5.343753 3.911804 3.415135 10.473854 6.915670 6.115029 3.399114 7.523555 4.608216 5.818941 2.136029 10.220484 11.916176 10.523759 7.140860 2.167574 1.084273 9.582405 8.405060 8.948438 7.294299 6.229109 6.364916 7.937046 7.185098 4.290303 7.383593 8.448850 7.828946 4.756215 6.736521 2.469036 9.260252 10.376248 11.026974 12.256633 12.076358 12.626529 11.310817 9.599548 10.884444 6.364380 2.488267 0.000000 3.836457 4.988090 5.685776 6.368769 7.351985 4.671311 2.727517 6.120249 6.483153 3.861221 7.673800 7.126213 8.270134 5.565837 5.113775 5.436984 2.097146 7.495209 8.338289 3.250653 1.089178 2.138944 4.981801 5.799971 3.440634 2.388718 5.948093 5.979565 4.923649 3.818723 3.380357 8.563754 7.662575 9.097743 5.666973 5.454008 6.583476 4.881590 4.983896 6.202906 6.474068 5.538583 5.225747 3.065823 7.828446 9.208694 0.000000 C21H25N 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 0 0 0 0 0 0 0 0 0 0 266.23139999999984 AuxInfo=1/0/N:2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;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/rA:47nN0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.9161,-1.5761,-1.0004;-2.3181,-1.9761,-.8352;-3.1177,-1.0661,.0723;-3.3164,.3153,-.2498;-4.1086,1.1257,.6276;5.8763,.6977,.2529;-.1807,-1.5569,.2673;-3.687,-1.5786,1.2184;-2.7661,.9218,-1.4119;-.2544,-2.3968,-2.0076;-4.6703,.5473,1.7962;-4.4643,-.7775,2.0857;-4.3191,2.493,.3081;5.939,1.4913,-1.0726;7.0412,-.3168,.3056;5.986,1.6751,1.4464;1.1106,-.805,.1501;-2.9941,2.2486,-1.6937;-3.7771,3.0448,-.8271;4.5978,-.0212,.3292;2.3106,-1.3102,.4701;3.5374,-.5981,.3891;-2.3952,-3.0118,-.4561;-2.7715,-1.9782,-1.8329;-.8123,-1.051,1.0045;.0025,-2.5797,.6493;-3.5337,-2.6247,1.463;-2.1337,.3323,-2.0611;-.7761,-2.3011,-2.9634;-.2313,-3.4685,-1.7332;.7746,-2.061,-2.1442;-5.2659,1.1707,2.4549;-4.8937,-1.2172,2.9789;-4.9201,3.0974,.9797;5.1226,2.2149,-1.1311;5.8634,.8203,-1.9315;6.8876,2.033,-1.1386;7.0159,-.8901,1.2354;6.9844,-1.0181,-.5302;7.9985,.2105,.2504;6.9351,2.2178,1.3977;5.1705,2.4019,1.4297;5.944,1.1359,2.3956;1.0319,.2147,-.2169;-2.5638,2.6915,-2.5851;-3.9455,4.0902,-1.06;2.3728,-2.3393,.8215; 0.4620904 0.1006294 0.0940400 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= 654 653 654 654 654 MxSgAt= 47 MxSgA2= 47. 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 NBasis= 634 RedAO= T EigKep= 1.04D-06 NBF= 634 NBsUse= 629 1.00D-06 EigRej= 7.98D-07 NBFU= 629 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= 654 654 654 654 654 MxSgAt= 47 MxSgA2= 47. 1 8.54125842e-02 -8.33270277e-02 -2.93544872e-02 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 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.000735111 0.001613469 -0.003181546 -0.007063347 0.001892718 0.000388663 -0.000555734 -0.001085924 -0.001490421 -0.000282126 -0.003664059 -0.003008116 0.000208797 0.003906027 0.003211032 -0.003004902 0.000204282 0.001163003 0.004364005 0.001015524 0.005196920 -0.002557792 -0.003166611 0.004285449 -0.000964940 -0.004599167 -0.003077905 0.000175765 -0.004525058 -0.007438577 0.000810881 0.004938128 0.002315980 -0.002304176 -0.002168831 0.004575109 0.000156811 0.004104241 0.003564295 0.001011507 0.003677311 -0.004005224 0.001152861 -0.004846336 -0.002270618 0.004061779 0.000350029 0.003923588 -0.000084939 0.002586587 0.000643676 0.002379674 0.001696867 -0.004781780 0.002278148 0.003651688 -0.003515421 0.001598707 -0.000130076 -0.000578219 0.004584761 -0.003107790 -0.000714534 -0.003997402 -0.000281714 0.001931490 0.000023236 -0.001679446 0.000681169 -0.000202669 0.000452966 -0.000843247 -0.000622050 0.000935524 0.000364052 -0.001196530 -0.001679089 0.000480290 -0.000416193 -0.001005456 0.000542625 -0.000367588 -0.000918238 0.000071537 -0.001084755 0.000684099 -0.001113055 -0.001335158 -0.001867350 0.002407831 0.001386911 -0.000337404 -0.000162676 0.000207962 0.001263977 0.000576644 -0.000613885 -0.000132975 0.001587409 -0.000023910 0.000970407 0.000952073 -0.000410713 0.001560800 0.001031305 -0.001409583 -0.000435869 -0.001196191 0.001901543 -0.000374317 -0.000623147 -0.000327953 -0.001060293 0.001563977 -0.001403416 0.000098158 -0.001307725 0.001929075 0.000090602 -0.000608583 0.001715575 -0.000287183 -0.000998138 -0.000496059 0.001786516 0.000590326 -0.000578904 -0.001406017 0.001139993 -0.000121897 0.001039435 -0.000754647 0.000606788 0.000159839 -0.001606510 0.000655187 0.001345062 -0.000707092 -0.000518463 -0.001265055 0.000794938 0.007438577 0.002235923 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -870.243194851915 -870.243195928664 -0.000001076749 -870.243195931957 -0.000000003293 -870.243195939300 -0.000000007343 -870.243195939906 -0.000000000606 -870.243195940111 -0.000000000205 -870.243195940129 -0.000000000018 -870.243195940182 -0.000000000054 -870.243195940 8 8.661249160107e+02 -5.218989251928e+03 1.882037386960e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245848878 LenY= 4245417886 Requested convergence on RMS density matrix=1.00D-08 within 128 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. (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT526953.600S Thu Dec 8 23:58:24 2022 Mulliken charges: 1 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 N C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H 0.274934 -0.490556 0.421417 0.289165 0.159261 0.658127 -0.867114 -0.109899 -0.217376 -0.342479 -0.177061 -0.395294 0.075927 -0.535919 -0.542592 -0.551134 0.115256 -0.454341 -0.317923 -0.052426 -0.500887 0.131944 0.109181 0.151808 0.209463 0.128089 0.107323 0.157038 0.130395 0.120951 0.161639 0.115378 0.122252 0.115439 0.144034 0.143467 0.137413 0.145020 0.143425 0.135791 0.134702 0.145238 0.144756 0.145190 0.119787 0.122681 0.138507 -0.00000 -14.31183 -10.20850 -10.20331 -10.19871 -10.18893 -10.18810 -10.18751 -10.18734 -10.18683 -10.17905 -10.17881 -10.17847 -10.17806 -10.17776 -10.17707 -10.17594 -10.17303 -10.16409 -10.16400 -10.16382 -10.16263 -10.16031 -0.93289 -0.87924 -0.83501 -0.82862 -0.80799 -0.78711 -0.74601 -0.74460 -0.73592 -0.70126 -0.69379 -0.69184 -0.69155 -0.63264 -0.62237 -0.61821 -0.59647 -0.57933 -0.56738 -0.52075 -0.51521 -0.50580 -0.50046 -0.48207 -0.47783 -0.47391 -0.45986 -0.44965 -0.44539 -0.44514 -0.43651 -0.42487 -0.42163 -0.40801 -0.39889 -0.39803 -0.39744 -0.39727 -0.38855 -0.37803 -0.37611 -0.37160 -0.36824 -0.36783 -0.35939 -0.34735 -0.34531 -0.34274 -0.33343 -0.33145 -0.31991 -0.28732 -0.26175 -0.25185 -0.23225 -0.22771 -0.21970 -0.05190 -0.02768 -0.02216 -0.00114 0.00257 0.00876 0.01060 0.01214 0.01930 0.02480 0.02636 0.03088 0.03144 0.03623 0.03896 0.04432 0.04763 0.04952 0.05410 0.05631 0.05709 0.05980 0.06197 0.06683 0.06786 0.07061 0.07243 0.07562 0.08048 0.08201 0.08400 0.08699 0.08785 0.09586 0.09920 0.10077 0.10355 0.10600 0.10673 0.11268 0.11748 0.11892 0.12149 0.12747 0.13254 0.13325 0.13642 0.14040 0.14268 0.14797 0.15123 0.15307 0.15605 0.15793 0.16105 0.16311 0.16553 0.16686 0.16934 0.17348 0.17726 0.17887 0.18243 0.18490 0.18652 0.19015 0.19054 0.19439 0.19868 0.20203 0.20368 0.20710 0.21024 0.21115 0.21431 0.21503 0.21725 0.22016 0.22181 0.22385 0.22740 0.22991 0.23361 0.23457 0.23814 0.23971 0.24251 0.24291 0.24508 0.24826 0.24913 0.25112 0.25484 0.25603 0.25697 0.25815 0.26071 0.26189 0.26634 0.26978 0.27435 0.27963 0.28069 0.28326 0.28626 0.28843 0.29138 0.29486 0.29716 0.30077 0.30203 0.30536 0.31204 0.31521 0.31995 0.32617 0.32785 0.33279 0.33795 0.34111 0.34770 0.34895 0.35255 0.36045 0.37168 0.37239 0.38319 0.38748 0.39186 0.39991 0.41210 0.42629 0.42753 0.43139 0.44062 0.44771 0.45561 0.46882 0.47201 0.47323 0.47836 0.48250 0.49097 0.49727 0.51015 0.51324 0.51841 0.52858 0.53324 0.53806 0.54233 0.54869 0.55053 0.55298 0.56144 0.56180 0.56472 0.57111 0.57922 0.58786 0.59020 0.59085 0.59497 0.60190 0.60808 0.61681 0.62204 0.62491 0.62957 0.63284 0.63622 0.64219 0.64560 0.64760 0.64868 0.65537 0.65768 0.66252 0.66529 0.67065 0.67680 0.68170 0.69202 0.69688 0.69884 0.70115 0.70189 0.70544 0.71258 0.71413 0.71994 0.72220 0.72628 0.72997 0.73312 0.73428 0.73874 0.74025 0.75219 0.75553 0.75931 0.76407 0.76423 0.77088 0.77290 0.78141 0.78925 0.79596 0.80132 0.80350 0.81078 0.81514 0.81877 0.83417 0.83626 0.84160 0.84991 0.85487 0.86294 0.86902 0.87926 0.88273 0.88948 0.90760 0.91305 0.92035 0.93106 0.93920 0.94600 0.94638 0.95849 0.96277 0.96703 0.97342 0.98678 0.99498 1.00237 1.00872 1.01762 1.02035 1.03390 1.04013 1.04804 1.05918 1.06683 1.07653 1.08284 1.09111 1.09994 1.10614 1.11233 1.12233 1.13218 1.14177 1.14995 1.15808 1.16736 1.18452 1.18683 1.21086 1.22256 1.23542 1.25835 1.26438 1.28021 1.29296 1.30213 1.33680 1.34488 1.35338 1.36989 1.38309 1.38778 1.42041 1.43673 1.44207 1.44694 1.45224 1.45549 1.45788 1.46443 1.46874 1.47722 1.47953 1.49076 1.49670 1.50400 1.50586 1.50871 1.51098 1.52263 1.53182 1.54910 1.55163 1.55496 1.56024 1.56624 1.56826 1.57393 1.57876 1.58475 1.59169 1.60037 1.60448 1.61601 1.62154 1.62502 1.62661 1.63969 1.64493 1.64673 1.65723 1.66029 1.66431 1.66753 1.68162 1.69278 1.70987 1.71003 1.71248 1.72264 1.72717 1.73158 1.73476 1.74596 1.74807 1.74991 1.75607 1.76239 1.77616 1.78005 1.78444 1.79336 1.80154 1.81461 1.81908 1.83742 1.84374 1.85302 1.86591 1.87618 1.89110 1.89410 1.90617 1.91236 1.91734 1.92257 1.92765 1.93730 1.94081 1.94640 1.95611 1.96095 1.97011 1.97453 1.97824 1.98081 1.98537 2.00011 2.01716 2.02441 2.03962 2.06478 2.07217 2.07954 2.08913 2.09679 2.10125 2.10990 2.11675 2.13110 2.13760 2.15679 2.16515 2.17584 2.18549 2.18904 2.19862 2.19894 2.21018 2.22018 2.24229 2.24752 2.26916 2.28381 2.29108 2.30588 2.32277 2.35815 2.37262 2.39310 2.39852 2.40607 2.40802 2.41045 2.41414 2.43860 2.44218 2.45236 2.46964 2.47128 2.47854 2.48495 2.48617 2.50212 2.51251 2.52856 2.53437 2.53901 2.54045 2.54589 2.54701 2.55534 2.56866 2.57233 2.57945 2.59248 2.61410 2.61751 2.63580 2.64841 2.65218 2.66246 2.66676 2.67415 2.68400 2.69240 2.69820 2.70868 2.71345 2.71519 2.71997 2.72292 2.73278 2.73444 2.74587 2.74798 2.75364 2.75869 2.76761 2.77486 2.78552 2.79845 2.80289 2.81758 2.82590 2.83944 2.84846 2.85911 2.87255 2.87947 2.88687 2.89389 2.90141 2.90674 2.91652 2.92164 2.93018 2.94395 2.95503 2.96852 2.97717 2.98612 2.99844 3.00864 3.01775 3.03251 3.04306 3.05139 3.07544 3.09033 3.09611 3.11098 3.14737 3.15655 3.18121 3.19145 3.20166 3.21715 3.22874 3.26996 3.28923 3.32806 3.35784 3.39514 3.40139 3.42034 3.46847 3.49223 3.52546 3.55364 3.57544 3.58220 3.59653 3.60368 3.64055 3.64751 3.69600 3.72774 3.76322 3.77147 3.79143 3.79181 3.80185 3.80705 3.82718 3.82744 3.83019 3.84796 3.85828 3.88397 3.97450 4.03809 4.04649 4.06310 4.12560 4.18149 4.23284 4.28479 4.28672 4.29344 4.34123 4.41829 4.44111 4.83436 4.84522 4.87926 4.88862 23.50785 23.57103 23.78029 23.81360 23.83071 23.89128 23.91728 23.92526 23.95938 23.96277 23.96363 23.97160 23.97762 24.00749 24.00900 24.11932 24.13021 24.19015 24.19998 24.23497 25.14335 35.54457 1-A. Mulliken charges: 1 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 N C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H 0.269545 -0.534420 0.573826 0.258232 0.179900 0.662497 -0.831237 -0.071697 -0.354906 -0.345864 -0.017524 -0.566366 0.156714 -0.533126 -0.553985 -0.542108 0.021404 -0.532116 -0.311338 -0.109710 -0.446734 0.182203 0.113609 0.145444 0.209406 0.125656 0.108976 0.154945 0.131219 0.121944 0.162101 0.118278 0.125551 0.117067 0.144401 0.143939 0.136546 0.147124 0.145781 0.138493 0.135259 0.145176 0.145835 0.143705 0.121748 0.124421 0.140186 -0.00000 1.14246891e-01 -9.05933366e-02 -1.46415490e-02 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.2904 -0.2303 -0.0372 0.3725 -128.9578 -126.6407 -131.7337 1.7481 -4.8828 -1.1149 0.1529 2.4701 -2.6230 1.7481 -4.8828 -1.1149 99.3767 6.7631 -7.2691 -18.9397 34.6372 34.6549 -15.7381 -3.6936 -2.6045 -1.3232 -13002.5803 -2178.5460 -1226.6079 90.5555 -189.3105 -61.1033 -34.9908 -37.5512 -1.1090 -2492.5217 -2370.9398 -560.8107 29.1735 -5.7650 2.6209 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 1-A -870.2431959 5.437E-9 7.053E-7 -0.2266874,0.0215453,0.2051421,1.6017275,-3.9346138,1.0274339 C01 [X(C21H25N1)] 0.0347666 -0.139996 -0.0258125 -0.000002746 0.000000200 0.000000503 0.000001021 0.000000138 -0.000000571 0.000000222 -0.000000310 0.000001001 0.000000984 -0.000000214 0.000000055 0.000000057 0.000001186 0.000000645 -0.000001648 -0.000003132 0.000000572 0.000002280 0.000000568 0.000001051 -0.000001717 0.000000012 -0.000000923 -0.000000072 0.000000264 -0.000001243 0.000000936 -0.000001349 -0.000001293 0.000000246 0.000000590 -0.000000099 0.000000411 0.000000142 0.000000417 0.000000084 0.000000013 0.000000599 -0.000000498 0.000000246 -0.000001735 0.000001293 0.000000315 0.000001175 0.000000418 0.000000652 0.000000127 0.000000230 0.000000465 0.000001161 0.000000704 0.000000792 -0.000000109 0.000000435 -0.000000157 -0.000001121 0.000001099 0.000001428 -0.000000769 -0.000000211 -0.000000793 0.000000209 -0.000000734 -0.000000564 0.000000550 0.000000265 0.000000012 -0.000000378 -0.000000733 0.000000564 0.000000396 -0.000000269 -0.000000044 -0.000000120 -0.000000638 0.000000317 -0.000000098 0.000000194 0.000000324 0.000000237 -0.000000039 0.000000276 0.000000104 -0.000000118 0.000000075 0.000000150 -0.000000400 -0.000000036 0.000000104 -0.000000120 -0.000000080 -0.000000318 0.000000075 0.000000481 -0.000000208 -0.000000124 0.000000301 0.000000078 0.000000419 0.000000407 -0.000000250 0.000000158 -0.000000450 0.000000465 -0.000000487 -0.000000407 0.000000207 -0.000000050 -0.000000607 0.000000186 -0.000000592 -0.000000459 0.000000184 0.000000014 -0.000000300 0.000000110 -0.000000126 -0.000000545 0.000000637 0.000000004 -0.000000318 -0.000000022 -0.000000164 -0.000000071 0.000000096 -0.000000150 -0.000000283 0.000000130 0.000000186 0.000000198 0.000000102 0.000000252 0.000000273 -0.000000312 0.000000439 0.000000240 -0.000000328 -0.000000796 -0.000000361 -0.000001355 266.23139999999984 AuxInfo=1/0/N:2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;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/rA:47nN0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.8152,-.8021,-.521;-3.0882,-.3161,.0234;-2.9527,.8862,.9329;-2.4284,2.1281,.4486;-2.351,3.245,1.3433;5.1131,-2.8896,-1.2403;-.875,-1.2165,.5242;-3.3627,.7951,2.2458;-1.9853,2.3069,-.8904;-2.0368,-1.8514,-1.5087;-2.7857,3.0957,2.6866;-3.2817,1.8958,3.129;-1.8432,4.4821,.8665;5.2336,-2.2752,-2.654;5.4736,-4.3916,-1.295;6.0772,-2.1602,-.2757;.5208,-1.3518,-.0048;-1.5031,3.5211,-1.3205;-1.4295,4.6211,-.436;3.7343,-2.7346,-.7586;1.2671,-2.4599,.1076;2.6005,-2.5904,-.3655;-3.6194,-1.1165,.5705;-3.7229,-.052,-.83;-.8809,-.4404,1.2963;-1.1948,-2.1573,1.0123;-3.7573,-.147,2.6125;-2.0008,1.4619,-1.5646;-2.6587,-1.4682,-2.322;-2.539,-2.739,-1.0794;-1.0832,-2.1737,-1.9298;-2.7199,3.947,3.3562;-3.6126,1.7837,4.1553;-1.7887,5.321,1.5527;4.982,-1.2122,-2.6383;4.5605,-2.7756,-3.354;6.2586,-2.3833,-3.0217;5.3944,-4.8468,-.3049;4.8046,-4.9276,-1.9724;6.5004,-4.5165,-1.652;7.1081,-2.2678,-.627;5.8398,-1.0952,-.2206;6.0095,-2.578,.7315;.9248,-.4741,-.502;-1.1693,3.6353,-2.3459;-1.0439,5.5714,-.7879;.8407,-3.3356,.5951; Gaussian 16 GINC-DEPAZ13 APULGAR Optimization terbinafine CONF32 gas EM64L-G16RevC.01 135 C1[X(C21H25N)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 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 0 0 0 0 0 0 0 0 0 0 266.23139999999984 AuxInfo=1/0/N:2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;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/rA:47nN0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.8152,-.8021,-.521;-3.0882,-.3161,.0234;-2.9527,.8862,.9329;-2.4284,2.1281,.4486;-2.351,3.245,1.3433;5.1131,-2.8896,-1.2403;-.875,-1.2165,.5242;-3.3627,.7951,2.2458;-1.9853,2.3069,-.8904;-2.0368,-1.8514,-1.5087;-2.7857,3.0957,2.6866;-3.2817,1.8958,3.129;-1.8432,4.4821,.8665;5.2336,-2.2752,-2.654;5.4736,-4.3916,-1.295;6.0772,-2.1602,-.2757;.5208,-1.3518,-.0048;-1.5031,3.5211,-1.3205;-1.4295,4.6211,-.436;3.7343,-2.7346,-.7586;1.2671,-2.4599,.1076;2.6005,-2.5904,-.3655;-3.6194,-1.1165,.5705;-3.7229,-.052,-.83;-.8809,-.4404,1.2963;-1.1948,-2.1573,1.0123;-3.7573,-.147,2.6125;-2.0008,1.4619,-1.5646;-2.6587,-1.4682,-2.322;-2.539,-2.739,-1.0794;-1.0832,-2.1737,-1.9298;-2.7199,3.947,3.3562;-3.6126,1.7837,4.1553;-1.7887,5.321,1.5527;4.982,-1.2122,-2.6383;4.5605,-2.7756,-3.354;6.2586,-2.3833,-3.0217;5.3944,-4.8468,-.3049;4.8046,-4.9276,-1.9724;6.5004,-4.5165,-1.652;7.1081,-2.2678,-.627;5.8398,-1.0952,-.2206;6.0095,-2.578,.7315;.9248,-.4741,-.502;-1.1693,3.6353,-2.3459;-1.0439,5.5714,-.7879;.8407,-3.3356,.5951; Optimization terbinafine CONF32 gas 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 38 39 40 41 42 43 44 45 46 47 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/apulgar/almacen/pesticidas/G2-G4/terbinafine/gaussian/gas/CONF32/opt-b3lyp-pople.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 R40 R41 R42 R43 R44 R45 R46 R47 R48 1 1 1 2 2 2 3 3 4 4 5 5 6 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 12 13 13 14 14 14 15 15 15 16 16 16 17 17 18 18 19 20 21 21 2 7 10 3 23 24 4 8 5 9 11 13 14 15 16 20 17 25 26 12 27 18 28 29 30 31 12 32 33 19 34 35 36 37 38 39 40 41 42 43 21 44 19 45 46 22 22 47 1.4673 1.4657 1.458 1.5136 1.1055 1.0959 1.4324 1.3785 1.4332 1.4216 1.4197 1.4198 1.5461 1.5456 1.5466 1.4687 1.4988 1.0947 1.107 1.4135 1.0852 1.3755 1.0811 1.0931 1.1065 1.091 1.3716 1.0851 1.0842 1.3737 1.0852 1.0925 1.0925 1.0943 1.0926 1.0926 1.0943 1.0944 1.0925 1.0925 1.3408 1.0866 1.4135 1.0844 1.0843 1.2087 1.4209 1.0892 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 2 2 7 1 1 1 3 3 23 2 2 4 3 3 5 4 4 11 14 14 14 15 15 16 1 1 1 17 17 25 3 3 12 4 4 18 1 1 1 29 29 30 5 5 12 8 8 11 5 5 19 6 6 6 35 35 36 6 6 6 38 38 39 6 6 6 41 41 42 7 7 21 9 9 19 13 13 18 17 17 22 1 1 1 2 2 2 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 19 19 19 21 21 21 7 10 10 3 23 24 23 24 24 4 8 8 5 9 9 11 13 13 15 16 20 16 20 20 17 25 26 25 26 26 12 27 27 18 28 28 29 30 31 30 31 31 12 32 32 11 33 33 19 34 34 35 36 37 36 37 37 38 39 40 39 40 40 41 42 43 42 43 43 21 44 44 19 45 45 18 46 46 22 47 47 112.6814 110.9739 112.1551 114.1028 111.1402 107.0558 108.7087 109.1737 106.353 121.2171 119.5493 119.2231 118.9684 122.7902 118.2405 119.4863 119.2552 121.2583 109.6096 109.5289 109.3355 109.5749 109.4536 109.3242 111.7883 107.3982 111.676 108.5362 110.3642 106.8592 121.7743 119.1665 119.0592 120.9863 118.9907 119.992 109.7657 112.5429 109.9534 108.1556 108.2806 108.0276 120.5209 118.8672 120.6118 120.026 119.5665 120.4075 120.9516 118.6339 120.4145 110.8297 110.8487 109.9371 108.238 108.4596 108.4517 110.8526 110.854 109.9581 108.2412 108.4248 108.432 109.9123 110.8416 110.8505 108.469 108.4626 108.2293 124.2875 115.7771 119.9348 120.6338 119.7792 119.5856 119.9313 120.2356 119.8329 124.7727 118.9572 116.27 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A82 A83 A84 A85 6 20 6 20 20 22 20 22 22 21 22 21 46 46 46 46 -1 -1 -2 -2 179.1897 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 181.6388 180.038 180.0911 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 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 7 7 7 10 10 10 2 2 2 10 10 10 2 2 2 7 7 7 1 1 23 23 24 24 2 2 8 8 2 2 4 4 3 3 9 9 3 3 5 5 4 4 13 13 4 4 11 11 15 15 15 16 16 16 20 20 20 14 14 14 16 16 16 20 20 20 14 14 14 15 15 15 20 20 20 14 14 15 15 16 16 1 1 25 25 26 26 3 3 27 27 4 4 28 28 5 5 32 32 5 5 34 34 7 7 44 44 9 9 45 45 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 9 9 9 9 11 11 11 11 13 13 13 13 17 17 17 17 18 18 18 18 2 2 2 2 2 2 7 7 7 7 7 7 10 10 10 10 10 10 3 3 3 3 3 3 4 4 4 4 8 8 8 8 5 5 5 5 9 9 9 9 11 11 11 11 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 21 21 21 21 21 21 17 17 17 17 17 17 12 12 12 12 18 18 18 18 12 12 12 12 19 19 19 19 21 21 21 21 19 19 19 19 3 23 24 3 23 24 17 25 26 17 25 26 29 30 31 29 30 31 4 8 4 8 4 8 5 9 5 9 12 27 12 27 11 13 11 13 18 28 18 28 12 32 12 32 19 34 19 34 35 36 37 35 36 37 35 36 37 38 39 40 38 39 40 38 39 40 41 42 43 41 42 43 41 42 43 17 47 17 47 17 47 21 44 21 44 21 44 11 33 11 33 19 45 19 45 8 33 8 33 18 46 18 46 22 47 22 47 13 46 13 46 60.1799 -63.1692 -178.9156 -173.0979 63.553 -52.1933 -164.5105 -45.5615 71.2846 69.4003 -171.6506 -54.8046 58.8377 -61.6704 177.8538 -174.1506 65.3413 -55.1345 61.9227 -119.2621 -173.4215 5.3937 -57.7967 121.0185 178.5218 -1.1087 -0.2971 -179.9276 -178.7621 1.3231 0.0769 -179.8379 0.3855 -179.4548 -179.9671 0.1926 179.2028 -2.8204 -0.4303 177.5465 -0.2555 179.82 179.5815 -0.343 0.1074 -179.9719 -179.7299 0.1907 179.9569 59.7448 -60.1503 -59.7952 179.9927 60.0976 59.9771 -60.235 179.8699 -179.9672 -59.7323 60.1553 59.813 -179.9521 -60.0645 -60.0595 60.1754 -179.9371 -60.1061 59.79 -179.9998 60.1629 -179.941 -59.7308 -179.8853 -59.9893 60.2209 -43.6826 136.3702 -163.7752 16.2775 76.2399 -103.7073 -125.1321 55.1706 116.5955 -63.1018 -0.1957 -179.8929 0.0593 -179.8786 179.9741 0.0363 0.3682 179.9344 -177.5885 1.9776 0.0321 179.9693 179.9552 -0.1075 -0.1801 179.9825 179.9006 0.0633 -178.6379 1.266 1.0476 -179.0486 -0.0574 179.7806 -179.6244 0.2137 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. local minimum 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. -0.00002 0.00255 0.00256 0.00390 0.00391 0.00412 0.00508 0.00563 0.00615 0.01338 0.01401 0.01487 0.01563 0.01661 0.01785 0.01845 0.01902 0.01969 0.02149 0.02250 0.02308 0.02357 0.02439 0.02517 0.02692 0.02720 0.02760 0.02917 0.03176 0.03975 0.04532 0.04539 0.04546 0.04597 0.04602 0.04664 0.04707 0.04710 0.05165 0.05226 0.05292 0.05554 0.06014 0.06170 0.06240 0.06854 0.08876 0.08966 0.09186 0.11062 0.11095 0.11324 0.11856 0.11948 0.11966 0.12121 0.12157 0.12216 0.12305 0.12375 0.12576 0.12591 0.12622 0.12852 0.13235 0.13499 0.14220 0.14922 0.14934 0.15330 0.15739 0.16323 0.16554 0.17204 0.17498 0.17545 0.18091 0.18554 0.18841 0.19054 0.19457 0.19746 0.19867 0.20336 0.21753 0.22894 0.24775 0.26834 0.26982 0.27348 0.27915 0.28025 0.28925 0.29363 0.29812 0.30284 0.30509 0.32139 0.32804 0.33026 0.33038 0.33184 0.33232 0.33249 0.33485 0.33501 0.33719 0.33874 0.34106 0.34115 0.34317 0.34544 0.34742 0.35247 0.35299 0.35401 0.35490 0.35537 0.35616 0.35654 0.35819 0.36109 0.36734 0.37033 0.38792 0.39326 0.39879 0.42794 0.46106 0.48208 0.48569 0.49845 0.50733 0.59801 1.04656 Angle between quadratic step and forces= 65.34 degrees. 1 2 3 0.04178565 0.00098776 0.00000025 0.00055632 0.00000116 0.00000114 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 R40 R41 R42 R43 R44 R45 R46 R47 R48 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 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 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 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 2.77285 2.76973 2.75525 2.86031 2.08917 2.07093 2.70679 2.60499 2.70833 2.68648 2.68292 2.68300 2.92175 2.92079 2.92256 2.77546 2.83233 2.06876 2.09201 2.67117 2.05078 2.59923 2.04302 2.06573 2.09098 2.06172 2.59201 2.05048 2.04876 2.59585 2.05071 2.06456 2.06460 2.06802 2.06470 2.06469 2.06791 2.06812 2.06448 2.06451 2.53368 2.05342 2.67107 2.04924 2.04898 2.28406 2.68504 2.05825 1.96666 1.93686 1.95748 1.99147 1.93976 1.86848 1.89733 1.90544 1.85621 2.11564 2.08653 2.08084 2.07639 2.14309 2.06369 2.08543 2.08140 2.11636 1.91305 1.91164 1.90826 1.91244 1.91033 1.90807 1.95107 1.87445 1.94911 1.89431 1.92622 1.86504 2.12536 2.07985 2.07798 2.11161 2.07678 2.09426 1.91577 1.96424 1.91905 1.88767 1.88985 1.88544 2.10349 2.07462 2.10507 2.09485 2.08683 2.10151 2.11100 2.07055 2.10163 1.93434 1.93467 1.91876 1.88911 1.89298 1.89284 1.93474 1.93477 1.91913 1.88917 1.89237 1.89250 1.91833 1.93455 1.93471 1.89314 1.89303 1.88896 2.16923 2.02069 2.09326 2.10546 2.09054 2.08716 2.09320 2.09851 2.09148 2.17769 2.07620 2.02929 3.12745 3.17019 3.14226 3.14318 1.05034 -1.10251 -3.12267 -3.02113 1.10921 -0.91095 -2.87125 -0.79520 1.24415 1.21126 -2.99587 -0.95652 1.02691 -1.07635 3.10413 -3.03950 1.14042 -0.96228 1.08076 -2.08152 -3.02678 0.09414 -1.00874 2.11217 3.11579 -0.01935 -0.00519 -3.14033 -3.11999 0.02309 0.00134 -3.13876 0.00673 -3.13208 -3.14102 0.00336 3.12768 -0.04923 -0.00751 3.09877 -0.00446 3.13845 3.13429 -0.00599 0.00188 -3.14110 -3.13688 0.00333 3.14084 1.04274 -1.04982 -1.04362 3.14147 1.04890 1.04680 -1.05130 3.13932 -3.14102 -1.04252 1.04991 1.04393 -3.14076 -1.04832 -1.04824 1.05026 -3.14049 -1.04905 1.04353 -3.14159 1.05004 -3.14056 -1.04250 -3.13959 -1.04701 1.05105 -0.76240 2.38011 -2.85842 0.28410 1.33064 -1.81003 -2.18397 0.96291 2.03498 -1.10133 -0.00341 -3.13972 0.00103 -3.13947 3.14114 0.00063 0.00643 3.14045 -3.09950 0.03452 0.00056 3.14106 3.14081 -0.00188 -0.00314 3.14129 3.13986 0.00110 -3.11782 0.02210 0.01828 -3.12499 -0.00100 3.13776 -3.13504 0.00373 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00002 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00000 0.00015 -0.00016 0.00001 -0.00002 -0.00002 0.00001 -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 0.00002 0.00001 0.00001 -0.00002 0.00001 0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00007 0.00005 0.00001 -0.00006 0.00001 0.00001 0.00001 0.00003 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00002 -0.00001 0.00000 0.00001 -0.00001 0.00002 -0.00009 -0.00019 0.00007 0.00029 -0.00010 -0.00003 -0.00000 0.00005 -0.00006 0.00005 -0.00002 0.00000 -0.00000 -0.00000 0.00000 0.00002 -0.00002 0.00001 0.00001 -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 -0.00002 -0.00001 -0.00003 0.00003 0.00002 0.00001 0.00000 0.00008 -0.00002 -0.00004 -0.00002 -0.00001 0.00005 0.00004 -0.00005 -0.00003 0.00001 -0.00001 0.00013 -0.00009 -0.00004 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00022 0.00008 0.00013 -0.00080 -0.00044 -0.00016 0.00018 -0.00022 -0.00020 -0.00021 -0.00012 -0.00010 -0.00011 0.00035 0.00026 0.00026 0.00022 0.00013 0.00014 0.00005 0.00004 0.00005 0.00018 0.00017 0.00018 -0.00014 -0.00000 -0.00015 -0.00002 -0.00013 0.00000 0.00023 0.00023 0.00010 0.00010 -0.00019 -0.00013 -0.00005 0.00001 -0.00007 -0.00008 -0.00007 -0.00008 0.00006 0.00010 0.00006 0.00010 0.00000 0.00001 0.00001 0.00002 0.00004 0.00003 0.00003 0.00003 -0.00012 -0.00015 -0.00013 -0.00008 -0.00011 -0.00009 -0.00037 -0.00040 -0.00038 -0.00002 -0.00001 0.00001 0.00004 0.00004 0.00007 -0.00006 -0.00005 -0.00003 0.00008 0.00009 0.00006 0.00009 0.00010 0.00008 0.00042 0.00043 0.00041 -0.05668 -0.05636 -0.05685 -0.05654 -0.05732 -0.05701 -0.00132 -0.00105 -0.00126 -0.00099 -0.00123 -0.00097 -0.00002 0.00001 -0.00008 -0.00005 0.00000 0.00001 -0.00004 -0.00003 0.00004 0.00001 0.00004 0.00001 0.00003 0.00001 0.00003 0.00001 0.00036 0.00017 0.00008 -0.00011 -0.00005 -0.00003 -0.00005 -0.00003 -0.00001 -0.00002 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00000 0.00015 -0.00016 0.00001 -0.00002 -0.00002 0.00001 -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 0.00002 0.00001 0.00001 -0.00002 0.00001 0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00007 0.00005 0.00001 -0.00006 0.00001 0.00001 0.00001 0.00003 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00002 -0.00001 0.00000 0.00001 -0.00001 0.00002 -0.00009 -0.00019 0.00007 0.00029 -0.00010 -0.00003 -0.00000 0.00005 -0.00006 0.00005 -0.00002 0.00000 -0.00000 -0.00000 0.00000 0.00002 -0.00002 0.00001 0.00001 -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 -0.00002 -0.00001 -0.00003 0.00003 0.00002 0.00001 0.00000 0.00008 -0.00002 -0.00004 -0.00002 -0.00001 0.00005 0.00004 -0.00005 -0.00003 0.00001 -0.00001 0.00013 -0.00009 -0.00004 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00022 0.00008 0.00013 -0.00080 -0.00044 -0.00017 0.00018 -0.00022 -0.00020 -0.00021 -0.00012 -0.00010 -0.00011 0.00035 0.00026 0.00026 0.00022 0.00013 0.00014 0.00005 0.00004 0.00005 0.00018 0.00017 0.00018 -0.00014 -0.00000 -0.00015 -0.00002 -0.00013 0.00000 0.00023 0.00023 0.00010 0.00010 -0.00019 -0.00013 -0.00005 0.00001 -0.00007 -0.00008 -0.00007 -0.00008 0.00006 0.00010 0.00006 0.00010 0.00000 0.00001 0.00001 0.00002 0.00004 0.00003 0.00003 0.00003 -0.00012 -0.00015 -0.00013 -0.00008 -0.00011 -0.00009 -0.00037 -0.00040 -0.00038 -0.00002 -0.00001 0.00002 0.00004 0.00004 0.00007 -0.00006 -0.00006 -0.00003 0.00008 0.00009 0.00007 0.00009 0.00010 0.00008 0.00042 0.00044 0.00041 -0.05667 -0.05636 -0.05686 -0.05655 -0.05732 -0.05701 -0.00132 -0.00105 -0.00126 -0.00099 -0.00123 -0.00097 -0.00002 0.00001 -0.00008 -0.00005 0.00000 0.00001 -0.00004 -0.00003 0.00004 0.00001 0.00004 0.00001 0.00003 0.00001 0.00003 0.00001 0.00036 0.00017 0.00008 -0.00011 -0.00005 -0.00003 -0.00005 -0.00003 2.77283 2.76971 2.75524 2.86032 2.08917 2.07093 2.70679 2.60499 2.70834 2.68649 2.68292 2.68300 2.92189 2.92063 2.92256 2.77544 2.83232 2.06877 2.09201 2.67117 2.05078 2.59924 2.04302 2.06573 2.09098 2.06173 2.59202 2.05048 2.04876 2.59585 2.05071 2.06456 2.06460 2.06804 2.06470 2.06470 2.06789 2.06813 2.06449 2.06451 2.53369 2.05343 2.67106 2.04924 2.04898 2.28406 2.68504 2.05824 1.96673 1.93691 1.95748 1.99141 1.93978 1.86848 1.89734 1.90547 1.85621 2.11564 2.08653 2.08084 2.07639 2.14311 2.06367 2.08543 2.08140 2.11635 1.91307 1.91155 1.90808 1.91251 1.91061 1.90797 1.95104 1.87445 1.94917 1.89426 1.92627 1.86502 2.12536 2.07985 2.07797 2.11161 2.07680 2.09423 1.91578 1.96425 1.91904 1.88767 1.88985 1.88543 2.10349 2.07462 2.10507 2.09485 2.08683 2.10151 2.11100 2.07055 2.10163 1.93433 1.93467 1.91873 1.88914 1.89299 1.89285 1.93475 1.93485 1.91911 1.88912 1.89235 1.89248 1.91838 1.93459 1.93466 1.89311 1.89304 1.88894 2.16936 2.02060 2.09322 2.10546 2.09054 2.08716 2.09319 2.09851 2.09148 2.17748 2.07628 2.02943 3.12665 3.16975 3.14209 3.14336 1.05012 -1.10271 -3.12288 -3.02124 1.10911 -0.91106 -2.87090 -0.79494 1.24441 1.21149 -2.99574 -0.95638 1.02696 -1.07631 3.10418 -3.03932 1.14060 -0.96210 1.08062 -2.08152 -3.02693 0.09412 -1.00887 2.11218 3.11603 -0.01912 -0.00509 -3.14023 -3.12017 0.02297 0.00129 -3.13876 0.00665 -3.13216 -3.14109 0.00328 3.12774 -0.04912 -0.00745 3.09887 -0.00446 3.13846 3.13430 -0.00597 0.00191 -3.14107 -3.13685 0.00335 3.14072 1.04260 -1.04995 -1.04370 3.14136 1.04881 1.04643 -1.05169 3.13894 -3.14104 -1.04254 1.04992 1.04397 -3.14071 -1.04825 -1.04830 1.05020 -3.14052 -1.04897 1.04362 -3.14152 1.05013 -3.14046 -1.04242 -3.13917 -1.04657 1.05146 -0.81908 2.32375 -2.91528 0.22755 1.27332 -1.86704 -2.18528 0.96186 2.03372 -1.10233 -0.00465 -3.14069 0.00102 -3.13946 3.14106 0.00058 0.00643 3.14045 -3.09954 0.03448 0.00060 3.14107 3.14085 -0.00187 -0.00311 3.14130 3.13989 0.00112 -3.11746 0.02226 0.01836 -3.12509 -0.00105 3.13773 -3.13509 0.00370 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000002 0.000001 0.208311 0.041915 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -6.936168e-07 Optimization completed on the basis of negligible forces. -- 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 R40 R41 R42 R43 R44 R45 R46 R47 R48 1 1 1 2 2 2 3 3 4 4 5 5 6 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 12 13 13 14 14 14 15 15 15 16 16 16 17 17 18 18 19 20 21 21 2 7 10 3 23 24 4 8 5 9 11 13 14 15 16 20 17 25 26 12 27 18 28 29 30 31 12 32 33 19 34 35 36 37 38 39 40 41 42 43 21 44 19 45 46 22 22 47 1.4673 1.4657 1.458 1.5136 1.1055 1.0959 1.4324 1.3785 1.4332 1.4216 1.4197 1.4198 1.5461 1.5456 1.5466 1.4687 1.4988 1.0947 1.107 1.4135 1.0852 1.3755 1.0811 1.0931 1.1065 1.091 1.3716 1.0851 1.0842 1.3737 1.0852 1.0925 1.0925 1.0943 1.0926 1.0926 1.0943 1.0944 1.0925 1.0925 1.3408 1.0866 1.4135 1.0844 1.0843 1.2087 1.4209 1.0892 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 2 2 7 1 1 1 3 3 23 2 2 4 3 3 5 4 4 11 14 14 14 15 15 16 1 1 1 17 17 25 3 3 12 4 4 18 1 1 1 29 29 30 5 5 12 8 8 11 5 5 19 6 6 6 35 35 36 6 6 6 38 38 39 6 6 6 41 41 42 7 7 21 9 9 19 13 13 18 17 17 22 1 1 1 2 2 2 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 19 19 19 21 21 21 7 10 10 3 23 24 23 24 24 4 8 8 5 9 9 11 13 13 15 16 20 16 20 20 17 25 26 25 26 26 12 27 27 18 28 28 29 30 31 30 31 31 12 32 32 11 33 33 19 34 34 35 36 37 36 37 37 38 39 40 39 40 40 41 42 43 42 43 43 21 44 44 19 45 45 18 46 46 22 47 47 112.6814 110.9739 112.1551 114.1028 111.1402 107.0558 108.7087 109.1737 106.353 121.2171 119.5493 119.2231 118.9684 122.7902 118.2405 119.4863 119.2552 121.2583 109.6096 109.5289 109.3355 109.5749 109.4536 109.3242 111.7883 107.3982 111.676 108.5362 110.3642 106.8592 121.7743 119.1665 119.0592 120.9863 118.9907 119.992 109.7657 112.5429 109.9534 108.1556 108.2806 108.0276 120.5209 118.8672 120.6118 120.026 119.5665 120.4075 120.9516 118.6339 120.4145 110.8297 110.8487 109.9371 108.238 108.4596 108.4517 110.8526 110.854 109.9581 108.2412 108.4248 108.432 109.9123 110.8416 110.8505 108.469 108.4626 108.2293 124.2875 115.7771 119.9348 120.6338 119.7792 119.5856 119.9313 120.2356 119.8329 124.7727 118.9572 116.27 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A82 A83 A84 6 20 6 20 22 20 22 21 22 46 46 46 -1 -1 -2 179.1897 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 181.6388 180.038 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 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 7 7 7 10 10 10 2 2 2 10 10 10 2 2 2 7 7 7 1 1 23 23 24 24 2 2 8 8 2 2 4 4 3 3 9 9 3 3 5 5 4 4 13 13 4 4 11 11 15 15 15 16 16 16 20 20 20 14 14 14 16 16 16 20 20 20 14 14 14 15 15 15 20 20 20 14 14 15 15 16 16 1 1 25 25 26 26 3 3 27 27 4 4 28 28 5 5 32 32 5 5 34 34 7 7 44 44 9 9 45 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 9 9 9 9 11 11 11 11 13 13 13 13 17 17 17 17 18 18 18 2 2 2 2 2 2 7 7 7 7 7 7 10 10 10 10 10 10 3 3 3 3 3 3 4 4 4 4 8 8 8 8 5 5 5 5 9 9 9 9 11 11 11 11 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 21 21 21 21 21 21 17 17 17 17 17 17 12 12 12 12 18 18 18 18 12 12 12 12 19 19 19 19 21 21 21 21 19 19 19 3 23 24 3 23 24 17 25 26 17 25 26 29 30 31 29 30 31 4 8 4 8 4 8 5 9 5 9 12 27 12 27 11 13 11 13 18 28 18 28 12 32 12 32 19 34 19 34 35 36 37 35 36 37 35 36 37 38 39 40 38 39 40 38 39 40 41 42 43 41 42 43 41 42 43 17 47 17 47 17 47 21 44 21 44 21 44 11 33 11 33 19 45 19 45 8 33 8 33 18 46 18 46 22 47 22 47 13 46 13 60.1799 -63.1692 -178.9156 -173.0979 63.553 -52.1933 -164.5105 -45.5615 71.2846 69.4003 -171.6506 -54.8046 58.8377 -61.6704 177.8538 -174.1506 65.3413 -55.1345 61.9227 -119.2621 -173.4215 5.3937 -57.7967 121.0185 178.5218 -1.1087 -0.2971 -179.9276 -178.7621 1.3231 0.0769 -179.8379 0.3855 -179.4548 -179.9671 0.1926 179.2028 -2.8204 -0.4303 177.5465 -0.2555 179.82 179.5815 -0.343 0.1074 -179.9719 -179.7299 0.1907 179.9569 59.7448 -60.1503 -59.7952 179.9927 60.0976 59.9771 -60.235 179.8699 -179.9672 -59.7323 60.1553 59.813 -179.9521 -60.0645 -60.0595 60.1754 -179.9371 -60.1061 59.79 -179.9998 60.1629 -179.941 -59.7308 -179.8853 -59.9893 60.2209 -43.6826 136.3702 -163.7752 16.2775 76.2399 -103.7073 -125.1321 55.1706 116.5955 -63.1018 -0.1957 -179.8929 0.0593 -179.8786 179.9741 0.0363 0.3682 179.9344 -177.5885 1.9776 0.0321 179.9693 179.9552 -0.1075 -0.1801 179.9825 179.9006 0.0633 -178.6379 1.266 1.0476 -179.0486 -0.0574 179.7806 -179.6244 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 656 A 634 A 634 992 656 79 79 1600.6266654404 47 47 47 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0429124232 0.000000 1.467328 0.000000 2.501611 1.513613 0.000000 3.146793 2.567108 1.432372 0.000000 4.487974 3.868686 2.468647 1.433186 0.000000 7.271665 8.688020 9.167144 9.214348 10.001069 0.000000 1.465679 2.441283 2.984173 3.688552 4.770192 6.463002 0.000000 3.549836 2.499862 1.378500 2.424855 2.799971 9.877788 3.633130 0.000000 3.135497 2.988500 2.505648 1.421624 2.450137 8.804197 3.955803 3.744105 0.000000 1.458015 2.410481 3.780915 4.452102 5.848646 7.229856 2.426067 4.781169 4.204352 0.000000 5.140378 4.338694 2.825806 2.464296 1.419739 10.659979 5.188631 2.412425 3.749349 6.529632 0.000000 4.769879 3.817664 2.439347 2.822541 2.423838 10.604872 4.718435 1.413524 4.243202 6.091021 1.371635 0.000000 5.463472 5.028279 3.763766 2.461427 1.419780 10.352385 5.790478 4.219653 2.799744 6.767091 2.474538 3.725199 0.000000 7.510385 8.958746 9.480267 9.365976 10.196936 1.546121 6.966850 10.360142 8.730353 7.372206 11.030752 11.106315 10.398909 0.000000 8.161481 9.573489 10.189213 10.391702 11.247306 1.545615 7.327673 10.840661 10.033357 7.931139 11.837546 11.651488 11.702590 2.526546 0.000000 8.012177 9.353861 9.606239 9.552977 10.142577 1.546551 7.061415 10.208073 9.237797 8.212921 10.721482 10.753214 10.399923 2.526054 2.526358 0.000000 2.454672 3.754749 4.237077 4.583980 5.585252 4.998089 1.498806 4.975600 4.522223 3.008709 6.160896 5.901400 6.354724 5.484653 5.952728 5.621458 0.000000 4.407605 4.363760 3.757877 2.434396 2.809154 9.212933 5.122777 4.858800 1.375456 5.402235 4.228859 5.059952 2.412973 8.986596 10.549187 9.530476 5.438025 0.000000 5.437609 5.228574 4.259486 2.827598 2.430814 9.993176 5.942024 5.056437 2.423028 6.588880 3.730525 4.854570 1.373663 9.842557 11.385033 10.117428 6.298011 1.413468 0.000000 5.881219 7.280654 7.790237 7.942476 8.786664 1.468710 5.019593 8.476706 7.625540 5.886279 9.400682 9.261689 9.264566 2.459943 2.461320 2.460126 3.578744 8.178079 8.993132 0.000000 3.555872 4.855085 5.448327 5.901111 6.867591 4.097977 2.511616 6.050036 5.856348 3.728065 7.344463 6.985168 7.644772 4.836710 4.836623 4.834653 1.340766 6.744368 7.596605 2.629269 0.000000 4.766635 6.138821 6.679097 6.943827 7.841494 2.677316 3.841650 7.337656 6.729675 4.832952 8.405811 8.181529 8.443051 3.502806 3.516069 3.504346 2.447343 7.423069 8.261445 1.208673 1.420864 0.000000 2.131985 1.105540 2.141665 3.458435 4.607446 9.092899 2.746649 2.554773 4.064960 2.714493 4.787003 3.966593 5.881087 9.492979 9.843230 9.789297 4.186622 5.437091 6.223248 7.646113 5.088954 6.460370 0.000000 2.072992 1.095887 2.140460 2.839633 4.180428 9.289514 3.361631 3.210692 2.930377 2.557630 4.811814 4.434298 5.193278 9.406801 10.179507 10.039578 4.514297 4.234970 5.220441 7.925370 5.619355 6.829664 1.762220 0.000000 2.075144 2.551050 2.486821 3.116187 3.968066 6.954179 1.094742 2.930522 3.680848 3.345924 4.250326 3.818465 5.034107 7.507179 7.918666 7.337814 2.118518 4.788337 5.377777 5.548524 3.178861 4.416315 2.912655 3.570582 0.000000 2.138314 2.820097 3.515594 4.494919 5.534539 6.738005 1.107047 3.865027 4.916711 2.675489 5.738298 5.026243 6.672635 7.401374 7.401553 7.385212 2.150991 6.146662 6.935387 5.269350 2.640286 4.060849 2.675310 3.770627 1.768327 0.000000 3.744311 2.679525 2.129813 3.409493 3.885080 10.052426 3.716557 1.085225 4.629418 4.780235 3.385898 2.160074 5.304806 10.634969 10.885540 10.445719 5.157952 5.831377 6.119364 8.613112 6.072012 7.433781 2.264681 3.444076 3.176902 3.628865 0.000000 2.499923 2.620240 2.734081 2.163250 3.429029 8.345561 3.578387 4.101125 1.081119 3.314023 4.621520 4.884587 3.880329 8.215175 9.497465 8.946201 4.087544 2.132456 3.403028 7.152076 5.371814 6.247464 3.718495 2.407760 3.613538 4.515424 4.808606 0.000000 2.097313 2.648197 4.027933 4.545627 5.978610 7.974404 3.368346 5.146231 4.093219 1.093135 6.777302 6.435714 6.799892 7.940366 8.702509 8.998961 3.935921 5.218386 6.492148 6.702111 4.722086 5.722414 3.068145 2.316046 4.160375 3.706110 5.225170 3.097144 0.000000 2.141760 2.718170 4.166867 5.102514 6.458572 7.655315 2.767400 4.922000 5.079674 1.106498 6.948923 6.304284 7.511033 7.944049 8.184056 8.672949 3.527225 6.349785 7.471016 6.281541 3.996680 5.191006 2.553871 2.946780 3.698227 2.553551 4.672643 4.262960 1.781311 0.000000 2.098048 3.359419 4.588351 5.096249 6.456235 6.275593 2.642305 5.607682 4.687211 1.091016 7.209453 6.854604 7.259299 6.359050 6.950801 7.349027 2.637013 5.742681 6.965708 4.989529 3.123639 4.023775 3.715052 3.560705 3.667798 2.944265 5.647226 3.767377 1.770155 1.778161 0.000000 6.197172 5.423719 3.910864 3.442033 2.163443 11.367573 6.171339 3.402983 4.611160 7.599739 1.085066 2.138810 2.693232 11.751397 12.581621 11.308238 7.062238 4.851156 4.062039 10.160319 8.215687 9.213801 5.848753 5.875625 5.184038 6.714299 4.288320 5.559425 7.846673 8.025572 8.251253 0.000000 5.637805 4.664402 3.409540 3.906516 3.410889 11.273451 5.448004 2.164671 5.327340 6.912255 2.135913 1.084156 4.607442 11.878421 12.263714 11.361373 6.650051 6.119909 5.822092 9.926717 7.629148 8.841561 4.611057 5.313761 4.536879 5.590687 2.475598 5.951414 7.310314 7.000719 7.686833 2.472914 0.000000 6.464850 5.983694 4.626740 3.438504 2.161038 11.083773 6.680761 4.841679 3.884918 7.802477 2.689229 4.055346 1.085190 11.167443 12.457310 11.008349 7.230918 3.402507 2.138671 10.036921 8.483490 9.248505 6.764480 6.187792 5.838151 7.521330 5.907434 4.965453 7.865415 8.512078 8.294401 2.451055 4.755300 0.000000 7.131201 8.544957 8.950764 8.694874 9.460083 2.187554 6.656318 9.875193 7.998949 7.137781 10.356148 10.545622 9.554742 1.092518 3.486373 2.771277 5.182414 8.136191 8.943447 2.721755 4.785162 3.568855 9.181019 8.966106 7.102819 7.236978 10.250971 7.554005 7.651520 7.831173 6.181764 11.039470 11.357661 10.299999 0.000000 7.250569 8.715445 9.393321 9.346178 10.299605 2.187809 6.856852 10.338602 8.645765 6.912514 11.177124 11.196058 10.559156 1.092539 2.772155 3.486461 5.437256 8.975028 9.955235 2.724077 4.788456 3.578734 9.223139 9.077584 7.529078 7.250593 10.568637 8.013038 7.408806 7.455067 5.851713 11.967627 11.999068 11.399304 1.770412 0.000000 8.598911 10.045380 10.544052 10.385598 11.173968 2.177612 8.051337 11.420191 9.721304 8.448998 12.016834 12.130944 11.308987 1.094349 2.762432 2.761016 6.564194 9.899557 10.717077 3.408401 5.891867 4.525510 10.587048 10.481838 8.566938 8.478123 11.707506 9.226419 8.991396 9.016515 7.425603 12.702903 12.896336 12.043334 1.774354 1.774284 0.000000 8.269547 9.622392 10.201673 10.507824 11.321938 2.187449 7.291934 10.725035 10.294625 8.102099 11.787589 11.512164 11.865331 3.486717 1.092590 2.772243 6.004827 10.891746 11.671570 2.724545 4.785634 3.591832 9.794471 10.314603 7.833255 7.237872 10.693692 9.801847 8.963005 8.245121 7.193458 12.513060 12.040962 12.587046 4.338857 3.779241 3.767864 0.000000 7.934054 9.356643 10.120163 10.390467 11.357355 2.187463 7.229377 10.828208 9.980632 7.515500 11.987220 11.746168 11.865832 2.772017 1.092585 3.486716 5.916892 10.563818 11.506702 2.725474 4.788563 3.592110 9.589400 9.889141 7.946360 7.250989 10.825154 9.343796 8.233497 7.714704 6.500239 12.797308 12.387149 12.685981 3.778864 2.569028 3.112696 1.770543 0.000000 9.177456 10.601512 11.190711 11.326397 12.147461 2.177390 8.367952 11.861232 10.915434 8.944620 12.767184 12.635874 12.527386 2.762633 1.094291 2.761483 6.963098 11.347677 12.159720 3.409467 5.891805 4.535896 10.904641 11.185825 8.932547 8.478269 11.937364 10.393235 9.676215 9.230290 7.942135 13.480593 13.254861 13.257337 3.767893 3.113029 2.546580 1.773977 1.774055 0.000000 9.043519 10.401764 10.658345 10.555859 11.124220 2.177715 8.133904 11.281557 10.182729 9.196688 11.731767 11.806388 11.310143 2.760847 2.761892 1.094404 6.679745 10.399334 10.972015 3.408430 5.890133 4.526648 10.855396 11.057166 8.417957 8.463914 11.534735 9.887451 9.944933 9.669180 8.294822 12.291399 12.418503 11.895166 3.111266 3.766289 2.543526 3.113137 3.767033 2.544899 0.000000 7.666561 8.965280 9.086509 8.899517 9.400698 2.188052 6.757107 9.713087 8.558982 8.016977 10.020724 10.166990 9.556059 2.771512 3.486331 1.092477 5.329610 8.742967 9.250205 2.722180 4.783303 3.570654 9.492320 9.638730 6.920794 7.220412 10.051426 8.355866 8.762388 8.581639 7.212047 10.558656 10.806726 10.124577 2.568067 3.778782 3.111429 3.778925 4.339141 3.767070 1.774470 0.000000 8.120844 9.401329 9.610475 9.665671 10.206822 2.188176 7.020856 10.075208 9.508374 8.383794 10.647443 10.587186 10.560724 3.486344 2.771756 1.092492 5.671989 9.891854 10.417708 2.724142 4.784666 3.581098 9.740519 10.175325 7.236372 7.222017 10.239078 9.260495 9.256959 8.739647 7.586308 11.210072 11.105488 11.130157 3.778407 4.339341 3.766449 2.569049 3.779316 3.111244 1.774411 1.770242 0.000000 2.759645 4.050310 4.352474 4.349586 5.288445 4.891006 2.200833 5.248290 4.043926 3.417789 6.056258 6.041110 5.839436 5.142078 6.055328 5.426010 1.086624 4.746174 5.613207 3.615179 2.105336 2.702845 4.713065 4.678294 2.548591 3.101477 5.632905 3.665527 4.140246 4.178636 2.993233 6.907609 6.883050 6.720740 4.644326 5.162313 6.200329 6.256003 6.086838 6.982219 6.439453 4.962134 5.639319 0.000000 4.841373 4.990952 4.635603 3.415611 3.893530 9.125025 5.644929 5.827718 2.132938 5.617647 5.313252 6.120707 3.389847 8.719336 10.472041 9.507140 5.762676 1.084413 2.165037 8.194016 7.007739 7.542753 6.090054 4.734477 5.473608 6.695767 6.752041 2.454687 5.316507 6.641700 5.824584 5.917417 7.187806 4.292423 7.837263 8.657196 9.584116 10.917679 10.447602 11.214224 10.311052 8.719143 9.980516 4.967151 0.000000 6.425596 6.284892 5.343753 3.911804 3.415135 10.473854 6.915670 6.115029 3.399114 7.523555 4.608216 5.818941 2.136029 10.220484 11.916176 10.523759 7.140860 2.167574 1.084273 9.582405 8.405060 8.948438 7.294299 6.229109 6.364916 7.937046 7.185098 4.290303 7.383593 8.448850 7.828946 4.756215 6.736521 2.469036 9.260252 10.376248 11.026974 12.256633 12.076358 12.626529 11.310817 9.599548 10.884444 6.364380 2.488267 0.000000 3.836457 4.988090 5.685776 6.368769 7.351985 4.671311 2.727517 6.120249 6.483153 3.861221 7.673800 7.126213 8.270134 5.565837 5.113775 5.436984 2.097146 7.495209 8.338289 3.250653 1.089178 2.138944 4.981801 5.799971 3.440634 2.388718 5.948093 5.979565 4.923649 3.818723 3.380357 8.563754 7.662575 9.097743 5.666973 5.454008 6.583476 4.881590 4.983896 6.202906 6.474068 5.538583 5.225747 3.065823 7.828446 9.208694 0.000000 C21H25N 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 0 0 0 0 0 0 0 0 0 0 266.23139999999984 AuxInfo=1/0/N:2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;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/rA:47nN0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.9161,-1.5761,-1.0004;-2.3181,-1.9761,-.8352;-3.1177,-1.0661,.0723;-3.3164,.3153,-.2498;-4.1086,1.1257,.6276;5.8763,.6977,.2529;-.1807,-1.5569,.2673;-3.687,-1.5786,1.2184;-2.7661,.9218,-1.4119;-.2544,-2.3968,-2.0076;-4.6703,.5473,1.7962;-4.4643,-.7775,2.0857;-4.3191,2.493,.3081;5.939,1.4913,-1.0726;7.0412,-.3168,.3056;5.986,1.6751,1.4464;1.1106,-.805,.1501;-2.9941,2.2486,-1.6937;-3.7771,3.0448,-.8271;4.5978,-.0212,.3292;2.3106,-1.3102,.4701;3.5374,-.5981,.3891;-2.3952,-3.0118,-.4561;-2.7715,-1.9782,-1.8329;-.8123,-1.051,1.0045;.0025,-2.5797,.6493;-3.5337,-2.6247,1.463;-2.1337,.3323,-2.0611;-.7761,-2.3011,-2.9634;-.2313,-3.4685,-1.7332;.7746,-2.061,-2.1442;-5.2659,1.1707,2.4549;-4.8937,-1.2172,2.9789;-4.9201,3.0974,.9797;5.1226,2.2149,-1.1311;5.8634,.8203,-1.9315;6.8876,2.033,-1.1386;7.0159,-.8901,1.2354;6.9844,-1.0181,-.5302;7.9985,.2105,.2504;6.9351,2.2178,1.3977;5.1705,2.4019,1.4297;5.944,1.1359,2.3956;1.0319,.2147,-.2169;-2.5638,2.6915,-2.5851;-3.9455,4.0902,-1.06;2.3728,-2.3393,.8215; 0.4620904 0.1006294 0.0940400 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 NBasis= 634 RedAO= T EigKep= 1.04D-06 NBF= 634 NBsUse= 629 1.00D-06 EigRej= 7.98D-07 NBFU= 629 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= 654 654 654 654 654 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -870.243195939977 -870.243195940 1 8.661249154231e+02 -5.218989251694e+03 1.882037387313e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245848878 LenY= 4245417886 Requested convergence on RMS density matrix=1.00D-08 within 128 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. Using compressed storage, NAtomX= 47. Will process 48 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111111 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. 14630 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 4246732800 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=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 710000000 NMat= 141 IRICut= 352 DoRegI=T DoRafI=T 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= 0 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 141 NMatS0= 141 NMatT0= 0 NMatD0= 141 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 68.45% of shell-pairs survive, threshold= 0.20 IRatSp=68. There are 144 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 141 vectors produced by pass 0 Test12= 4.35D-14 1.00D-09 XBig12= 3.37D+02 8.72D+00. AX will form 141 AO Fock derivatives at one time. 141 vectors produced by pass 1 Test12= 4.35D-14 1.00D-09 XBig12= 7.12D+01 1.26D+00. 141 vectors produced by pass 2 Test12= 4.35D-14 1.00D-09 XBig12= 1.05D+00 9.44D-02. 141 vectors produced by pass 3 Test12= 4.35D-14 1.00D-09 XBig12= 4.41D-03 5.36D-03. 141 vectors produced by pass 4 Test12= 4.35D-14 1.00D-09 XBig12= 1.07D-05 1.67D-04. 115 vectors produced by pass 5 Test12= 4.35D-14 1.00D-09 XBig12= 1.34D-08 7.31D-06. 30 vectors produced by pass 6 Test12= 4.35D-14 1.00D-09 XBig12= 1.61D-11 4.67D-07. 3 vectors produced by pass 7 Test12= 4.35D-14 1.00D-09 XBig12= 2.09D-14 1.70D-08. InvSVY: IOpt=1 It= 1 EMax= 2.13D-14 Solved reduced A of dimension 853 with 144 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 274.11 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 319.809 1.117 272.849 -25.414 -19.473 229.675 413.741 4.819 437.398 -51.515 -48.051 375.709 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT103601.800S Fri Dec 9 01:11:04 2022 -14.31183 -10.20850 -10.20331 -10.19871 -10.18893 -10.18810 -10.18751 -10.18734 -10.18683 -10.17905 -10.17881 -10.17847 -10.17806 -10.17776 -10.17707 -10.17594 -10.17303 -10.16409 -10.16400 -10.16382 -10.16263 -10.16031 -0.93289 -0.87924 -0.83501 -0.82862 -0.80799 -0.78711 -0.74601 -0.74460 -0.73592 -0.70126 -0.69379 -0.69184 -0.69155 -0.63264 -0.62237 -0.61821 -0.59647 -0.57933 -0.56738 -0.52075 -0.51521 -0.50580 -0.50046 -0.48207 -0.47783 -0.47391 -0.45986 -0.44965 -0.44539 -0.44514 -0.43651 -0.42487 -0.42163 -0.40801 -0.39889 -0.39803 -0.39744 -0.39727 -0.38855 -0.37803 -0.37611 -0.37160 -0.36824 -0.36783 -0.35939 -0.34735 -0.34531 -0.34274 -0.33343 -0.33145 -0.31991 -0.28732 -0.26175 -0.25185 -0.23225 -0.22771 -0.21970 -0.05190 -0.02768 -0.02216 -0.00114 0.00257 0.00876 0.01060 0.01214 0.01930 0.02480 0.02636 0.03088 0.03144 0.03623 0.03896 0.04432 0.04763 0.04952 0.05410 0.05631 0.05709 0.05980 0.06197 0.06683 0.06786 0.07061 0.07243 0.07562 0.08048 0.08201 0.08400 0.08699 0.08785 0.09586 0.09920 0.10077 0.10355 0.10600 0.10673 0.11268 0.11748 0.11892 0.12149 0.12747 0.13254 0.13325 0.13642 0.14040 0.14268 0.14797 0.15123 0.15307 0.15605 0.15793 0.16105 0.16311 0.16553 0.16686 0.16934 0.17348 0.17726 0.17887 0.18243 0.18490 0.18652 0.19015 0.19054 0.19439 0.19868 0.20203 0.20368 0.20710 0.21024 0.21115 0.21431 0.21503 0.21725 0.22016 0.22181 0.22385 0.22740 0.22991 0.23361 0.23457 0.23814 0.23971 0.24251 0.24291 0.24508 0.24826 0.24913 0.25112 0.25484 0.25603 0.25697 0.25815 0.26071 0.26189 0.26634 0.26978 0.27435 0.27963 0.28069 0.28326 0.28626 0.28843 0.29138 0.29486 0.29716 0.30077 0.30203 0.30536 0.31204 0.31521 0.31995 0.32617 0.32785 0.33279 0.33795 0.34111 0.34770 0.34895 0.35255 0.36045 0.37168 0.37239 0.38319 0.38748 0.39186 0.39991 0.41210 0.42629 0.42753 0.43139 0.44062 0.44771 0.45561 0.46882 0.47201 0.47323 0.47836 0.48250 0.49097 0.49727 0.51015 0.51324 0.51841 0.52858 0.53324 0.53806 0.54233 0.54869 0.55053 0.55298 0.56144 0.56180 0.56472 0.57111 0.57922 0.58786 0.59020 0.59085 0.59497 0.60190 0.60808 0.61681 0.62204 0.62491 0.62957 0.63284 0.63622 0.64219 0.64560 0.64760 0.64868 0.65537 0.65768 0.66252 0.66529 0.67065 0.67680 0.68170 0.69202 0.69688 0.69884 0.70115 0.70189 0.70544 0.71258 0.71413 0.71994 0.72220 0.72628 0.72997 0.73312 0.73428 0.73874 0.74025 0.75219 0.75553 0.75931 0.76407 0.76423 0.77088 0.77290 0.78141 0.78925 0.79596 0.80132 0.80350 0.81078 0.81514 0.81877 0.83417 0.83626 0.84160 0.84991 0.85487 0.86294 0.86902 0.87926 0.88273 0.88948 0.90760 0.91305 0.92035 0.93106 0.93920 0.94600 0.94638 0.95849 0.96277 0.96703 0.97342 0.98678 0.99498 1.00237 1.00872 1.01762 1.02035 1.03390 1.04013 1.04804 1.05918 1.06683 1.07653 1.08284 1.09111 1.09994 1.10614 1.11233 1.12233 1.13218 1.14177 1.14995 1.15808 1.16736 1.18452 1.18683 1.21086 1.22256 1.23542 1.25835 1.26438 1.28021 1.29296 1.30213 1.33680 1.34488 1.35338 1.36989 1.38309 1.38778 1.42041 1.43673 1.44207 1.44694 1.45224 1.45549 1.45788 1.46443 1.46874 1.47722 1.47953 1.49076 1.49670 1.50400 1.50586 1.50871 1.51098 1.52263 1.53182 1.54910 1.55163 1.55496 1.56024 1.56624 1.56826 1.57393 1.57876 1.58475 1.59169 1.60037 1.60448 1.61601 1.62154 1.62502 1.62661 1.63969 1.64493 1.64673 1.65723 1.66029 1.66431 1.66753 1.68162 1.69278 1.70987 1.71003 1.71248 1.72264 1.72717 1.73158 1.73476 1.74596 1.74807 1.74991 1.75607 1.76239 1.77616 1.78005 1.78444 1.79336 1.80154 1.81461 1.81908 1.83742 1.84374 1.85303 1.86591 1.87618 1.89110 1.89410 1.90617 1.91236 1.91734 1.92257 1.92765 1.93730 1.94081 1.94640 1.95611 1.96095 1.97011 1.97453 1.97824 1.98081 1.98537 2.00011 2.01716 2.02441 2.03962 2.06478 2.07217 2.07954 2.08913 2.09679 2.10125 2.10990 2.11675 2.13110 2.13760 2.15679 2.16515 2.17584 2.18549 2.18904 2.19862 2.19894 2.21018 2.22018 2.24229 2.24752 2.26916 2.28381 2.29108 2.30588 2.32277 2.35815 2.37262 2.39310 2.39852 2.40607 2.40802 2.41045 2.41414 2.43860 2.44218 2.45236 2.46964 2.47128 2.47854 2.48495 2.48617 2.50212 2.51251 2.52856 2.53437 2.53901 2.54045 2.54589 2.54701 2.55534 2.56866 2.57233 2.57945 2.59248 2.61410 2.61751 2.63580 2.64841 2.65218 2.66246 2.66676 2.67415 2.68400 2.69240 2.69820 2.70868 2.71345 2.71519 2.71997 2.72292 2.73278 2.73444 2.74587 2.74798 2.75364 2.75869 2.76761 2.77486 2.78552 2.79845 2.80289 2.81758 2.82590 2.83944 2.84846 2.85911 2.87255 2.87947 2.88687 2.89389 2.90141 2.90674 2.91652 2.92164 2.93018 2.94395 2.95503 2.96852 2.97717 2.98612 2.99844 3.00864 3.01775 3.03251 3.04306 3.05139 3.07544 3.09033 3.09611 3.11098 3.14737 3.15655 3.18121 3.19145 3.20166 3.21715 3.22874 3.26996 3.28923 3.32806 3.35784 3.39514 3.40139 3.42034 3.46847 3.49223 3.52546 3.55364 3.57544 3.58220 3.59653 3.60368 3.64055 3.64751 3.69600 3.72774 3.76322 3.77147 3.79143 3.79181 3.80185 3.80705 3.82718 3.82744 3.83019 3.84796 3.85828 3.88397 3.97450 4.03809 4.04649 4.06310 4.12560 4.18149 4.23284 4.28479 4.28672 4.29344 4.34123 4.41829 4.44111 4.83436 4.84522 4.87926 4.88862 23.50785 23.57103 23.78029 23.81360 23.83071 23.89128 23.91728 23.92526 23.95938 23.96277 23.96363 23.97160 23.97762 24.00749 24.00900 24.11932 24.13021 24.19015 24.19998 24.23497 25.14335 35.54457 1-A. Mulliken charges: 1 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 N C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H 0.269545 -0.534420 0.573826 0.258232 0.179900 0.662497 -0.831237 -0.071697 -0.354906 -0.345864 -0.017524 -0.566366 0.156713 -0.533126 -0.553985 -0.542108 0.021404 -0.532116 -0.311338 -0.109710 -0.446734 0.182203 0.113609 0.145444 0.209406 0.125656 0.108976 0.154945 0.131219 0.121944 0.162101 0.118278 0.125551 0.117067 0.144401 0.143939 0.136546 0.147124 0.145781 0.138493 0.135259 0.145176 0.145835 0.143705 0.121748 0.124421 0.140186 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 N C C C C C C C C C C C C C C C C C C C C C 0.269545 -0.275367 0.573826 0.258232 0.179900 0.662497 -0.496175 0.037279 -0.199960 0.069399 0.100754 -0.440815 0.273780 -0.108239 -0.122587 -0.115839 0.165109 -0.410368 -0.186917 -0.109710 -0.306548 0.182203 -0.00000 1.14247861e-01 -9.05940174e-02 -1.46417280e-02 3.19809259e+02 1.11653458e+00 2.72848728e+02 -2.54138061e+01 -1.94726908e+01 2.29675216e+02 -5.1790 -1.7259 -0.0007 -0.0002 0.0005 2.6934 4.7610 14.3724 23.9920 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -4.0854 14.3555 23.9880 42.2178 51.1800 72.5571 84.2279 99.4656 131.8504 143.8424 174.9575 176.5984 225.3105 233.3230 245.0158 267.7377 287.7125 292.7736 293.4937 313.5492 335.3941 360.0201 361.7329 387.9621 407.2385 414.7966 428.0692 440.9700 471.2945 480.6524 514.2163 529.1478 542.9058 564.1562 569.4061 593.6821 619.1674 661.0753 692.6299 729.5346 743.1666 787.3029 804.4328 809.7349 822.3153 848.5382 869.8934 892.4634 893.4120 925.4178 932.1832 933.5985 969.4623 970.9614 975.5858 987.3709 989.9066 993.2841 997.7580 1033.9378 1044.1118 1054.1278 1055.4342 1072.6849 1098.9003 1112.1286 1122.7196 1149.5685 1156.3387 1173.3204 1196.0161 1199.3792 1220.6659 1222.3844 1225.1789 1236.7127 1254.9507 1267.7917 1291.3785 1295.6396 1301.4522 1317.9991 1344.2319 1378.2481 1393.6274 1398.7954 1400.0114 1400.4051 1407.9463 1426.0498 1432.7506 1460.0504 1474.1788 1478.3987 1485.8748 1489.0778 1489.1171 1492.4476 1495.9812 1501.6575 1503.0704 1503.3070 1510.5700 1523.6240 1545.5456 1616.9748 1636.9223 1662.1989 1689.8190 2316.1448 2896.6112 2903.6351 2913.9888 3019.4573 3019.6240 3026.1744 3026.3326 3043.7235 3055.4892 3087.6833 3087.7437 3094.4751 3098.4716 3102.6619 3103.4716 3106.0857 3111.6959 3153.1873 3153.4252 3155.0276 3161.3244 3166.4844 3181.5175 3182.5103 3211.7047 2.8037 4.8719 4.3289 3.8602 4.1584 2.8392 3.4134 3.5297 4.0595 2.7545 4.0241 3.4926 3.8209 1.0139 1.2741 2.3554 2.4016 1.0577 1.0905 3.5582 2.8761 2.5675 2.5679 2.6909 3.3109 2.6425 3.1399 3.4041 3.2201 3.2984 5.9368 4.9590 3.6651 4.6967 4.6445 3.9759 4.0929 4.1451 3.9471 3.1213 1.4793 2.3131 2.0338 2.8500 2.0737 2.4258 1.7347 2.6048 4.0168 1.4795 1.8595 1.8448 1.5946 1.4872 1.1979 1.4749 1.2747 1.6096 1.3031 2.3225 2.7973 1.3788 1.3796 2.4768 2.4916 2.2904 2.7701 1.6133 2.1683 1.3666 1.3816 1.1980 2.5441 2.5000 1.6906 2.0712 1.4848 1.4092 1.7763 2.0156 1.9299 1.3145 1.3541 2.7899 3.6849 1.5025 1.2026 1.2044 1.5721 2.0929 1.2059 1.2196 1.9105 1.0472 1.0687 1.0431 1.0431 2.2706 1.0991 1.0724 1.0495 1.0493 1.0703 1.0639 3.3356 6.8984 4.9078 5.8520 5.9315 11.9430 1.0722 1.0657 1.0702 1.0347 1.0345 1.0451 1.0755 1.0852 1.0710 1.1015 1.1012 1.1007 1.1037 1.1028 1.1028 1.1012 1.0874 1.0868 1.0889 1.0865 1.0899 1.0901 1.0964 1.0959 1.0925 0.0000 0.0006 0.0015 0.0041 0.0064 0.0088 0.0143 0.0206 0.0416 0.0336 0.0726 0.0642 0.1143 0.0325 0.0451 0.0995 0.1171 0.0534 0.0553 0.2061 0.1906 0.1961 0.1980 0.2386 0.3235 0.2679 0.3390 0.3900 0.4214 0.4490 0.9249 0.8181 0.6365 0.8807 0.8872 0.8257 0.9245 1.0673 1.1156 0.9787 0.4814 0.8447 0.7754 1.1010 0.8262 1.0291 0.7734 1.2224 1.8890 0.7465 0.9520 0.9474 0.8830 0.8261 0.6717 0.8472 0.7360 0.9357 0.7643 1.4629 1.7967 0.9027 0.9054 1.6791 1.7728 1.6691 2.0573 1.2561 1.7082 1.1085 1.1644 1.0153 2.2335 2.2010 1.4952 1.8664 1.3778 1.3345 1.7453 1.9935 1.9260 1.3453 1.4416 3.1224 4.2167 1.7321 1.3888 1.3916 1.8361 2.5076 1.4585 1.5318 2.4463 1.3485 1.3901 1.3628 1.3628 2.9799 1.4492 1.4248 1.3970 1.3971 1.4390 1.4551 4.6944 10.6268 7.7481 9.5261 9.9791 37.7480 5.3004 5.2938 5.3541 5.5581 5.5577 5.6391 5.8036 5.9237 5.8914 6.1871 6.1861 6.2098 6.2433 6.2546 6.2580 6.2595 6.2034 6.3667 6.3797 6.3720 6.4178 6.4398 6.5387 6.5399 6.6395 0.0017 0.0399 0.1025 0.3580 0.3041 0.8060 0.9375 0.7311 0.2843 0.4120 1.5338 0.2882 1.4313 0.0003 0.6143 0.6657 2.3353 0.0487 0.0829 0.6949 0.6164 0.4921 2.4777 5.1944 3.1259 1.3938 4.6273 2.9255 0.5636 0.2273 0.4173 1.6325 1.7877 4.5092 4.0908 1.4838 5.4511 4.4016 0.2099 3.2153 1.5300 33.8122 50.5433 22.4129 13.3755 6.7899 5.8036 12.7977 1.6879 5.5364 0.1740 0.2119 9.0169 5.1131 0.0002 9.5402 31.0463 4.9944 0.1282 50.6699 9.0132 0.4571 0.5333 15.3026 4.1069 3.7567 3.2284 10.8474 19.4140 0.8965 0.3598 4.0268 5.6382 6.1009 19.4559 2.4511 5.0077 5.8572 47.4252 23.5336 9.1400 1.9336 12.2646 3.5387 2.6829 35.8648 7.2112 7.0982 20.9899 3.2844 0.8167 2.6015 3.4397 0.0011 0.9257 0.0518 0.0018 0.8505 9.3640 4.3833 9.4446 8.8071 8.7664 6.3952 9.0732 0.1053 2.8397 0.0801 3.6888 8.0622 34.4740 41.3354 195.1411 23.3630 23.2937 58.9884 13.0071 7.2771 31.1168 4.8536 4.8642 85.9312 0.7004 37.7383 36.0479 23.2819 14.9312 1.7800 7.8175 1.0288 11.9742 18.1477 33.0052 16.9613 4.8842 -0.00 0.01 -0.02 -0.00 0.01 -0.03 0.00 -0.00 -0.01 0.00 0.00 0.01 0.01 -0.01 0.02 -0.01 -0.00 0.00 -0.00 -0.01 -0.02 0.00 -0.02 -0.02 0.00 0.02 0.02 -0.01 0.02 -0.04 0.01 -0.02 0.02 0.00 -0.03 -0.00 0.01 -0.00 0.05 0.09 -0.17 -0.10 0.00 0.02 0.22 -0.11 0.15 -0.12 -0.00 -0.01 -0.01 0.01 0.03 0.04 0.01 0.02 0.05 -0.00 -0.01 -0.01 -0.00 -0.01 -0.02 -0.00 -0.01 -0.01 -0.01 0.01 -0.04 -0.01 0.03 -0.03 0.00 -0.02 -0.01 -0.00 -0.02 -0.04 -0.00 -0.02 -0.03 -0.00 0.03 0.01 -0.01 0.04 -0.03 -0.01 0.02 -0.05 -0.01 0.02 -0.03 0.01 -0.03 0.03 0.01 -0.04 -0.01 0.01 -0.01 0.06 0.08 -0.19 -0.25 0.16 -0.28 -0.02 0.08 -0.17 -0.09 -0.06 0.14 0.29 0.08 -0.09 0.31 0.00 0.03 0.23 -0.12 0.16 -0.11 -0.12 0.14 -0.27 -0.18 0.28 -0.05 -0.00 -0.00 0.00 0.00 0.04 0.04 0.01 0.02 0.07 0.00 -0.02 -0.04 -0.03 -0.10 -0.00 -0.04 -0.05 -0.01 -0.01 -0.02 -0.01 0.07 -0.00 0.01 0.11 0.03 0.01 -0.11 0.08 -0.01 -0.03 -0.10 -0.00 -0.06 -0.01 -0.03 0.12 -0.01 0.02 -0.05 -0.12 0.00 0.05 0.04 -0.01 -0.03 0.02 -0.03 0.19 0.05 0.03 -0.15 0.10 0.00 -0.06 0.13 -0.03 -0.14 0.06 0.00 -0.04 -0.08 0.00 0.20 0.00 0.05 0.24 0.04 0.05 -0.08 0.02 -0.01 -0.03 -0.06 -0.01 -0.05 -0.02 -0.01 -0.09 -0.05 -0.01 -0.04 -0.03 -0.01 -0.04 -0.12 0.00 -0.02 -0.11 -0.01 -0.12 -0.02 -0.04 0.09 -0.04 0.02 -0.03 -0.11 -0.00 -0.08 -0.12 0.01 -0.04 -0.15 0.01 0.08 0.06 -0.01 -0.07 0.03 -0.04 0.22 0.07 0.04 -0.18 0.06 0.02 -0.13 0.11 -0.01 -0.18 0.14 0.00 -0.03 0.11 -0.04 -0.04 0.14 -0.04 -0.09 0.17 -0.03 -0.16 0.11 0.00 -0.17 0.03 0.02 -0.11 0.05 -0.00 -0.07 -0.08 0.01 0.24 -0.00 0.06 0.31 0.05 0.07 -0.00 -0.06 -0.02 -0.04 -0.02 -0.05 -0.04 -0.01 0.01 0.02 0.01 0.03 -0.01 0.00 -0.00 0.06 0.03 0.03 -0.02 0.02 0.07 0.01 -0.07 -0.08 0.10 0.05 0.09 -0.09 -0.04 -0.07 -0.09 -0.01 -0.10 0.15 0.08 0.09 0.17 0.09 0.12 0.03 0.02 -0.01 0.03 0.06 0.10 0.01 0.05 0.10 -0.11 -0.02 0.11 0.01 -0.06 -0.10 -0.12 -0.05 -0.10 -0.06 -0.02 -0.07 -0.00 -0.02 -0.02 0.01 -0.06 -0.11 0.01 -0.04 -0.07 -0.03 -0.00 0.02 -0.08 -0.01 0.02 0.05 -0.09 -0.04 0.03 -0.08 -0.12 0.12 0.06 0.12 -0.14 -0.06 -0.09 -0.13 0.02 -0.08 -0.10 -0.02 -0.13 -0.09 -0.02 -0.13 0.20 0.10 0.12 0.24 0.12 0.17 0.08 0.05 0.01 0.01 0.04 0.09 0.09 0.09 0.07 0.02 0.09 0.17 -0.03 0.01 0.08 0.07 0.07 0.07 -0.01 0.08 0.16 -0.12 0.01 0.18 -0.13 -0.04 0.09 -0.14 -0.06 0.09 0.00 -0.06 -0.07 -0.19 -0.08 -0.15 -0.08 -0.03 -0.10 0.02 -0.07 -0.13 -0.06 -0.04 -0.06 -0.05 -0.06 -0.01 -0.03 -0.04 -0.01 -0.01 -0.04 0.00 0.04 -0.02 0.03 0.03 0.00 0.02 -0.05 0.12 -0.07 -0.03 -0.04 -0.00 -0.02 -0.05 -0.01 -0.05 -0.14 0.03 0.04 -0.01 0.03 0.00 -0.02 0.01 0.08 -0.01 0.05 0.15 0.01 0.03 -0.06 -0.10 0.05 0.08 -0.02 0.04 -0.06 0.12 -0.15 0.03 -0.04 0.01 0.08 -0.02 0.04 -0.03 0.10 -0.02 -0.07 0.18 -0.02 -0.06 0.16 -0.04 -0.02 -0.05 0.02 -0.07 -0.09 0.00 -0.05 0.20 -0.12 -0.04 0.17 0.06 -0.05 -0.04 -0.01 -0.05 -0.06 -0.03 -0.06 -0.27 0.03 -0.01 -0.11 0.16 -0.06 -0.13 -0.02 0.07 -0.00 0.05 0.01 -0.02 0.02 0.12 0.01 0.07 0.21 0.08 0.01 0.12 0.02 0.02 0.20 -0.07 0.07 -0.14 -0.10 0.05 -0.09 -0.09 0.04 -0.01 -0.18 0.09 0.13 -0.10 0.07 0.15 0.05 0.02 0.00 -0.02 0.03 -0.05 0.06 -0.30 0.02 -0.04 0.01 0.11 -0.01 0.06 -0.08 0.23 0.14 0.01 0.02 -0.05 0.00 0.02 -0.10 0.01 -0.01 -0.08 0.00 -0.00 -0.05 0.08 -0.01 0.02 -0.05 -0.01 0.01 -0.04 0.03 -0.02 0.08 -0.02 -0.05 -0.08 0.00 -0.08 0.06 0.02 -0.02 0.15 -0.01 0.05 0.15 -0.02 0.02 0.07 0.00 0.05 -0.17 -0.08 -0.04 -0.06 -0.02 -0.05 0.07 0.05 -0.05 -0.03 -0.00 0.02 -0.08 0.01 -0.05 -0.01 0.01 0.02 -0.05 0.00 0.14 -0.06 0.02 0.19 -0.05 0.01 0.19 -0.01 0.00 -0.14 0.03 0.06 -0.12 -0.06 0.06 -0.06 -0.08 0.03 0.01 0.09 -0.02 -0.07 -0.13 0.00 -0.14 0.09 0.01 -0.04 0.06 0.03 -0.01 0.06 0.03 0.01 0.22 -0.01 0.11 0.21 -0.03 0.04 0.13 0.00 0.10 -0.17 -0.08 -0.00 -0.25 -0.13 0.00 -0.17 -0.09 -0.16 0.02 0.02 -0.02 -0.14 -0.07 -0.01 -0.06 -0.04 -0.16 0.07 0.03 -0.17 0.07 0.05 -0.02 0.15 0.09 -0.02 0.02 -0.04 -0.09 -0.14 0.01 -0.08 -0.01 0.01 0.04 -0.10 0.06 0.31 -0.00 0.02 0.06 0.00 -0.02 0.01 -0.02 -0.03 -0.01 -0.01 -0.03 -0.02 0.04 -0.01 -0.00 -0.01 0.01 -0.01 -0.02 -0.09 0.07 -0.02 -0.02 -0.00 -0.03 -0.06 -0.04 0.04 0.18 -0.03 0.05 0.01 0.01 0.01 0.00 0.01 0.07 -0.00 -0.00 0.07 0.01 -0.01 -0.08 -0.08 0.00 0.04 -0.00 -0.01 -0.08 0.03 0.17 0.00 -0.05 -0.04 0.06 -0.02 -0.02 -0.05 0.08 -0.03 -0.02 0.02 -0.07 -0.05 0.08 -0.04 0.01 -0.03 -0.01 0.04 -0.02 -0.01 -0.06 -0.25 0.14 0.07 -0.13 -0.07 -0.03 -0.02 0.00 -0.06 -0.07 -0.06 0.05 0.29 -0.03 0.06 0.14 -0.18 0.03 0.23 0.03 0.08 0.03 0.02 0.01 0.02 0.01 0.11 0.02 0.01 0.12 0.07 -0.02 0.03 0.01 -0.01 0.11 -0.06 0.01 -0.14 -0.08 0.00 -0.12 -0.07 0.00 -0.05 -0.15 0.02 0.08 -0.07 0.01 0.09 0.06 -0.02 -0.02 -0.00 -0.01 -0.18 0.11 0.42 -0.01 -0.07 -0.06 0.08 -0.02 -0.02 0.07 -0.06 -0.33 0.04 0.03 0.03 0.03 0.02 -0.05 -0.00 -0.00 -0.06 -0.01 0.00 -0.04 0.03 -0.01 0.01 -0.03 -0.03 -0.03 -0.06 0.14 0.09 0.02 -0.02 -0.05 -0.05 0.01 -0.05 0.13 -0.06 0.17 0.07 -0.02 0.02 0.05 -0.03 -0.02 0.04 0.00 0.04 0.01 0.02 0.01 0.02 0.03 0.00 -0.16 -0.08 0.02 -0.03 0.10 0.10 -0.05 0.02 -0.02 -0.00 0.01 0.02 -0.00 -0.09 -0.11 -0.04 -0.01 -0.05 -0.01 -0.07 -0.10 0.02 0.02 -0.07 0.08 0.04 -0.07 -0.10 0.23 -0.00 -0.11 0.18 0.20 0.03 -0.02 -0.07 -0.08 0.02 -0.09 0.19 -0.19 0.13 0.14 -0.03 0.30 0.13 -0.06 0.20 0.10 -0.02 0.05 0.08 -0.04 -0.01 0.07 -0.00 0.07 -0.03 -0.02 -0.02 0.10 0.05 -0.03 -0.02 0.08 0.09 -0.00 -0.01 -0.02 0.12 0.06 -0.03 -0.00 0.08 0.09 -0.19 -0.02 0.10 -0.20 -0.12 -0.01 -0.19 -0.12 -0.01 0.00 0.13 0.18 -0.09 0.03 -0.03 -0.00 0.02 0.05 -0.07 -0.05 -0.15 -0.05 0.10 0.01 0.00 -0.04 0.08 -0.06 -0.05 0.03 -0.04 -0.06 -0.00 0.02 -0.01 0.01 0.02 -0.03 0.00 -0.00 0.14 -0.02 -0.09 -0.03 0.03 -0.07 -0.11 -0.04 -0.02 0.20 -0.06 -0.02 0.01 0.00 -0.10 -0.00 -0.00 0.11 0.00 0.02 -0.05 -0.02 0.00 0.10 0.06 -0.01 -0.04 -0.02 0.01 0.04 0.05 -0.08 0.01 -0.10 -0.04 0.12 -0.04 0.00 0.06 -0.09 0.01 -0.00 0.02 0.03 0.04 -0.06 0.02 0.12 -0.03 0.15 -0.03 -0.16 0.09 0.04 0.21 -0.03 -0.04 0.15 0.03 -0.11 -0.03 0.05 -0.14 -0.15 -0.07 -0.09 0.17 -0.02 0.13 0.20 -0.09 -0.07 0.33 -0.12 0.00 0.04 -0.00 -0.13 0.02 -0.01 0.18 0.05 0.04 -0.11 -0.09 0.01 -0.01 -0.03 0.01 -0.09 0.05 -0.01 0.16 0.06 -0.01 0.15 0.06 -0.01 0.06 0.14 -0.01 -0.08 0.06 -0.00 -0.10 -0.09 0.01 0.01 -0.02 0.00 0.12 0.02 -0.19 -0.01 -0.14 -0.07 0.20 -0.02 0.01 -0.08 0.05 0.15 -0.02 0.06 -0.04 0.01 -0.01 0.00 0.06 -0.02 0.04 0.07 -0.02 0.03 -0.02 -0.04 -0.04 -0.07 -0.03 -0.01 -0.05 0.11 -0.03 0.12 0.00 0.08 0.19 -0.01 0.09 0.03 0.12 -0.05 0.02 -0.02 -0.01 0.13 0.02 0.08 -0.11 -0.07 -0.11 -0.05 -0.02 -0.00 -0.08 -0.05 0.00 -0.10 -0.05 0.00 -0.05 0.08 -0.03 0.18 -0.02 0.07 -0.01 -0.06 -0.06 -0.07 -0.03 -0.03 -0.08 0.04 0.02 -0.07 -0.01 0.00 0.06 -0.01 0.00 -0.04 -0.01 0.02 -0.06 0.14 -0.07 -0.07 0.12 0.02 0.16 0.02 0.11 0.30 0.02 0.19 -0.01 0.07 -0.03 0.14 0.12 -0.06 -0.01 0.22 -0.09 -0.02 -0.02 -0.04 0.19 0.05 0.12 -0.22 -0.09 -0.20 -0.05 -0.02 -0.01 -0.04 -0.02 -0.01 -0.05 -0.02 0.01 -0.11 -0.06 -0.01 -0.08 -0.03 -0.01 -0.07 -0.06 0.03 -0.10 -0.05 0.04 -0.11 -0.05 -0.01 -0.13 -0.07 -0.01 -0.01 0.07 -0.07 0.29 0.00 0.13 -0.06 -0.08 -0.11 -0.14 0.05 0.06 0.01 -0.00 0.03 0.01 0.01 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 0.01 0.01 0.00 -0.02 0.02 -0.08 0.01 -0.05 0.03 -0.01 -0.00 -0.01 -0.01 0.01 -0.01 0.02 0.06 -0.02 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.01 0.01 0.01 0.15 0.08 -0.02 -0.05 -0.03 -0.02 -0.11 -0.05 -0.01 0.04 -0.11 -0.02 -0.02 0.01 -0.01 -0.01 0.01 0.00 -0.03 0.03 -0.15 0.01 -0.01 0.23 -0.00 -0.00 0.06 -0.01 0.00 -0.02 0.03 0.03 -0.01 0.04 -0.01 0.03 -0.04 -0.06 0.04 -0.01 -0.00 -0.02 -0.02 0.01 -0.02 0.02 0.12 -0.02 0.01 0.04 -0.09 0.02 0.06 0.01 0.01 0.00 0.00 -0.02 -0.01 -0.02 0.02 0.01 0.02 0.18 0.12 -0.07 0.22 0.14 -0.07 0.17 0.06 0.11 -0.17 -0.09 -0.06 0.01 0.03 -0.07 -0.03 -0.06 0.11 -0.09 -0.08 0.13 -0.09 -0.02 -0.06 -0.24 -0.10 -0.05 0.08 -0.21 -0.31 -0.03 0.01 -0.02 -0.01 0.01 0.01 0.01 0.10 0.54 -0.01 -0.02 -0.00 -0.02 0.00 -0.02 0.03 0.00 0.02 0.17 0.04 0.11 0.16 0.04 0.10 0.02 -0.03 -0.01 -0.01 -0.02 -0.00 -0.16 -0.05 -0.10 0.15 0.03 0.09 -0.02 0.01 -0.03 0.12 0.03 0.08 -0.09 -0.03 -0.05 0.02 -0.00 0.00 -0.01 -0.02 -0.00 0.08 0.03 -0.01 -0.03 -0.03 0.00 -0.05 0.05 0.02 -0.07 -0.04 -0.05 -0.17 -0.07 -0.12 0.03 -0.05 -0.01 -0.04 0.08 0.02 -0.03 0.06 0.01 -0.05 -0.01 -0.05 -0.02 0.06 -0.01 -0.04 -0.08 0.01 0.04 -0.02 -0.03 -0.35 -0.11 -0.21 0.21 0.04 0.14 -0.01 0.06 -0.03 -0.04 -0.00 -0.07 -0.01 -0.00 -0.00 0.16 0.05 0.10 -0.20 -0.06 -0.12 -0.03 -0.01 -0.03 -0.05 -0.07 -0.01 0.04 -0.03 -0.00 -0.04 0.03 0.01 0.11 0.02 -0.01 0.13 0.04 -0.01 0.05 0.09 0.00 -0.06 0.02 0.01 -0.07 -0.08 0.01 0.00 -0.05 -0.00 -0.09 0.04 0.01 -0.17 -0.07 -0.12 -0.37 -0.13 -0.25 -0.03 0.08 0.03 -0.04 -0.06 0.01 -0.06 -0.02 -0.04 -0.05 -0.01 -0.04 -0.07 -0.02 -0.05 -0.07 -0.02 -0.05 0.08 -0.05 -0.02 -0.03 -0.11 0.01 0.04 0.01 0.01 -0.02 0.00 -0.02 -0.05 -0.02 -0.03 -0.00 -0.01 -0.01 0.08 0.02 0.04 -0.04 -0.01 -0.02 0.03 -0.03 -0.01 0.20 0.09 -0.02 -0.03 -0.06 0.00 -0.10 0.05 0.07 0.06 0.03 0.04 0.04 0.02 0.03 0.09 -0.09 -0.02 -0.05 0.15 0.07 -0.04 0.14 0.04 -0.12 -0.03 -0.09 -0.02 0.04 -0.06 -0.08 -0.25 0.07 0.09 -0.13 -0.08 0.10 0.03 0.04 -0.02 0.01 -0.02 0.01 0.13 -0.06 -0.17 -0.05 -0.15 -0.02 -0.10 0.06 0.01 -0.00 0.00 0.16 0.04 0.09 -0.05 -0.02 -0.03 -0.06 -0.13 -0.03 0.14 -0.04 -0.02 -0.03 0.08 0.03 0.28 0.07 -0.03 0.32 0.10 -0.04 0.13 0.23 0.00 -0.10 0.05 0.02 -0.12 -0.16 0.02 0.03 -0.09 -0.01 -0.21 0.04 0.07 0.13 0.06 0.09 0.09 0.04 0.07 -0.00 0.16 0.07 0.07 -0.01 -0.07 0.09 0.02 0.06 0.16 0.05 0.10 0.08 0.03 0.05 0.03 0.01 0.02 -0.03 -0.04 -0.02 0.06 -0.03 -0.07 0.15 0.05 0.09 -0.03 -0.00 -0.02 0.01 -0.06 -0.07 -0.15 -0.04 -0.09 -0.08 -0.02 -0.05 0.09 0.03 0.06 -0.04 -0.04 -0.02 -0.03 -0.03 -0.01 -0.10 -0.06 0.01 -0.03 0.10 0.04 -0.10 -0.02 -0.06 0.03 0.02 0.03 -0.02 -0.02 -0.01 -0.04 0.08 0.02 -0.05 0.06 0.06 0.12 0.03 0.12 -0.02 -0.03 0.11 -0.01 -0.16 -0.04 0.15 -0.04 -0.15 0.23 0.07 0.14 -0.08 -0.02 -0.06 0.01 -0.03 -0.07 -0.07 -0.06 -0.06 0.03 -0.13 -0.08 -0.33 -0.09 -0.20 -0.21 -0.06 -0.14 0.15 0.04 0.10 -0.08 -0.08 -0.03 -0.01 -0.05 -0.01 -0.07 0.00 -0.01 -0.05 -0.06 -0.03 -0.01 -0.01 -0.03 -0.03 -0.03 0.02 -0.13 -0.02 0.07 -0.14 -0.10 -0.01 -0.13 -0.09 -0.01 -0.07 0.13 0.14 -0.23 -0.06 -0.14 0.05 0.02 0.04 -0.05 0.05 -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 0.01 -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 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.20 0.22 0.13 -0.32 0.02 0.00 0.15 -0.28 -0.16 -0.20 -0.22 -0.13 0.19 0.20 -0.17 0.01 0.02 0.35 -0.15 0.25 -0.19 -0.19 -0.20 0.17 0.32 -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 -0.05 0.01 0.00 -0.06 0.02 0.01 -0.00 -0.01 0.01 0.01 -0.01 0.00 0.01 -0.01 0.00 -0.01 0.00 0.01 -0.05 -0.00 -0.00 0.02 -0.00 -0.00 0.03 -0.01 0.07 0.02 0.00 0.00 0.01 -0.01 -0.00 0.02 -0.00 -0.01 0.01 0.01 -0.01 -0.01 -0.00 0.01 0.00 0.00 -0.00 -0.01 0.00 -0.02 -0.02 -0.02 -0.02 0.04 0.01 -0.02 0.03 0.02 0.00 -0.00 0.00 -0.01 0.02 -0.01 -0.02 0.03 -0.01 -0.01 -0.04 0.08 -0.00 -0.09 0.03 0.01 -0.08 0.02 0.04 -0.06 -0.03 -0.01 0.02 0.00 -0.01 0.04 -0.02 -0.23 -0.39 0.12 0.59 0.08 0.21 -0.11 0.42 -0.34 0.00 0.02 -0.01 -0.00 0.02 -0.00 -0.01 -0.01 0.02 -0.02 -0.03 -0.00 -0.01 -0.02 0.00 -0.02 0.00 -0.01 0.02 0.01 0.01 0.01 -0.00 0.01 0.00 0.01 -0.00 -0.01 0.01 -0.00 -0.02 -0.02 0.01 0.01 -0.01 0.00 -0.05 -0.03 -0.04 -0.02 0.05 0.01 -0.03 0.03 0.03 0.01 0.02 0.02 -0.01 0.08 -0.10 -0.02 0.04 -0.03 -0.02 -0.00 0.00 -0.02 -0.01 0.02 -0.02 0.00 0.01 0.01 0.01 -0.03 -0.02 0.04 -0.08 -0.03 -0.01 -0.00 -0.00 -0.03 0.02 -0.08 -0.07 -0.04 0.01 0.00 0.03 -0.00 -0.00 0.01 -0.01 -0.00 -0.02 0.10 0.05 -0.01 0.01 0.02 -0.04 -0.01 0.02 -0.03 0.01 0.04 0.14 0.03 -0.03 0.00 0.02 -0.02 -0.02 0.00 -0.00 0.00 0.01 -0.05 0.04 0.03 -0.05 0.16 0.04 0.04 -0.04 -0.06 0.04 -0.01 -0.06 -0.02 -0.07 -0.05 0.00 -0.14 -0.04 -0.02 -0.01 0.00 -0.05 0.03 -0.29 -0.38 0.04 0.12 0.00 0.22 -0.15 0.04 -0.32 0.03 0.01 0.05 0.01 0.00 0.02 -0.01 0.01 -0.04 0.12 0.07 -0.05 0.15 0.07 -0.04 0.11 0.03 0.08 -0.03 -0.06 -0.09 0.07 0.09 -0.10 0.01 0.03 0.06 0.02 -0.03 0.02 0.03 0.06 -0.09 -0.09 0.03 -0.03 0.05 0.14 0.41 0.05 -0.04 0.01 0.03 -0.03 -0.03 -0.01 -0.15 -0.22 -0.03 0.03 0.01 -0.08 0.13 -0.13 0.02 0.03 0.03 0.02 0.02 0.07 -0.00 0.01 0.04 0.01 0.00 0.01 -0.08 -0.02 0.04 0.09 -0.00 0.05 0.02 -0.05 0.03 0.01 0.03 0.04 -0.09 -0.04 -0.03 -0.00 -0.03 -0.00 0.05 0.02 0.01 0.03 0.01 0.01 0.04 0.04 0.02 0.06 0.01 -0.00 -0.04 -0.08 -0.01 -0.01 -0.08 -0.04 0.04 -0.04 -0.04 -0.01 -0.00 -0.01 -0.02 -0.03 0.01 -0.02 0.01 -0.08 -0.21 0.05 -0.38 -0.05 0.42 -0.14 -0.06 0.05 0.01 -0.16 -0.02 0.06 0.12 0.00 0.04 0.02 -0.07 0.06 -0.07 -0.13 0.07 0.16 0.05 0.14 -0.04 0.14 -0.06 -0.20 -0.09 -0.08 -0.05 -0.05 -0.03 0.08 0.06 -0.01 0.06 0.05 0.03 -0.00 0.03 0.01 0.05 -0.02 0.02 0.15 0.15 0.09 -0.01 -0.07 0.11 0.02 0.06 -0.14 0.02 0.07 -0.11 0.01 -0.04 0.09 0.20 0.01 0.01 -0.04 -0.12 -0.11 -0.05 -0.12 -0.09 0.05 -0.05 -0.07 0.02 0.01 0.11 -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 -0.00 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 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.02 -0.02 0.01 0.04 0.02 -0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.01 0.00 -0.02 -0.00 0.03 -0.01 0.00 0.01 0.00 -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.28 -0.32 -0.20 0.44 -0.05 -0.00 -0.21 0.36 0.20 -0.22 -0.23 -0.12 0.12 0.16 -0.16 -0.00 -0.03 0.31 -0.02 0.11 -0.13 -0.03 -0.06 0.09 0.22 0.02 -0.00 0.00 -0.01 -0.02 -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 -0.01 0.02 -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 0.01 -0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.01 0.01 0.01 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.04 0.02 0.01 -0.03 -0.03 -0.01 -0.03 -0.00 0.00 0.01 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 0.01 0.00 -0.00 0.02 0.04 -0.00 0.05 0.00 -0.05 0.02 0.00 -0.01 -0.01 0.02 0.00 -0.02 -0.02 -0.00 -0.01 -0.00 0.01 -0.01 -0.01 -0.00 -0.01 -0.02 -0.01 -0.00 -0.00 -0.02 -0.01 0.03 0.01 0.01 0.01 0.01 0.01 -0.01 -0.01 -0.00 0.01 -0.03 -0.05 0.15 0.03 -0.01 0.02 0.07 0.09 0.15 0.21 0.14 -0.24 -0.23 0.18 -0.02 -0.08 -0.35 -0.22 0.32 -0.22 -0.28 -0.28 0.24 0.40 -0.05 -0.01 0.01 0.02 0.04 0.01 0.01 0.01 -0.00 0.00 0.01 0.00 -0.01 -0.02 0.10 0.02 -0.06 0.04 0.11 -0.09 -0.04 0.01 0.02 -0.11 -0.00 0.07 -0.09 0.05 0.05 0.00 -0.01 -0.00 0.11 -0.07 -0.07 -0.10 -0.00 -0.01 -0.07 -0.09 0.06 0.17 -0.04 0.01 -0.00 0.07 0.11 -0.03 0.04 0.04 -0.05 0.04 -0.04 -0.07 -0.05 -0.03 -0.04 -0.04 -0.00 -0.08 -0.04 0.03 0.05 0.01 -0.06 0.05 -0.09 0.03 0.05 -0.03 -0.03 0.02 0.03 0.00 0.05 0.05 -0.02 0.00 0.08 0.01 -0.02 0.06 -0.23 0.06 0.25 -0.10 0.10 -0.19 0.01 0.19 -0.10 -0.19 -0.16 -0.01 -0.01 -0.09 -0.14 0.10 0.25 -0.10 -0.04 0.18 -0.02 0.09 0.18 -0.02 0.08 0.09 0.07 0.19 0.01 0.04 0.06 -0.05 0.10 -0.10 -0.09 -0.07 -0.01 -0.11 -0.09 0.01 -0.08 -0.03 -0.11 -0.06 -0.04 -0.00 -0.08 -0.04 -0.00 -0.01 -0.09 -0.01 -0.10 -0.00 0.12 -0.11 -0.08 0.02 -0.13 -0.09 0.00 0.01 0.01 -0.06 0.13 -0.13 0.04 0.12 -0.03 -0.07 0.07 0.06 -0.02 -0.00 -0.12 -0.09 -0.02 -0.10 -0.03 -0.00 -0.03 0.01 -0.00 -0.01 0.04 -0.01 0.03 0.02 -0.01 -0.01 0.00 -0.08 0.01 -0.06 -0.01 0.04 0.05 -0.01 -0.00 0.05 0.21 -0.00 -0.06 -0.06 0.06 0.01 -0.03 0.07 0.03 0.00 0.03 0.02 0.09 0.04 0.04 0.03 0.04 -0.03 0.05 0.05 -0.05 -0.06 -0.00 -0.00 -0.03 -0.01 0.02 -0.02 0.02 0.01 -0.03 -0.04 0.02 -0.07 -0.05 -0.01 -0.02 -0.08 0.05 -0.02 -0.08 0.03 -0.07 -0.14 -0.01 -0.13 0.09 -0.16 -0.11 0.05 0.07 -0.03 0.05 0.11 -0.00 -0.00 0.05 0.46 0.15 -0.19 0.15 -0.04 -0.22 0.24 0.03 0.26 -0.08 0.07 -0.02 -0.04 0.08 0.02 0.01 0.03 0.03 0.14 0.09 0.01 0.14 0.10 -0.01 0.13 0.00 0.15 0.09 0.02 -0.04 0.06 0.06 -0.04 0.00 0.10 -0.04 0.06 0.01 -0.13 0.08 0.08 -0.06 0.08 0.12 -0.01 -0.03 0.02 0.05 -0.04 -0.03 0.01 -0.02 0.01 -0.01 -0.11 -0.07 -0.07 0.03 -0.02 -0.01 0.01 0.01 -0.01 0.01 0.00 0.00 -0.01 0.00 0.01 -0.01 0.01 0.01 0.02 -0.05 -0.05 0.02 -0.02 -0.00 -0.01 -0.00 -0.01 -0.02 -0.01 0.00 -0.01 -0.02 -0.04 0.00 0.01 0.02 -0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.10 0.15 0.07 -0.01 -0.08 0.14 0.06 0.03 -0.12 -0.02 0.07 0.05 0.01 -0.01 0.00 0.01 -0.00 -0.00 0.05 -0.10 -0.09 -0.02 0.05 0.06 0.04 -0.07 -0.06 -0.01 0.01 -0.02 0.02 0.03 -0.01 -0.04 -0.10 0.01 0.10 -0.02 -0.04 -0.02 -0.00 -0.01 -0.02 -0.02 0.00 -0.07 -0.03 -0.01 0.02 -0.02 -0.05 -0.03 -0.00 -0.11 0.02 0.01 0.03 0.00 -0.00 -0.00 -0.02 0.01 -0.02 -0.14 0.14 0.35 -0.20 0.35 -0.08 -0.14 0.21 0.07 -0.17 0.06 0.23 0.05 -0.21 0.25 0.03 -0.15 0.20 0.09 -0.02 -0.22 0.10 0.07 -0.17 0.09 0.14 -0.05 -0.03 0.05 -0.00 0.02 -0.01 0.01 0.02 0.00 -0.00 -0.08 0.07 0.11 0.02 0.07 -0.09 0.05 -0.02 0.03 0.01 -0.01 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.03 0.03 -0.05 -0.05 0.01 -0.04 -0.02 0.01 0.00 -0.01 -0.00 -0.00 0.02 -0.02 -0.02 0.01 0.02 0.01 -0.02 0.01 0.00 -0.02 -0.00 -0.00 -0.05 -0.02 -0.09 0.02 0.11 0.13 0.12 -0.13 0.06 -0.01 -0.06 0.07 0.01 0.00 0.01 -0.00 0.00 0.01 -0.06 0.06 -0.10 -0.00 -0.05 0.05 -0.05 0.03 -0.06 0.19 0.02 0.16 -0.02 -0.18 0.07 -0.07 0.03 -0.07 -0.15 -0.02 -0.06 -0.03 0.01 0.02 -0.02 -0.01 -0.01 0.07 -0.05 -0.05 -0.05 -0.00 0.05 0.05 -0.08 0.01 0.03 0.03 0.02 -0.02 0.02 -0.00 -0.03 -0.01 -0.01 -0.07 -0.05 -0.13 -0.06 -0.10 -0.04 -0.06 -0.01 -0.16 -0.02 0.24 0.21 0.19 -0.02 0.22 -0.03 0.20 0.17 0.16 -0.20 0.04 0.17 -0.06 0.32 0.21 -0.31 -0.04 0.02 -0.06 0.07 0.02 0.01 0.02 0.00 0.00 0.01 0.07 -0.04 0.07 -0.02 0.20 -0.07 0.05 0.01 0.06 0.02 0.01 0.02 0.02 -0.00 -0.01 0.02 -0.01 -0.00 0.01 -0.06 0.04 -0.05 -0.07 -0.05 -0.01 -0.00 0.00 -0.01 0.00 -0.02 0.03 0.01 0.10 0.03 -0.00 0.00 -0.02 -0.01 -0.00 -0.02 -0.02 -0.01 0.02 0.02 0.09 0.05 -0.04 -0.04 -0.02 0.07 -0.07 -0.05 -0.11 -0.02 0.02 0.01 0.01 0.00 -0.00 0.01 -0.00 -0.05 0.03 -0.03 -0.02 0.00 -0.08 0.08 -0.06 0.29 0.06 0.23 -0.04 -0.22 0.10 -0.00 -0.18 0.06 -0.11 -0.17 -0.28 -0.00 -0.00 0.00 -0.03 0.00 -0.05 0.16 -0.12 0.02 -0.10 0.06 0.31 0.08 -0.11 0.19 0.05 0.01 0.01 -0.03 -0.01 -0.01 -0.05 -0.04 -0.03 0.03 0.04 0.17 0.01 0.11 0.03 0.02 0.02 0.16 0.11 -0.10 -0.08 0.02 0.01 -0.08 0.03 -0.01 -0.07 -0.03 0.08 -0.13 -0.03 0.06 -0.22 -0.04 0.23 0.02 -0.08 -0.14 -0.09 0.02 0.02 0.02 -0.01 -0.00 0.02 0.07 0.02 0.08 -0.09 0.05 -0.01 -0.09 -0.05 -0.04 -0.11 -0.06 -0.05 -0.01 -0.03 -0.04 0.00 -0.03 -0.04 0.05 -0.01 -0.07 0.00 -0.00 -0.05 0.00 0.01 0.04 0.12 0.04 0.05 0.03 0.03 0.10 -0.07 -0.01 -0.07 0.03 0.04 0.05 0.12 0.01 0.08 -0.06 0.06 -0.04 0.01 -0.06 0.07 -0.03 -0.06 -0.03 0.05 -0.05 -0.05 -0.06 0.00 -0.02 -0.07 -0.01 -0.02 0.05 0.02 -0.02 0.07 -0.02 -0.06 0.02 0.10 0.16 -0.03 -0.05 -0.04 -0.05 -0.06 -0.05 0.09 -0.01 0.03 -0.01 -0.04 -0.13 0.05 0.03 0.10 0.26 0.11 0.13 0.19 -0.01 0.01 -0.01 0.04 0.16 0.05 0.02 0.26 -0.12 0.01 -0.13 0.10 0.09 0.10 0.25 0.02 0.18 -0.10 0.03 0.09 -0.12 0.13 -0.09 -0.09 0.12 -0.09 -0.12 0.04 0.13 0.04 -0.14 0.14 0.05 -0.13 0.12 -0.05 -0.01 0.06 -0.07 -0.10 -0.03 -0.07 -0.12 -0.07 0.05 0.01 0.11 -0.09 0.01 -0.03 -0.12 -0.02 -0.02 0.14 -0.07 -0.21 0.03 -0.04 -0.06 0.01 -0.03 -0.02 0.00 -0.02 -0.01 -0.01 -0.01 0.01 -0.01 0.01 0.00 0.07 -0.01 0.04 -0.08 0.08 0.03 -0.00 0.01 0.01 0.00 -0.01 0.02 -0.01 -0.03 -0.11 -0.02 0.03 0.00 -0.00 0.03 0.00 0.01 0.01 0.01 -0.05 -0.02 0.03 0.03 -0.09 -0.03 -0.06 0.04 0.01 0.04 -0.10 0.13 -0.01 -0.01 0.01 -0.01 0.00 0.00 0.06 0.03 -0.00 0.10 -0.03 0.04 -0.01 0.15 -0.11 0.03 -0.02 0.02 -0.01 -0.07 -0.01 -0.12 0.37 -0.20 -0.35 0.14 0.30 -0.01 0.02 0.04 0.02 -0.00 0.03 -0.07 0.01 -0.08 0.01 -0.04 -0.17 -0.02 -0.01 -0.17 -0.02 0.03 0.00 0.00 0.03 0.01 0.02 0.01 0.02 -0.11 -0.08 0.12 -0.12 -0.03 0.05 -0.10 0.04 -0.08 0.01 -0.13 -0.05 -0.07 -0.04 -0.06 0.07 -0.17 -0.04 -0.10 0.12 0.08 -0.12 -0.03 -0.12 -0.13 0.10 0.04 0.09 -0.08 0.16 -0.01 -0.02 0.01 -0.01 -0.00 -0.01 0.28 -0.01 0.05 -0.04 -0.05 0.03 -0.04 0.02 -0.01 0.08 0.02 0.08 0.10 0.01 0.02 0.09 -0.01 0.02 0.02 -0.03 -0.06 -0.03 0.03 0.01 0.00 0.00 0.03 -0.11 -0.03 -0.11 0.01 0.02 0.02 0.07 0.01 0.01 -0.06 -0.01 -0.02 -0.12 -0.07 -0.08 -0.02 0.06 -0.02 0.03 -0.02 0.05 -0.02 -0.05 -0.06 0.02 -0.06 -0.06 0.05 0.03 0.03 0.05 0.02 0.05 0.00 0.01 0.01 0.03 -0.05 -0.09 -0.04 0.11 0.17 -0.14 -0.01 -0.13 -0.06 0.19 -0.00 0.04 0.21 -0.05 -0.12 0.07 0.16 -0.07 -0.02 -0.02 -0.31 -0.06 -0.27 0.05 0.07 0.01 0.03 0.01 -0.04 0.01 0.06 0.09 0.04 0.03 -0.03 -0.20 -0.03 -0.10 -0.33 -0.16 -0.19 -0.03 0.05 0.09 -0.03 0.14 -0.08 -0.03 0.09 0.01 -0.03 0.05 0.09 0.11 -0.09 0.10 0.03 -0.02 0.09 -0.03 -0.03 -0.01 -0.04 -0.08 -0.07 -0.04 -0.07 -0.07 0.02 -0.01 0.08 0.04 0.06 0.04 0.05 0.02 0.08 0.10 -0.09 -0.23 0.01 -0.05 0.04 0.04 -0.03 0.09 -0.00 0.08 -0.05 -0.10 0.09 0.06 -0.11 0.09 0.08 -0.01 -0.04 -0.03 -0.01 0.02 0.03 0.07 -0.05 -0.10 -0.01 0.01 0.08 -0.01 0.01 -0.01 -0.02 -0.09 0.07 0.08 -0.13 -0.06 0.02 0.13 -0.02 0.01 0.03 0.01 0.03 0.01 0.02 0.00 -0.04 -0.06 -0.00 -0.05 -0.05 0.03 -0.02 -0.07 0.04 0.02 -0.10 -0.04 0.00 0.02 -0.01 -0.04 -0.06 -0.07 0.08 0.10 0.07 0.06 0.34 0.04 -0.29 0.09 0.03 0.15 -0.03 -0.07 0.05 0.15 0.16 -0.05 -0.17 0.02 -0.08 0.19 -0.04 0.07 0.01 0.02 -0.01 -0.08 -0.02 0.04 -0.02 -0.01 -0.23 0.21 0.15 -0.21 -0.06 0.09 0.26 -0.08 0.02 0.05 0.07 0.02 0.11 -0.05 0.01 0.03 0.08 0.04 0.04 0.04 0.12 -0.03 0.04 -0.00 0.07 0.04 0.00 -0.04 -0.08 0.01 -0.03 -0.06 0.01 -0.01 -0.04 -0.00 -0.02 0.01 0.08 -0.10 -0.08 0.07 0.01 -0.16 0.04 -0.06 -0.13 -0.11 0.01 -0.04 -0.09 -0.07 -0.00 -0.04 0.00 -0.03 -0.04 0.02 0.01 0.12 0.08 0.12 0.06 0.07 0.01 -0.05 -0.03 -0.05 0.13 -0.00 0.04 -0.09 -0.00 -0.02 0.02 0.02 0.04 0.01 -0.04 0.03 -0.05 -0.08 -0.06 -0.01 0.05 -0.03 -0.02 -0.00 -0.05 -0.03 -0.03 -0.00 -0.01 0.04 0.07 -0.01 0.02 0.04 0.11 0.04 0.03 -0.04 0.01 -0.08 0.09 -0.00 -0.02 0.03 0.05 0.04 0.12 -0.07 -0.04 -0.03 -0.03 0.12 -0.12 -0.21 0.01 -0.05 -0.13 0.02 -0.01 -0.06 -0.16 0.25 0.02 0.08 -0.18 -0.06 -0.06 0.17 -0.03 -0.04 0.04 0.02 0.08 0.03 0.06 0.20 -0.11 -0.13 -0.00 -0.21 -0.15 -0.18 -0.14 0.04 -0.15 -0.05 -0.04 -0.07 -0.06 -0.09 0.02 -0.04 0.02 -0.18 -0.12 -0.05 -0.02 -0.15 -0.02 -0.01 0.05 -0.18 -0.01 -0.03 0.07 0.17 -0.04 0.00 0.08 -0.05 -0.04 0.03 -0.03 0.02 0.04 0.21 0.03 0.08 -0.19 -0.03 -0.19 -0.00 0.05 0.05 -0.08 0.00 -0.04 -0.06 -0.05 0.02 0.03 0.02 0.03 0.16 0.07 0.12 -0.09 -0.00 -0.03 0.04 0.05 0.00 -0.04 -0.01 -0.04 -0.09 -0.06 -0.07 0.01 0.03 0.02 0.02 0.01 0.03 -0.05 -0.06 -0.02 0.13 -0.02 0.07 -0.08 0.01 -0.08 -0.01 0.00 -0.04 -0.02 -0.02 -0.00 -0.01 0.02 0.05 -0.01 0.00 0.03 -0.09 -0.01 -0.09 0.15 0.07 0.05 0.06 -0.00 -0.01 0.02 0.03 0.03 0.08 -0.04 -0.02 -0.02 -0.01 0.11 -0.11 -0.13 0.04 -0.04 -0.07 -0.00 -0.04 -0.04 -0.10 -0.26 -0.12 -0.22 -0.12 -0.03 -0.06 0.14 -0.02 -0.04 0.03 0.02 0.05 0.03 0.04 0.15 -0.08 -0.10 -0.01 0.28 0.02 0.16 -0.13 0.01 -0.13 -0.04 -0.03 -0.04 -0.04 -0.06 0.01 -0.03 0.02 -0.12 -0.08 -0.03 -0.01 -0.10 -0.02 -0.00 0.04 -0.12 -0.00 -0.02 0.05 0.11 -0.03 0.00 0.05 -0.03 -0.02 0.02 -0.02 0.01 0.04 -0.30 -0.10 -0.24 0.31 0.12 0.15 0.01 0.02 0.02 -0.02 -0.05 -0.03 -0.05 0.08 0.07 -0.00 0.23 -0.04 -0.02 0.13 -0.13 -0.06 -0.14 0.08 0.02 0.02 -0.00 -0.03 -0.01 -0.02 -0.04 0.22 -0.05 0.11 0.05 -0.17 0.06 -0.01 -0.03 -0.07 -0.05 0.19 -0.10 -0.05 0.14 0.04 -0.20 0.06 -0.00 0.01 -0.02 -0.01 -0.01 0.00 -0.00 0.01 0.02 -0.02 -0.01 0.01 0.08 0.02 -0.16 0.03 -0.23 0.03 0.03 -0.01 -0.00 -0.00 0.01 0.00 0.03 -0.01 -0.00 -0.11 0.16 0.26 -0.09 -0.06 0.09 -0.05 0.03 -0.06 -0.06 0.01 0.03 0.07 0.21 -0.18 0.16 -0.03 -0.04 0.13 0.01 -0.06 0.12 -0.02 -0.08 0.05 0.07 0.07 0.01 0.05 0.16 -0.01 -0.22 0.10 0.12 -0.09 0.03 -0.01 -0.00 -0.02 -0.01 -0.02 -0.00 -0.01 0.01 -0.05 -0.04 -0.01 -0.00 -0.04 -0.01 0.00 0.02 -0.06 0.00 -0.01 0.02 0.05 -0.01 0.00 0.02 -0.01 -0.01 0.01 -0.03 -0.00 0.02 0.04 0.20 -0.09 -0.02 -0.20 0.18 -0.00 0.00 -0.01 0.00 -0.03 -0.03 -0.04 0.05 0.04 0.01 -0.04 0.20 -0.08 -0.04 -0.06 -0.06 -0.06 -0.08 -0.00 -0.01 0.01 0.01 0.01 -0.04 -0.05 -0.17 0.17 -0.00 0.16 -0.02 0.06 -0.02 -0.03 0.10 -0.11 0.05 -0.11 -0.15 0.12 0.10 0.02 -0.11 -0.01 -0.02 0.02 0.01 -0.00 -0.00 0.00 0.01 0.00 0.01 0.01 0.02 0.01 0.17 -0.13 0.00 0.16 -0.13 -0.01 0.01 -0.04 0.01 -0.01 0.02 -0.01 0.01 -0.02 -0.09 -0.03 -0.18 -0.12 0.31 0.08 -0.01 0.03 -0.06 0.00 0.02 -0.00 -0.02 -0.18 0.12 0.17 0.24 0.07 0.12 -0.01 -0.06 0.08 -0.02 -0.05 0.05 0.02 0.05 0.25 -0.04 0.13 -0.18 -0.05 0.15 0.26 0.06 -0.01 -0.01 -0.02 0.02 -0.01 -0.02 0.03 -0.01 -0.01 0.01 0.04 -0.01 -0.01 0.01 0.01 -0.01 -0.00 0.02 -0.02 0.01 0.00 -0.02 0.01 0.01 -0.01 0.01 0.03 0.02 0.04 0.02 0.05 0.14 0.14 -0.09 0.02 0.19 0.03 0.02 -0.02 -0.00 0.03 0.02 -0.01 0.06 0.04 0.03 0.11 0.02 0.07 -0.07 -0.04 -0.04 -0.08 -0.01 -0.09 0.04 0.09 -0.06 -0.12 -0.05 0.05 0.02 -0.01 -0.00 0.03 -0.02 0.03 0.00 -0.00 -0.01 0.10 0.04 0.00 -0.04 0.00 -0.08 -0.01 0.02 0.02 0.03 0.09 -0.14 -0.06 -0.01 0.01 -0.01 -0.00 0.04 -0.12 -0.07 -0.03 -0.05 -0.04 0.02 -0.01 0.00 0.02 0.14 -0.13 0.18 -0.04 0.05 -0.07 0.06 -0.03 0.02 0.09 0.04 0.03 -0.02 0.05 0.07 -0.13 0.07 -0.03 -0.25 -0.04 0.12 0.01 -0.01 0.02 0.19 0.04 0.13 -0.04 -0.00 0.01 -0.02 0.00 0.00 0.00 -0.02 -0.06 0.26 0.08 0.11 -0.07 0.02 -0.08 0.14 0.05 0.13 0.05 0.10 -0.18 0.04 0.06 -0.12 0.05 0.07 -0.14 -0.25 0.04 0.04 -0.14 -0.05 0.06 0.05 -0.20 0.07 -0.01 0.02 0.20 -0.03 -0.03 0.11 -0.07 -0.16 -0.05 -0.24 -0.11 -0.13 0.02 -0.02 0.07 0.11 0.03 0.05 -0.06 0.07 0.00 0.06 0.04 -0.01 0.04 -0.02 -0.04 -0.09 -0.06 -0.05 0.05 0.00 0.04 0.08 -0.01 0.09 -0.00 -0.03 -0.10 0.01 -0.00 0.04 -0.05 -0.01 0.03 -0.05 0.06 -0.02 -0.00 -0.02 -0.04 -0.12 -0.03 0.02 0.03 0.00 0.12 0.05 -0.03 -0.04 0.04 0.08 -0.08 0.02 -0.00 0.02 -0.05 -0.12 -0.10 -0.01 0.01 0.03 0.05 0.08 -0.04 0.01 0.03 -0.05 -0.03 0.09 0.38 -0.00 0.01 0.00 0.01 -0.04 -0.15 0.11 -0.03 -0.04 0.10 -0.06 -0.06 -0.03 -0.03 0.02 0.02 -0.01 0.01 -0.05 -0.01 0.04 -0.19 0.01 -0.11 -0.07 -0.02 0.00 -0.04 -0.02 -0.01 0.00 -0.07 -0.13 -0.26 -0.05 -0.08 0.08 -0.00 0.14 -0.08 -0.05 -0.14 0.08 0.13 -0.04 0.10 0.21 -0.18 0.06 0.06 0.10 -0.05 0.08 0.07 0.16 -0.07 0.07 -0.00 0.05 0.10 -0.08 -0.05 0.06 -0.10 -0.17 -0.09 -0.12 -0.22 -0.16 -0.01 -0.04 -0.11 0.01 0.04 -0.08 -0.16 0.00 -0.06 -0.01 0.06 0.14 -0.06 -0.02 -0.01 -0.05 0.01 0.03 0.08 0.05 0.05 -0.04 -0.00 -0.03 -0.07 0.01 -0.07 0.10 -0.06 -0.02 -0.03 -0.01 -0.03 0.05 0.01 -0.01 0.05 -0.04 0.01 0.01 0.01 0.02 0.10 0.02 -0.01 -0.03 -0.01 -0.10 -0.04 0.02 0.03 -0.03 0.00 0.01 0.17 -0.09 0.01 -0.05 -0.05 -0.05 -0.02 0.04 0.02 -0.05 -0.06 0.02 0.00 -0.02 0.04 -0.17 0.35 0.07 -0.02 -0.01 0.03 0.09 -0.15 -0.05 -0.09 0.02 0.05 -0.12 0.03 0.06 -0.05 -0.11 0.02 0.05 -0.02 -0.11 0.05 0.01 -0.03 0.17 -0.00 0.10 0.08 -0.00 -0.02 0.04 0.01 0.02 0.00 0.06 0.11 0.22 0.04 0.08 -0.08 -0.01 -0.12 0.07 0.05 0.11 -0.11 -0.08 0.17 -0.08 0.06 -0.03 -0.10 0.12 -0.07 0.22 -0.07 0.02 0.27 -0.10 0.01 0.11 0.02 0.02 -0.13 0.11 0.10 -0.16 -0.17 -0.18 -0.14 -0.03 -0.05 0.01 0.03 -0.02 -0.02 -0.03 0.06 0.15 0.00 0.06 -0.13 -0.00 0.07 -0.10 -0.06 -0.02 -0.14 -0.00 0.03 0.01 0.06 0.03 -0.01 0.02 -0.03 -0.03 0.03 -0.05 -0.10 -0.03 -0.03 0.08 0.05 -0.09 0.04 0.00 -0.00 0.05 -0.04 -0.01 0.01 0.01 0.03 0.09 -0.01 -0.03 -0.01 -0.03 -0.07 -0.06 0.04 0.03 0.03 0.00 0.02 -0.10 0.08 0.00 -0.01 -0.07 -0.08 0.13 0.04 0.08 -0.04 -0.06 0.02 0.01 -0.03 0.05 0.05 -0.12 0.17 0.09 -0.02 0.10 -0.07 0.10 -0.16 -0.22 0.01 0.04 -0.16 0.04 0.04 0.10 -0.05 -0.01 0.18 0.05 -0.16 0.06 -0.00 -0.04 0.13 -0.03 0.04 0.16 -0.00 -0.06 0.09 0.01 0.00 0.01 0.11 0.20 0.15 -0.01 0.02 -0.08 -0.01 -0.09 -0.00 0.05 0.07 0.12 0.10 -0.06 0.12 0.07 -0.05 0.09 -0.09 0.22 -0.08 0.10 0.02 -0.02 0.05 0.02 -0.14 0.15 0.03 0.04 -0.15 -0.14 0.05 -0.00 -0.01 0.04 -0.07 -0.08 0.28 0.09 0.18 -0.04 -0.02 0.04 0.13 -0.01 0.03 0.21 -0.03 0.04 -0.02 0.03 0.02 0.02 -0.13 -0.12 0.02 -0.10 -0.11 -0.01 -0.05 0.04 -0.05 -0.07 0.05 -0.02 -0.01 0.00 0.01 0.01 0.02 0.13 0.10 0.02 0.03 0.09 0.13 -0.06 0.02 0.04 0.02 0.10 0.19 -0.13 0.02 -0.09 -0.04 -0.11 -0.12 0.00 -0.01 0.01 -0.01 0.01 -0.00 -0.00 -0.01 -0.01 0.02 0.01 -0.00 -0.10 0.03 -0.12 0.13 0.05 0.02 0.00 -0.01 0.00 0.02 -0.00 0.00 -0.00 0.01 -0.00 0.06 -0.16 -0.16 0.09 -0.11 -0.15 0.04 -0.04 0.07 0.05 -0.01 -0.05 0.20 0.14 0.18 0.10 0.10 0.19 -0.09 0.00 0.06 -0.10 0.03 0.08 -0.05 -0.03 -0.01 0.10 0.12 0.24 -0.22 -0.15 -0.21 -0.02 -0.09 -0.13 0.01 0.00 0.00 0.01 0.00 0.01 0.01 -0.02 0.04 -0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.02 0.03 -0.00 0.01 -0.02 -0.03 0.01 0.00 -0.01 0.01 -0.00 -0.01 0.04 0.01 0.00 -0.17 -0.08 -0.20 0.24 0.12 0.23 0.03 0.00 0.01 -0.08 -0.02 0.00 -0.00 -0.08 -0.03 0.28 0.00 0.07 -0.00 -0.05 0.05 -0.09 -0.09 -0.01 -0.01 -0.00 -0.00 -0.01 0.02 -0.04 -0.03 0.04 -0.13 -0.18 0.02 0.03 -0.05 0.04 0.07 -0.10 0.06 0.05 0.09 0.08 -0.05 0.16 -0.08 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.00 -0.00 -0.01 -0.01 0.03 0.01 0.01 0.09 0.07 0.04 -0.10 -0.02 -0.10 0.01 -0.00 0.01 0.02 -0.01 0.03 -0.00 0.01 -0.03 -0.06 -0.11 -0.12 -0.08 0.09 0.00 0.03 -0.04 0.03 0.04 0.00 -0.09 -0.37 -0.04 -0.24 -0.09 0.03 0.10 0.01 0.02 0.03 -0.04 0.04 0.08 -0.05 0.05 0.13 -0.07 0.04 0.08 0.16 -0.04 -0.07 0.36 -0.02 0.13 0.01 0.00 0.00 0.01 0.00 0.00 0.00 -0.01 0.02 -0.00 0.01 0.00 -0.00 0.01 -0.00 -0.01 0.02 0.00 0.00 -0.01 -0.02 0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.08 0.04 0.07 0.38 0.05 0.17 -0.13 0.00 0.02 0.04 -0.02 -0.01 -0.01 0.03 -0.04 -0.01 -0.00 -0.01 0.01 0.01 0.01 0.01 0.00 -0.00 -0.01 0.00 -0.01 -0.07 -0.04 0.01 -0.08 -0.06 0.06 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.01 -0.02 -0.11 0.18 -0.15 0.12 -0.01 -0.02 -0.13 -0.15 -0.02 -0.04 0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.07 0.10 -0.03 0.12 0.18 -0.07 0.21 -0.05 0.06 0.06 0.01 0.05 -0.05 -0.07 0.01 -0.07 0.10 -0.04 -0.28 -0.06 0.14 -0.02 -0.01 -0.01 0.01 -0.00 -0.00 0.01 -0.03 -0.03 -0.00 0.00 0.01 0.01 -0.02 -0.02 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.02 0.02 0.02 0.02 -0.07 0.15 0.03 -0.07 0.15 0.01 -0.15 0.28 -0.06 0.13 -0.00 -0.07 0.13 -0.02 -0.22 0.25 -0.02 0.01 -0.19 -0.26 0.03 -0.08 -0.14 0.03 -0.08 -0.12 -0.25 -0.09 -0.07 0.02 0.01 0.02 0.01 0.00 -0.00 0.14 0.20 -0.02 -0.00 -0.04 -0.00 -0.04 0.15 0.10 -0.08 0.07 -0.02 -0.06 -0.02 0.06 0.07 -0.09 -0.03 -0.00 -0.00 -0.00 -0.01 -0.01 -0.03 0.00 0.02 -0.05 -0.08 0.05 0.20 0.03 -0.02 -0.02 0.03 -0.00 -0.10 0.01 0.02 -0.09 0.12 -0.16 -0.08 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.00 -0.01 0.01 0.04 0.04 0.03 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 -0.00 -0.00 -0.09 0.20 0.23 -0.07 0.03 0.12 -0.01 0.03 -0.06 -0.03 0.01 0.03 0.25 0.09 0.06 -0.28 -0.03 0.08 0.08 0.00 -0.04 0.09 -0.02 -0.06 0.01 0.06 0.05 0.23 0.09 -0.02 0.21 0.12 0.05 -0.13 -0.33 -0.17 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.02 0.00 0.03 -0.20 -0.23 -0.17 -0.30 -0.03 -0.03 0.01 -0.00 -0.03 -0.01 -0.00 0.00 0.02 -0.03 -0.03 0.03 -0.02 0.00 0.05 0.01 0.01 -0.10 -0.00 -0.04 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.01 0.04 -0.00 -0.03 -0.01 0.01 0.02 -0.04 -0.00 0.02 -0.07 -0.02 -0.02 0.04 0.06 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 0.07 0.02 0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.06 -0.09 0.01 0.03 -0.03 -0.00 -0.01 0.00 0.00 -0.00 -0.02 0.20 0.06 0.15 -0.29 -0.09 -0.27 -0.02 0.00 0.01 -0.02 0.01 0.02 -0.01 -0.00 0.01 0.39 0.11 0.29 0.28 0.06 0.19 -0.18 0.02 -0.09 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 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 -0.31 -0.05 -0.19 -0.32 -0.11 -0.24 0.01 -0.00 -0.01 0.01 0.02 -0.00 -0.03 0.01 -0.01 -0.10 0.01 -0.06 0.18 0.06 0.12 -0.06 -0.04 -0.07 -0.00 -0.00 0.00 0.01 0.00 0.04 0.02 0.04 0.02 -0.07 -0.03 -0.00 0.02 -0.02 -0.03 0.04 -0.02 -0.02 -0.08 -0.04 -0.00 -0.00 -0.02 -0.03 -0.00 0.00 -0.01 0.01 -0.01 0.00 -0.00 0.00 0.01 0.01 0.01 0.01 0.01 -0.01 0.05 -0.10 -0.00 -0.07 -0.00 -0.00 -0.00 0.00 -0.01 -0.02 -0.01 0.00 0.01 -0.00 0.05 0.09 0.01 -0.13 -0.03 -0.00 -0.03 0.05 0.04 -0.00 0.01 0.23 0.09 0.09 -0.10 -0.03 -0.03 0.00 -0.01 -0.02 0.01 -0.02 -0.03 0.02 -0.03 -0.05 0.22 0.07 0.06 0.12 0.03 0.13 0.48 0.10 0.29 0.00 0.01 -0.01 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 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.01 0.01 0.01 -0.02 -0.07 0.30 0.02 0.20 0.38 0.14 0.22 -0.01 0.02 0.06 -0.00 -0.01 0.01 0.02 0.01 0.03 -0.01 -0.04 0.04 -0.01 0.02 0.03 0.06 0.05 0.09 0.00 0.00 -0.00 -0.00 -0.00 -0.03 -0.03 -0.11 -0.00 -0.03 0.04 -0.05 -0.00 0.01 0.01 -0.08 0.04 -0.04 0.00 0.04 -0.12 -0.05 -0.03 0.03 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 0.04 -0.11 0.01 -0.10 0.03 0.00 0.00 0.00 -0.01 0.01 0.02 0.00 -0.00 -0.01 0.00 -0.02 -0.06 -0.00 0.10 0.04 0.01 0.04 -0.05 -0.03 0.00 0.01 0.27 0.00 0.30 0.23 0.07 0.17 0.01 0.01 0.01 0.01 0.00 0.01 -0.01 0.02 0.03 0.24 0.07 0.22 0.45 0.24 0.19 -0.03 0.03 -0.02 -0.00 -0.00 0.01 -0.00 -0.00 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 -0.02 0.02 0.06 0.28 0.22 0.12 0.16 -0.03 0.23 0.01 -0.02 -0.06 -0.01 -0.03 0.01 0.05 -0.01 -0.01 0.08 0.04 -0.03 0.00 -0.05 -0.07 0.13 -0.00 0.03 0.01 0.00 -0.00 -0.01 -0.01 -0.05 -0.06 0.12 -0.07 -0.00 -0.08 -0.01 -0.03 0.03 0.04 -0.07 -0.08 -0.00 -0.08 -0.08 0.11 0.01 0.05 -0.06 0.00 -0.00 0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.01 -0.01 -0.02 -0.02 -0.11 -0.08 0.08 0.00 0.15 -0.03 0.00 0.00 0.00 -0.01 0.02 0.04 0.01 -0.01 -0.02 -0.01 -0.02 -0.05 0.05 0.05 -0.02 0.01 0.05 -0.07 -0.05 0.00 -0.00 0.26 0.18 0.00 0.30 0.10 0.13 -0.02 0.03 0.04 -0.02 0.02 0.03 -0.03 0.04 0.05 0.24 0.08 0.13 0.38 -0.08 0.33 -0.15 -0.07 -0.09 -0.00 -0.01 0.01 -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 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.02 0.04 0.13 0.21 -0.10 0.23 0.13 0.16 -0.11 0.01 -0.04 -0.13 0.02 -0.05 0.04 0.08 0.04 0.02 -0.05 -0.02 -0.03 0.03 0.01 0.02 -0.04 -0.01 -0.02 0.01 0.00 -0.00 0.00 -0.03 -0.13 0.01 -0.01 0.01 0.02 0.01 0.00 -0.03 0.04 0.07 0.03 0.02 0.02 0.01 0.01 0.01 -0.02 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.01 -0.02 -0.06 -0.09 0.03 0.01 0.01 -0.03 -0.02 -0.01 0.00 0.01 0.01 -0.04 0.08 0.14 0.02 -0.03 -0.06 0.05 0.02 -0.02 0.15 0.05 -0.02 0.11 0.25 -0.23 -0.19 0.01 0.10 0.00 -0.01 0.02 -0.17 -0.04 -0.14 -0.04 0.07 0.08 -0.01 0.02 0.03 -0.04 0.07 0.08 -0.16 -0.04 -0.09 -0.16 -0.03 -0.09 0.19 0.07 0.12 -0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.01 0.01 -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 -0.15 0.12 0.45 -0.08 -0.01 -0.05 0.08 0.02 0.06 0.03 -0.13 -0.48 0.01 -0.04 0.02 0.05 0.02 0.01 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.17 0.10 -0.01 -0.03 0.04 -0.05 -0.01 -0.01 -0.00 0.01 0.00 0.01 -0.01 0.01 0.02 0.00 0.00 0.01 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.04 -0.05 0.12 -0.06 0.11 -0.01 0.03 -0.06 -0.11 -0.03 0.03 0.02 0.01 0.00 0.00 -0.01 -0.00 -0.01 0.03 0.00 -0.00 -0.08 -0.13 -0.01 -0.04 0.04 -0.00 0.00 0.01 -0.02 0.07 0.05 0.00 -0.10 -0.17 0.03 0.14 0.02 -0.15 0.05 0.01 0.04 -0.08 -0.02 -0.06 -0.03 0.04 0.03 0.00 -0.00 -0.02 -0.02 0.02 0.01 -0.05 -0.01 -0.03 -0.02 -0.00 -0.01 0.09 0.03 0.05 -0.09 -0.19 0.21 -0.10 -0.17 0.22 -0.05 0.07 -0.18 -0.28 0.11 -0.02 -0.28 0.11 0.01 0.10 -0.18 0.01 -0.05 0.10 0.17 -0.10 -0.22 -0.18 -0.11 -0.20 -0.20 0.15 -0.01 -0.12 -0.04 -0.01 -0.02 0.06 0.02 0.03 -0.14 -0.08 0.15 -0.02 -0.03 -0.01 0.03 0.03 0.03 0.03 -0.01 0.01 -0.05 -0.05 -0.05 0.06 0.01 0.05 -0.04 -0.02 0.00 -0.03 0.00 -0.04 -0.04 -0.02 -0.04 0.09 0.01 0.02 -0.02 0.01 0.02 -0.04 0.02 0.04 0.02 0.01 -0.01 -0.07 -0.02 -0.06 -0.01 0.01 -0.02 0.01 -0.02 0.00 -0.01 0.01 0.02 0.00 0.02 0.05 0.03 0.01 0.04 -0.04 0.02 -0.03 0.00 0.00 -0.00 0.03 -0.00 -0.06 0.01 0.01 0.02 -0.02 0.00 -0.04 -0.01 0.12 0.05 -0.08 -0.06 -0.04 -0.01 -0.00 -0.06 0.21 0.06 0.14 -0.34 -0.07 -0.33 0.02 0.00 -0.01 0.02 0.00 0.01 -0.02 0.05 0.07 -0.15 -0.04 -0.01 0.12 -0.03 0.02 0.41 0.12 0.25 0.02 0.04 -0.04 0.03 0.04 -0.05 0.01 -0.02 0.05 0.06 -0.02 0.00 0.06 -0.02 -0.00 -0.03 0.05 -0.00 0.01 -0.03 -0.05 0.02 0.05 0.04 0.03 0.04 0.04 0.04 -0.05 -0.15 -0.27 -0.08 -0.15 0.26 0.10 0.13 0.03 0.08 0.20 -0.01 0.12 -0.02 -0.12 -0.06 -0.01 0.06 0.02 0.04 -0.06 -0.02 -0.04 0.06 0.02 0.04 0.04 0.03 -0.00 0.07 -0.00 0.17 0.00 0.02 -0.01 0.05 0.01 0.03 0.06 -0.05 -0.10 -0.04 -0.02 -0.02 -0.00 -0.01 -0.02 -0.05 -0.02 -0.04 0.01 -0.01 0.02 -0.01 0.03 -0.00 0.01 -0.01 -0.02 0.01 -0.03 -0.11 0.03 0.01 0.02 -0.02 -0.00 -0.01 -0.02 -0.01 0.00 -0.05 0.02 0.10 -0.03 -0.01 -0.03 -0.06 -0.04 0.01 -0.20 -0.05 0.02 0.21 0.09 0.23 0.06 -0.00 0.15 -0.08 -0.01 -0.06 -0.20 -0.06 -0.14 0.04 -0.09 -0.09 -0.02 -0.03 -0.02 0.09 -0.14 -0.16 0.12 0.02 0.09 0.15 0.01 0.06 0.24 0.07 0.15 -0.03 -0.05 0.05 -0.03 -0.04 0.06 -0.01 0.03 -0.07 -0.07 0.02 -0.01 -0.07 0.02 0.01 0.05 -0.06 0.00 -0.01 0.04 0.07 -0.03 -0.06 -0.04 -0.03 -0.05 -0.05 -0.10 0.09 0.24 -0.20 -0.07 -0.12 0.15 0.05 0.08 -0.03 -0.14 -0.39 -0.02 0.03 0.00 -0.08 0.12 0.13 -0.08 -0.07 -0.02 0.12 -0.09 -0.01 -0.07 -0.06 0.01 0.01 0.01 -0.00 0.02 -0.00 0.03 0.04 -0.08 -0.03 0.07 -0.10 -0.16 0.04 -0.05 -0.06 -0.11 0.11 0.21 0.08 0.03 -0.13 0.08 -0.01 -0.04 0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.01 -0.06 -0.02 0.07 -0.02 0.16 -0.01 -0.00 -0.00 0.00 -0.01 0.00 0.01 -0.01 -0.00 -0.00 -0.10 0.11 0.09 -0.14 0.17 0.16 0.07 0.04 0.04 0.00 0.00 0.05 0.09 -0.04 0.12 0.30 0.14 -0.17 0.10 -0.05 -0.10 0.09 -0.04 -0.06 0.03 0.02 0.01 -0.31 -0.09 0.23 0.06 -0.22 -0.26 -0.13 -0.13 -0.11 -0.01 -0.01 0.01 -0.01 -0.01 0.02 -0.00 0.01 -0.02 -0.02 0.01 -0.00 -0.02 0.01 0.00 0.01 -0.02 0.00 -0.00 0.01 0.02 -0.01 -0.02 -0.01 -0.01 -0.01 -0.01 -0.04 0.00 0.03 0.05 0.07 0.17 -0.13 0.12 -0.12 -0.02 -0.01 -0.04 -0.02 0.02 -0.01 -0.00 -0.04 0.00 0.04 0.01 0.02 0.01 0.02 0.01 -0.04 -0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 0.04 -0.12 -0.00 -0.08 -0.04 0.00 0.01 0.01 -0.01 -0.02 0.10 0.01 0.03 0.00 -0.00 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 -0.02 0.01 0.00 -0.01 0.02 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.02 -0.00 -0.00 -0.00 -0.04 -0.07 -0.09 -0.05 0.08 0.02 0.02 -0.01 0.07 0.02 -0.00 -0.00 0.63 0.21 0.38 0.07 0.01 0.11 0.01 -0.03 -0.02 -0.01 0.00 0.01 0.02 -0.03 -0.02 -0.42 -0.13 -0.31 -0.02 -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 0.01 0.03 -0.01 -0.01 -0.02 -0.11 -0.05 -0.07 0.00 -0.02 -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 -0.00 -0.00 -0.02 0.06 0.16 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.11 -0.05 0.05 -0.01 0.08 -0.06 -0.12 -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 -0.04 0.04 -0.30 -0.04 -0.22 0.21 0.02 0.07 -0.34 0.23 -0.29 -0.09 -0.29 0.23 -0.10 0.10 -0.12 -0.13 0.01 -0.26 -0.41 0.08 0.03 -0.11 0.11 0.09 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 -0.08 0.13 -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 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.07 -0.03 0.11 0.14 -0.05 -0.02 -0.05 0.03 -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 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.10 0.13 -0.24 0.12 -0.16 0.19 0.07 -0.25 0.28 -0.17 0.01 0.01 -0.00 -0.15 0.07 0.31 -0.35 0.07 0.07 -0.17 -0.01 0.07 0.18 0.34 0.06 -0.29 -0.24 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.03 0.02 -0.01 -0.05 -0.04 0.03 -0.01 -0.01 -0.00 0.01 0.01 0.01 0.01 0.00 0.01 0.02 0.01 -0.00 0.11 -0.05 -0.06 0.01 0.03 0.00 -0.05 -0.02 -0.03 -0.01 0.03 0.02 0.01 -0.01 -0.00 -0.02 -0.01 -0.03 -0.05 -0.01 -0.03 0.01 0.00 0.01 0.00 0.01 -0.00 0.01 0.00 -0.01 -0.02 -0.01 0.06 0.04 0.01 0.02 0.04 0.01 0.03 -0.03 -0.01 0.00 -0.01 0.01 -0.06 -0.03 -0.02 0.01 -0.07 -0.08 -0.09 -0.02 0.11 0.02 0.16 0.30 -0.25 -0.15 0.01 0.22 -0.08 0.01 -0.06 0.26 0.06 0.20 0.02 -0.04 -0.01 -0.03 0.04 0.09 0.01 -0.02 0.04 -0.04 -0.04 -0.02 0.15 0.01 0.06 0.29 0.09 0.19 -0.02 -0.03 0.02 -0.02 -0.02 0.03 -0.01 0.02 -0.05 -0.04 0.01 -0.00 -0.03 0.01 0.00 0.03 -0.04 0.00 -0.01 0.03 0.05 -0.02 -0.03 -0.02 -0.02 -0.02 -0.02 -0.20 -0.01 0.11 -0.20 -0.06 -0.14 -0.25 -0.07 -0.15 -0.11 0.14 0.34 -0.01 -0.03 0.01 0.03 0.04 -0.04 -0.00 0.01 -0.00 0.01 0.01 0.01 0.01 0.00 0.01 -0.01 -0.01 0.00 -0.09 0.03 0.03 0.02 -0.03 0.02 -0.05 -0.03 -0.05 0.00 -0.01 -0.00 -0.00 0.02 0.01 -0.03 -0.00 -0.01 -0.06 -0.03 -0.05 -0.01 -0.00 -0.01 -0.00 -0.01 0.00 -0.01 -0.00 0.01 0.01 0.01 -0.04 0.04 0.01 0.03 0.05 0.03 0.04 0.02 0.01 -0.00 0.01 -0.01 0.04 0.02 0.01 -0.01 0.08 0.09 0.12 0.03 -0.14 -0.04 -0.13 -0.22 0.16 0.10 -0.01 -0.16 -0.09 -0.06 -0.04 0.32 0.07 0.22 -0.04 0.05 0.03 0.02 -0.03 -0.07 -0.01 0.02 -0.03 -0.07 0.01 -0.04 0.15 0.09 0.12 0.37 0.08 0.23 0.01 0.02 -0.02 0.01 0.01 -0.02 0.01 -0.02 0.04 0.03 -0.01 0.00 0.03 -0.01 -0.00 -0.02 0.03 -0.00 0.00 -0.02 -0.04 0.01 0.02 0.01 0.02 0.02 0.02 0.15 0.01 -0.08 -0.24 -0.06 -0.14 -0.34 -0.08 -0.19 0.08 -0.10 -0.23 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.03 -0.06 -0.03 0.00 0.01 0.08 -0.03 0.05 -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 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.03 -0.09 0.37 -0.06 0.26 -0.28 -0.07 0.13 0.08 0.25 -0.27 -0.09 -0.26 0.26 -0.12 -0.00 -0.01 -0.16 0.07 -0.12 0.09 0.04 0.15 0.36 0.05 -0.30 -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 -0.03 -0.02 -0.02 0.04 -0.09 0.03 0.03 0.02 -0.02 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.03 -0.02 0.02 0.02 -0.05 0.03 0.04 0.00 0.01 -0.02 0.02 0.03 0.05 0.04 0.05 -0.08 -0.02 -0.03 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.02 -0.04 -0.01 -0.01 -0.00 0.01 0.00 -0.01 -0.01 0.00 0.00 -0.01 -0.02 -0.01 -0.00 -0.00 0.10 0.15 0.23 -0.04 -0.32 -0.08 0.04 0.06 -0.02 -0.01 -0.01 0.08 -0.11 -0.10 -0.06 -0.16 -0.04 -0.15 -0.01 0.03 0.02 0.01 0.00 -0.01 -0.03 0.04 0.03 -0.38 -0.06 -0.24 0.39 0.19 0.30 -0.06 -0.05 -0.05 -0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.00 0.01 -0.02 -0.01 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.01 0.00 -0.00 0.01 0.02 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.03 0.10 0.25 0.15 0.06 0.12 -0.01 0.01 0.01 -0.06 0.08 0.24 -0.01 -0.02 -0.00 0.01 0.03 -0.05 0.02 0.01 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.03 -0.03 -0.05 -0.01 -0.01 -0.01 -0.02 -0.01 -0.00 0.01 -0.05 0.00 -0.02 0.05 0.02 0.05 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.01 -0.07 0.02 0.00 0.02 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 -0.01 -0.03 -0.00 0.00 -0.00 0.07 0.09 0.13 -0.01 -0.18 -0.04 0.02 -0.01 0.06 0.01 -0.02 -0.02 0.20 0.02 0.12 0.11 0.02 0.07 -0.01 0.02 0.01 0.02 -0.01 -0.03 -0.02 0.03 0.01 0.24 0.11 0.14 -0.34 -0.05 -0.17 0.03 -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 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.21 0.55 -0.12 -0.03 -0.06 0.01 0.02 0.03 -0.06 0.15 0.45 -0.02 0.02 0.03 0.05 -0.03 0.10 -0.04 -0.03 -0.02 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.08 0.05 0.00 0.03 0.07 0.01 -0.01 0.01 0.02 0.04 -0.04 -0.05 0.04 -0.02 0.00 -0.03 -0.02 -0.04 -0.01 0.02 0.02 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.01 -0.03 -0.07 -0.00 0.00 -0.02 0.01 -0.01 -0.00 0.02 0.01 -0.00 0.00 -0.01 -0.01 0.02 0.01 -0.00 -0.09 -0.14 -0.24 0.08 0.36 0.09 -0.05 -0.14 0.15 0.04 -0.02 -0.22 -0.21 0.01 -0.14 -0.07 0.00 -0.02 0.01 -0.01 -0.03 0.01 -0.03 -0.04 0.04 -0.04 -0.05 -0.13 -0.09 -0.08 0.25 -0.01 0.10 -0.02 0.04 -0.00 0.01 0.02 -0.02 0.01 0.01 -0.02 0.01 -0.02 0.04 0.03 -0.01 0.00 0.02 -0.00 -0.00 -0.03 0.03 -0.00 0.00 -0.02 -0.03 0.01 0.02 0.01 0.01 0.02 0.02 0.04 0.18 0.50 0.07 0.01 0.02 -0.00 -0.02 -0.03 -0.00 0.11 0.35 -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 0.04 0.02 0.03 -0.00 -0.00 -0.00 -0.02 -0.01 -0.01 0.02 0.01 0.02 -0.05 -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 -0.08 -0.03 -0.05 0.08 0.01 0.05 -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 0.01 0.01 0.01 0.00 0.00 0.00 0.01 0.06 0.02 0.04 -0.30 -0.05 -0.22 0.01 -0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.01 0.12 0.03 0.07 -0.14 -0.05 -0.09 0.30 0.11 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 0.00 -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 0.47 0.14 0.30 -0.45 -0.15 -0.30 -0.00 0.00 0.01 0.14 0.02 0.06 -0.13 -0.10 -0.01 -0.01 0.07 0.05 -0.02 0.07 -0.01 -0.01 0.02 0.01 -0.01 -0.00 0.00 -0.06 0.03 -0.11 -0.01 -0.03 0.00 0.03 -0.01 -0.02 0.10 0.04 0.06 -0.01 0.00 0.01 0.02 0.01 -0.03 0.05 -0.05 -0.05 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.02 -0.02 -0.01 -0.04 -0.01 0.06 0.00 0.01 -0.00 0.02 0.01 -0.00 -0.01 -0.01 -0.00 0.02 0.01 -0.00 -0.14 -0.09 -0.01 -0.05 -0.05 -0.04 -0.10 -0.07 -0.07 0.00 0.00 -0.16 0.08 -0.01 0.02 -0.03 -0.02 -0.06 -0.38 0.24 0.35 -0.26 -0.00 -0.05 0.14 -0.33 -0.47 -0.02 -0.06 0.06 -0.01 0.04 -0.03 0.04 -0.05 -0.06 0.01 0.02 -0.01 0.01 0.01 -0.01 0.00 -0.02 0.03 0.02 -0.00 0.00 0.02 -0.00 -0.00 -0.03 0.03 -0.00 0.00 -0.02 -0.03 0.01 0.02 0.01 0.01 0.01 0.01 0.04 0.01 0.06 -0.04 0.05 0.09 -0.02 0.00 0.01 0.02 0.01 0.06 -0.05 0.00 -0.01 0.06 -0.04 0.02 -0.02 0.02 -0.01 0.01 0.09 -0.05 -0.01 0.07 -0.02 0.00 0.00 -0.00 0.02 0.00 0.02 0.04 -0.08 -0.01 -0.04 0.08 -0.00 -0.02 -0.01 -0.03 -0.02 0.03 0.02 -0.03 -0.01 0.04 0.08 -0.04 -0.12 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.12 -0.00 0.21 0.07 -0.17 -0.03 -0.01 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.10 -0.14 0.09 0.12 0.00 0.04 0.02 0.03 0.00 0.00 0.02 0.09 -0.11 -0.15 0.06 0.35 -0.13 0.11 -0.10 -0.11 0.05 0.01 0.05 -0.02 0.05 0.12 -0.02 0.06 0.00 -0.07 0.09 0.08 0.14 0.23 -0.33 -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 0.00 0.00 0.01 -0.01 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.01 -0.01 -0.28 0.23 0.26 0.20 -0.21 -0.22 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 -0.01 0.02 0.07 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.09 0.02 -0.02 -0.01 -0.03 0.06 0.11 0.00 -0.06 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -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 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.12 0.23 -0.29 0.16 0.02 -0.04 0.06 -0.20 0.28 0.25 -0.17 -0.02 -0.03 0.12 -0.07 -0.10 0.12 -0.08 -0.05 0.30 0.40 -0.17 -0.30 -0.18 -0.22 -0.17 -0.17 -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 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.03 0.06 -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 0.06 0.05 0.06 -0.05 -0.11 -0.01 -0.00 0.04 -0.04 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 -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 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.11 -0.15 -0.00 -0.13 -0.23 0.29 -0.02 0.13 -0.36 0.30 -0.00 0.06 0.39 -0.11 -0.04 -0.31 0.38 0.00 0.03 0.00 0.13 -0.01 0.04 0.17 -0.02 -0.21 -0.19 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.05 0.01 -0.01 0.10 -0.10 0.00 -0.05 0.10 0.03 -0.06 0.17 0.02 -0.01 0.03 0.00 0.00 0.00 0.00 0.02 0.02 0.02 0.03 -0.09 -0.00 0.07 -0.10 -0.04 -0.03 0.01 -0.04 -0.01 0.03 0.00 -0.01 0.02 0.01 0.05 -0.10 -0.02 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 -0.03 -0.01 -0.05 0.12 0.02 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.01 -0.21 -0.29 0.20 0.15 -0.05 0.03 0.01 0.04 0.02 0.01 -0.01 0.12 -0.12 -0.19 -0.05 -0.37 0.10 0.12 -0.17 -0.14 -0.01 0.05 0.14 -0.01 0.00 0.12 -0.01 0.04 -0.01 -0.10 0.22 0.07 0.01 -0.34 0.16 -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 0.00 -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 -0.03 -0.02 -0.01 0.08 -0.07 -0.00 -0.21 0.15 0.24 0.02 0.01 -0.01 -0.02 0.02 0.05 -0.05 0.03 0.04 0.05 -0.02 -0.06 0.02 -0.03 -0.03 0.04 -0.01 -0.05 0.00 -0.00 0.00 0.05 0.10 -0.06 0.08 -0.12 -0.08 -0.03 0.01 0.05 0.04 -0.05 -0.01 -0.05 0.11 0.03 -0.07 -0.01 0.11 -0.05 0.04 0.06 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.07 -0.10 0.05 0.03 0.00 -0.04 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.01 0.04 -0.02 0.01 -0.02 0.01 -0.15 0.06 0.09 0.03 0.00 -0.00 0.23 0.04 0.14 0.11 0.06 -0.21 0.28 -0.17 -0.36 -0.04 -0.03 0.08 -0.07 0.12 0.07 0.04 -0.08 -0.16 0.02 -0.01 -0.11 0.01 0.45 -0.23 -0.08 0.01 0.13 -0.06 -0.03 0.11 -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 0.00 -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 -0.15 -0.13 -0.02 0.08 -0.10 -0.07 0.05 -0.02 -0.07 0.09 0.05 0.02 -0.03 -0.01 0.00 0.03 0.00 -0.06 -0.00 0.01 0.03 -0.02 0.00 0.02 -0.02 0.00 0.04 -0.00 -0.00 0.00 0.08 0.16 -0.02 -0.06 0.06 0.05 0.02 -0.01 -0.03 -0.01 -0.06 0.02 0.03 -0.06 -0.02 0.03 0.01 -0.06 0.03 -0.02 -0.03 0.01 0.01 0.00 0.01 0.01 -0.00 0.01 0.01 -0.01 -0.09 -0.15 0.06 -0.01 -0.00 0.02 -0.00 0.01 0.00 -0.03 -0.02 0.00 -0.00 0.08 -0.03 -0.01 -0.05 0.01 0.05 0.03 0.03 0.10 -0.12 -0.10 0.25 -0.01 0.24 0.24 0.09 -0.29 -0.17 0.10 0.28 0.03 0.02 -0.05 -0.01 0.18 0.05 0.15 -0.13 -0.26 -0.09 0.17 0.03 -0.00 -0.27 0.13 0.02 0.04 -0.06 0.04 0.04 -0.08 -0.02 -0.02 0.00 -0.02 -0.02 0.03 -0.00 0.02 -0.05 -0.02 -0.00 -0.01 -0.02 0.00 0.01 0.03 -0.03 0.00 -0.00 0.03 0.06 -0.02 -0.03 -0.00 -0.02 -0.03 -0.03 -0.20 -0.18 0.01 -0.05 0.07 0.04 -0.04 0.01 0.05 0.23 0.10 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.02 0.01 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.01 0.03 0.02 -0.00 0.10 0.04 -0.00 -0.01 0.01 0.01 0.00 0.00 -0.00 -0.02 0.01 -0.02 0.01 -0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 -0.06 -0.03 -0.01 -0.05 -0.05 0.00 -0.06 -0.03 0.02 -0.12 -0.03 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.18 0.10 -0.01 -0.14 -0.15 0.03 0.12 0.10 -0.02 -0.01 0.03 0.04 0.03 -0.06 -0.04 0.12 0.08 -0.01 0.24 0.11 0.10 -0.03 0.02 0.06 0.01 0.01 -0.01 0.09 -0.10 -0.09 0.01 0.04 0.09 -0.01 0.00 0.08 0.00 -0.04 0.02 0.00 0.01 -0.01 0.01 0.02 -0.02 0.08 0.13 -0.06 0.11 0.08 -0.11 0.03 -0.14 0.28 0.16 -0.00 0.04 0.16 -0.01 -0.04 -0.20 0.23 -0.01 0.02 -0.18 -0.26 0.09 0.14 0.04 0.12 0.09 0.09 -0.18 -0.05 -0.00 -0.01 0.01 0.01 -0.00 0.00 0.01 -0.39 -0.17 0.03 -0.06 -0.03 0.12 0.01 0.03 -0.03 0.02 0.01 -0.00 0.00 -0.03 0.01 -0.01 -0.02 0.02 -0.01 -0.00 0.00 -0.02 0.02 -0.05 -0.02 0.00 0.02 0.00 0.01 -0.01 0.05 0.07 -0.12 0.01 -0.00 -0.01 0.01 -0.00 -0.01 -0.00 0.01 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.02 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.01 0.00 0.01 0.02 -0.01 -0.01 -0.01 0.00 -0.16 0.10 0.16 0.24 -0.15 -0.13 0.07 0.02 0.02 0.05 0.04 0.01 -0.06 0.02 0.12 0.02 0.07 -0.04 0.07 -0.42 -0.18 -0.27 0.21 0.46 0.19 -0.38 -0.08 0.00 -0.02 0.01 0.00 0.01 -0.01 0.01 0.07 -0.04 -0.01 -0.01 0.00 -0.01 -0.01 0.01 -0.00 0.01 -0.03 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.02 -0.02 0.00 -0.00 0.02 0.02 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 0.03 -0.02 -0.01 0.00 -0.02 -0.01 -0.00 -0.00 0.01 0.10 0.04 0.02 -0.10 0.10 0.14 0.02 0.00 -0.03 0.03 0.01 0.00 -0.01 0.00 0.01 -0.01 0.01 0.02 0.00 0.01 -0.00 -0.04 -0.08 -0.09 -0.01 0.00 0.01 0.01 -0.01 -0.01 0.06 -0.13 -0.04 0.01 -0.02 -0.01 -0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.05 0.09 0.03 -0.00 -0.00 0.00 -0.01 0.01 0.01 0.02 0.01 0.00 -0.00 -0.04 0.00 -0.00 0.03 -0.01 0.03 0.02 0.03 0.29 -0.09 -0.15 0.34 0.20 0.06 -0.47 -0.15 -0.05 -0.02 0.02 0.07 0.01 -0.01 -0.01 -0.04 0.19 0.05 0.18 -0.19 -0.35 -0.03 0.12 -0.08 0.00 -0.07 0.03 -0.04 0.08 0.02 0.02 0.03 -0.04 0.01 0.01 0.00 0.01 0.01 -0.02 0.00 -0.01 0.03 0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.01 0.02 -0.00 -0.00 -0.01 -0.03 0.01 0.01 -0.00 0.01 0.02 0.01 -0.03 0.04 -0.12 -0.02 0.03 0.01 -0.05 0.01 0.07 -0.28 -0.05 0.02 0.01 -0.00 -0.01 -0.01 0.00 0.01 0.01 -0.02 -0.01 -0.02 -0.05 0.06 -0.02 0.02 0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.02 -0.01 0.03 -0.05 -0.02 -0.00 0.00 0.00 0.01 0.03 -0.04 -0.00 -0.05 0.03 0.04 0.03 -0.07 0.00 0.00 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 -0.03 -0.01 0.06 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 0.00 -0.00 -0.04 0.02 0.03 -0.02 -0.01 -0.01 0.01 0.00 -0.00 0.05 0.01 -0.09 0.01 -0.13 0.02 -0.00 0.00 0.01 -0.01 0.00 0.01 0.00 -0.00 -0.00 0.06 0.27 -0.22 0.08 -0.23 -0.02 0.10 0.40 -0.36 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.10 0.24 0.05 -0.34 0.04 0.52 0.01 0.00 -0.00 -0.00 -0.01 0.01 -0.02 0.04 0.01 0.03 -0.08 -0.02 -0.01 -0.01 0.03 0.00 0.04 -0.03 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.02 0.03 -0.04 0.02 -0.08 0.02 0.01 0.01 -0.01 0.01 -0.04 0.00 -0.03 0.03 0.03 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 -0.02 0.07 -0.01 0.02 0.00 -0.03 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.06 0.06 -0.09 -0.00 0.04 0.02 0.00 0.01 0.01 0.00 0.00 0.04 0.02 -0.07 -0.06 -0.40 0.22 -0.01 -0.03 -0.00 -0.03 0.02 0.04 0.02 -0.04 -0.02 -0.02 -0.20 0.13 -0.10 0.19 0.07 -0.01 -0.15 0.10 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.28 0.66 0.15 0.12 -0.02 -0.18 0.01 0.00 0.00 0.01 -0.00 -0.01 -0.01 0.01 0.03 0.03 -0.02 -0.05 0.02 -0.04 -0.01 -0.03 0.01 0.05 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.02 0.00 -0.03 0.00 -0.01 -0.00 0.00 0.01 0.01 0.02 -0.04 -0.01 -0.02 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 -0.01 -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 -0.07 0.02 0.04 -0.07 0.05 0.05 -0.02 -0.01 -0.01 0.02 0.01 0.01 0.12 -0.02 -0.20 0.04 0.15 -0.11 -0.01 0.01 0.02 -0.02 0.01 0.01 0.01 -0.01 -0.01 -0.04 -0.32 0.21 -0.29 0.62 0.18 0.03 0.19 -0.15 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -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 0.10 -0.22 -0.06 -0.17 0.03 0.25 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 -0.04 0.11 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.04 -0.06 -0.10 0.01 -0.03 -0.13 -0.00 -0.03 -0.08 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 0.00 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 -0.01 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 0.04 -0.00 0.28 -0.06 0.26 -0.33 -0.09 0.20 0.09 -0.20 0.34 0.11 0.29 -0.35 0.14 0.01 0.02 0.30 0.02 -0.07 0.01 -0.04 -0.07 0.02 -0.03 -0.15 -0.15 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.03 -0.03 -0.02 0.02 0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.15 0.24 -0.11 0.01 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 0.02 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.05 -0.10 0.01 0.05 -0.06 0.05 0.06 -0.10 0.06 0.01 0.00 0.01 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 0.04 -0.00 -0.02 -0.10 0.02 0.05 0.09 0.03 0.07 -0.04 -0.02 -0.05 -0.00 -0.00 -0.02 0.00 0.01 -0.01 -0.07 0.00 0.06 -0.08 0.01 0.01 0.04 -0.06 -0.07 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.02 -0.13 0.36 -0.12 0.13 -0.14 -0.09 0.14 0.11 0.20 -0.16 -0.02 0.04 0.06 -0.06 0.03 -0.03 -0.10 -0.13 0.21 -0.17 -0.00 -0.16 -0.43 -0.12 0.30 0.26 -0.08 -0.01 -0.02 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.06 -0.00 -0.01 0.11 0.09 0.07 -0.09 -0.03 0.01 0.04 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.03 0.04 -0.02 -0.02 -0.01 -0.03 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.09 -0.05 -0.04 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.02 0.00 0.01 -0.01 0.01 0.01 -0.02 0.01 -0.03 -0.02 -0.02 -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 -0.01 0.00 -0.18 0.01 0.07 0.38 -0.09 -0.19 -0.35 -0.12 -0.23 0.18 0.08 0.13 -0.01 0.00 0.07 -0.02 -0.05 0.03 0.27 -0.03 -0.22 0.29 -0.03 -0.01 -0.13 0.23 0.29 0.00 0.00 -0.00 -0.02 0.04 0.02 0.00 0.02 -0.02 -0.01 -0.03 0.07 -0.03 0.03 -0.03 -0.02 0.03 0.02 0.03 -0.03 -0.00 0.01 0.01 -0.01 0.01 -0.01 -0.01 -0.02 0.04 -0.02 -0.00 -0.04 -0.08 -0.03 0.05 0.04 0.19 0.03 0.06 -0.02 0.04 0.01 0.00 0.00 -0.00 0.20 0.03 0.01 -0.00 -0.00 0.04 -0.02 0.03 -0.02 0.00 -0.07 0.03 0.05 0.04 -0.10 0.05 0.17 -0.16 -0.00 0.00 -0.00 -0.01 -0.00 -0.02 0.00 0.01 -0.01 -0.03 -0.02 0.06 0.00 -0.00 -0.02 -0.03 0.01 0.05 -0.02 -0.00 0.04 0.01 -0.02 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 0.01 0.00 0.01 -0.06 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.18 0.03 0.02 -0.08 -0.05 0.01 0.02 0.01 -0.00 0.06 0.03 0.05 -0.04 0.02 0.06 -0.04 -0.05 0.09 0.02 -0.03 -0.03 0.01 0.00 0.02 0.01 -0.01 0.01 -0.11 -0.36 0.34 0.13 -0.35 -0.05 -0.00 -0.13 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 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.05 0.00 0.00 0.12 -0.25 -0.06 -0.30 -0.01 0.48 0.05 0.01 0.01 0.02 -0.01 -0.05 -0.01 0.01 0.05 0.07 -0.04 -0.11 0.01 0.09 -0.06 -0.00 -0.00 0.01 -0.00 -0.01 0.00 0.01 0.02 0.03 0.01 -0.05 0.00 -0.00 -0.00 0.01 -0.01 0.02 0.01 0.00 -0.03 0.01 -0.01 0.00 0.02 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.03 0.00 -0.01 -0.01 -0.01 0.02 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.02 -0.01 0.01 -0.01 0.01 -0.00 -0.43 0.08 0.14 0.07 0.07 0.01 -0.02 -0.03 0.04 -0.19 -0.08 -0.18 -0.37 0.02 0.57 -0.05 -0.20 0.15 -0.01 0.00 0.01 -0.03 0.02 0.02 0.00 -0.01 -0.00 0.02 0.09 -0.09 -0.03 0.02 0.03 0.02 0.09 -0.08 -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 -0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.19 -0.02 -0.01 0.03 -0.09 0.00 -0.04 0.02 0.06 -0.19 -0.03 -0.03 -0.07 0.03 0.01 0.02 0.03 0.00 0.03 -0.04 -0.05 -0.01 0.07 -0.02 -0.01 -0.02 0.03 0.02 0.02 -0.00 0.00 -0.06 -0.03 0.01 -0.01 -0.01 0.01 0.00 -0.01 0.05 -0.02 0.01 0.01 -0.03 -0.00 -0.01 0.01 0.01 0.00 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.06 0.00 0.01 -0.01 -0.01 0.02 -0.00 0.02 -0.00 0.00 0.00 -0.00 -0.04 0.01 -0.01 0.01 -0.02 0.01 0.20 0.00 -0.04 -0.23 0.07 0.12 0.03 0.07 -0.10 0.31 0.13 0.35 -0.18 0.02 0.26 -0.01 -0.08 0.05 -0.10 0.07 0.09 -0.06 -0.03 -0.07 0.02 -0.01 -0.10 0.04 0.14 -0.14 -0.03 0.06 0.02 0.02 0.08 -0.06 0.01 0.02 0.00 0.02 0.01 -0.01 -0.00 -0.01 0.03 0.03 0.00 0.01 0.03 0.00 -0.01 -0.02 0.03 -0.00 -0.00 -0.02 -0.03 0.01 0.02 -0.01 0.02 0.01 0.01 0.45 0.05 0.02 0.02 -0.07 0.00 0.01 0.02 -0.02 0.40 0.06 0.05 0.03 -0.01 0.07 -0.04 0.01 -0.02 -0.01 -0.02 0.02 0.02 0.05 -0.05 0.01 -0.06 0.02 -0.14 -0.08 0.01 -0.02 0.02 -0.04 0.01 0.00 -0.01 -0.00 0.00 0.01 -0.02 -0.01 -0.03 -0.00 -0.03 0.01 0.01 0.03 -0.02 -0.01 -0.00 0.02 0.04 0.02 0.00 0.04 0.03 -0.00 0.04 0.02 -0.01 -0.01 0.00 -0.00 -0.01 0.01 0.02 -0.00 0.02 -0.00 0.04 0.02 -0.00 0.02 -0.05 0.02 0.05 0.04 -0.01 0.51 -0.06 -0.13 -0.31 0.00 0.10 0.01 -0.02 0.03 0.10 0.05 0.01 -0.00 0.01 0.01 -0.05 -0.20 0.15 0.07 -0.06 -0.08 0.08 0.01 0.04 -0.00 0.00 0.09 0.03 0.10 -0.09 -0.02 0.08 -0.01 0.03 0.26 -0.17 -0.07 -0.10 0.00 -0.11 -0.03 0.05 -0.00 0.07 -0.13 -0.11 -0.04 -0.04 -0.11 -0.03 0.06 0.11 -0.11 0.01 0.00 0.09 0.12 -0.07 -0.10 0.01 -0.12 -0.03 -0.04 -0.31 -0.02 -0.01 0.04 -0.09 -0.01 0.03 0.02 -0.05 -0.17 -0.06 0.01 0.03 -0.03 0.02 -0.01 -0.00 -0.02 -0.04 0.04 0.05 0.06 0.01 -0.10 0.04 -0.10 -0.01 0.14 0.08 -0.01 -0.01 0.01 0.00 -0.01 -0.01 0.02 -0.02 0.00 0.04 -0.02 0.01 -0.01 -0.02 -0.01 0.04 0.02 0.03 -0.04 -0.02 0.02 0.02 -0.04 -0.02 -0.00 -0.04 -0.03 0.00 -0.04 -0.02 0.01 0.03 -0.01 0.01 -0.01 0.02 0.01 -0.01 0.01 0.01 -0.05 -0.03 0.00 0.01 0.05 -0.02 -0.05 -0.04 0.01 0.21 -0.05 -0.10 -0.04 -0.05 -0.01 0.09 0.01 0.09 -0.19 -0.08 -0.15 0.07 -0.02 -0.10 -0.12 -0.40 0.32 0.05 -0.05 -0.06 0.04 0.02 0.04 -0.00 -0.01 0.06 -0.02 -0.04 0.05 -0.00 0.08 -0.03 0.04 0.43 -0.28 0.07 0.11 -0.00 0.12 0.03 -0.05 0.00 -0.07 0.13 0.11 0.04 0.05 0.11 0.04 -0.06 -0.11 0.11 -0.01 -0.00 -0.09 -0.11 0.07 0.11 -0.01 0.12 0.03 0.04 0.11 -0.01 0.00 0.02 -0.03 0.00 0.03 0.01 -0.05 -0.00 0.05 -0.02 -0.08 0.02 -0.08 0.06 -0.01 0.01 -0.03 0.08 0.03 0.06 -0.05 -0.07 0.05 -0.06 -0.04 -0.09 -0.05 0.01 0.03 -0.03 0.03 -0.02 -0.02 0.04 -0.02 0.00 0.04 0.04 -0.00 0.04 -0.03 0.02 0.03 0.02 0.00 -0.03 -0.01 0.04 0.01 0.03 0.01 0.00 0.02 0.02 -0.00 0.03 0.01 -0.00 -0.04 0.01 -0.01 -0.00 0.02 -0.01 -0.01 -0.00 0.02 0.03 0.02 -0.00 -0.02 -0.03 0.01 0.04 0.02 -0.00 -0.36 0.02 0.02 0.42 -0.06 -0.16 -0.09 0.02 -0.12 0.16 0.06 0.18 0.07 -0.04 -0.09 -0.09 -0.29 0.25 -0.12 0.10 0.13 -0.13 -0.03 -0.09 0.01 0.01 -0.16 -0.06 -0.17 0.18 0.01 0.01 -0.02 0.02 0.24 -0.15 -0.05 -0.07 0.00 -0.07 -0.01 0.03 -0.00 0.04 -0.08 -0.07 -0.03 -0.03 -0.07 -0.02 0.03 0.06 -0.06 0.00 0.00 0.05 0.07 -0.05 -0.07 0.01 -0.07 -0.02 -0.02 0.07 0.03 0.00 -0.03 0.09 0.02 0.01 -0.01 -0.01 0.12 -0.02 0.02 0.03 -0.02 -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 -0.06 -0.03 0.00 -0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 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 0.02 0.01 0.00 0.02 0.01 -0.00 0.02 0.01 -0.00 -0.00 -0.07 0.04 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.03 0.01 -0.00 -0.07 0.08 -0.04 0.03 0.02 -0.00 -0.04 -0.00 0.01 -0.02 0.00 0.01 0.23 0.07 0.15 -0.14 -0.07 -0.09 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.04 -0.03 -0.03 0.02 0.02 0.03 -0.01 0.00 0.05 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.03 -0.04 0.00 -0.05 -0.01 0.02 -0.00 0.03 -0.04 -0.04 -0.02 -0.02 -0.04 -0.01 0.02 0.03 -0.03 0.00 0.00 0.03 0.04 -0.03 -0.04 0.01 -0.05 -0.01 -0.01 0.78 -0.01 0.05 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.47 0.04 -0.08 0.07 -0.03 -0.02 -0.01 -0.01 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.03 -0.02 0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.04 0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.06 0.08 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.03 0.02 -0.00 -0.06 -0.06 0.01 0.03 -0.00 0.00 -0.09 -0.00 0.02 -0.05 0.01 0.02 0.43 0.19 0.26 -0.30 -0.14 -0.22 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.06 -0.04 -0.06 0.06 0.03 0.06 -0.01 -0.01 0.09 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.02 -0.00 -0.02 -0.00 0.01 0.00 0.01 -0.01 -0.02 -0.01 -0.01 -0.02 -0.01 0.01 0.01 -0.01 0.00 0.00 0.01 0.01 -0.02 -0.02 0.00 -0.03 -0.00 -0.01 0.06 0.09 -0.05 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.67 0.01 0.09 -0.03 -0.03 -0.05 -0.05 0.05 0.03 -0.01 -0.10 0.10 0.05 0.02 -0.08 -0.10 0.11 0.10 -0.01 -0.00 0.00 0.03 0.00 0.04 0.00 0.04 -0.02 0.01 -0.11 0.03 0.02 0.02 0.03 0.03 -0.07 -0.02 -0.00 0.04 -0.02 -0.02 -0.13 0.10 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 -0.05 0.13 0.02 0.06 0.03 -0.11 0.01 0.00 -0.00 -0.02 -0.00 0.00 0.01 0.00 0.00 0.09 0.00 -0.05 0.54 -0.16 -0.23 -0.05 -0.01 -0.03 -0.12 -0.06 -0.07 0.14 0.03 -0.20 0.05 0.05 -0.09 -0.00 -0.07 0.02 -0.07 -0.02 -0.09 0.02 -0.06 -0.12 0.11 0.31 -0.32 0.07 -0.09 -0.06 0.01 0.13 -0.09 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.06 0.01 0.00 0.11 -0.21 -0.07 0.02 0.04 -0.05 0.08 0.00 -0.00 0.04 0.03 0.01 0.05 -0.05 -0.03 -0.00 0.15 -0.09 0.14 -0.14 -0.15 -0.12 0.12 0.14 0.01 0.01 -0.00 -0.10 -0.03 -0.05 -0.06 -0.02 0.11 -0.03 -0.06 0.08 -0.02 -0.02 -0.02 0.01 0.10 -0.07 0.05 -0.13 -0.01 0.00 -0.06 0.03 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 0.00 0.01 -0.02 0.06 -0.00 0.04 0.00 -0.07 -0.01 -0.01 0.00 0.04 0.00 0.00 -0.01 0.00 -0.00 -0.14 0.00 0.04 -0.35 0.13 0.15 0.30 0.10 0.21 0.36 0.14 0.20 -0.04 -0.04 0.06 -0.05 -0.12 0.12 -0.03 0.11 0.01 0.04 0.03 0.14 -0.03 0.10 0.15 0.01 0.10 -0.06 -0.04 0.04 0.04 -0.03 -0.21 0.14 0.01 0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 0.01 -0.01 -0.01 0.01 0.00 -0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.01 0.01 -0.12 -0.01 -0.01 -0.04 0.11 0.01 -0.03 0.02 0.04 -0.14 -0.01 0.00 0.03 -0.02 -0.08 -0.06 0.02 0.06 0.01 -0.01 0.01 -0.02 0.02 0.02 0.02 -0.02 -0.03 0.01 0.01 -0.00 -0.12 -0.04 -0.02 0.02 -0.00 -0.03 0.00 0.01 -0.00 -0.01 0.02 0.01 -0.01 -0.02 0.02 -0.01 0.01 0.00 -0.00 0.02 -0.01 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.01 0.02 0.01 0.01 0.01 -0.02 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.00 0.04 -0.00 0.00 -0.01 0.00 -0.00 0.19 -0.05 -0.10 0.44 -0.02 -0.17 0.46 0.15 0.35 0.43 0.15 0.23 -0.04 0.02 0.07 0.01 0.06 -0.04 -0.01 0.00 0.01 -0.04 0.02 0.03 -0.01 0.02 0.01 -0.00 0.00 0.00 -0.02 0.04 0.01 -0.00 0.00 0.01 0.01 0.01 -0.00 0.01 0.00 -0.01 -0.00 0.00 0.00 -0.03 0.03 0.02 -0.03 0.02 -0.02 -0.02 0.04 -0.00 -0.02 0.02 0.04 0.03 0.03 0.04 0.02 0.05 0.03 -0.12 -0.01 -0.01 -0.02 0.04 0.01 -0.02 0.00 0.04 -0.14 -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 -0.00 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 0.01 0.04 -0.07 0.02 -0.01 -0.00 -0.01 -0.06 -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 -0.01 0.00 0.01 -0.03 0.00 0.01 -0.03 -0.01 -0.02 -0.03 -0.01 -0.02 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 -0.12 -0.09 0.30 -0.04 -0.28 0.20 0.10 -0.11 0.32 -0.07 0.05 0.03 -0.09 0.03 -0.03 -0.04 0.09 0.02 -0.12 0.21 0.38 0.18 0.17 0.36 0.05 0.39 0.20 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 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 0.01 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 -0.04 0.06 0.08 -0.07 0.00 -0.00 -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 0.00 -0.02 0.00 0.01 -0.03 0.00 0.01 -0.03 -0.01 -0.03 -0.03 -0.01 -0.02 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 0.13 0.09 -0.28 0.02 0.25 -0.18 -0.11 0.13 -0.27 -0.37 0.21 0.15 -0.37 0.19 -0.16 -0.20 0.41 -0.03 -0.05 0.09 0.11 0.07 0.07 0.12 0.00 0.12 0.06 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.03 -0.03 -0.01 -0.09 0.03 0.06 0.03 0.07 -0.07 0.03 -0.05 -0.03 -0.02 0.01 0.02 -0.01 -0.00 0.00 0.06 0.02 0.03 -0.01 -0.02 0.02 -0.02 0.02 0.02 0.01 0.03 0.02 -0.01 0.04 -0.00 0.02 -0.07 0.00 0.01 0.04 -0.04 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 -0.04 -0.01 0.00 -0.01 0.00 0.01 0.00 -0.00 -0.02 -0.00 -0.00 0.01 -0.00 0.00 0.59 -0.13 -0.26 0.27 0.02 -0.11 -0.16 -0.07 -0.09 -0.22 -0.08 -0.12 -0.11 0.01 0.20 -0.03 -0.00 0.04 0.05 -0.16 -0.03 0.01 -0.04 -0.18 0.05 -0.14 -0.14 -0.02 0.02 0.02 -0.09 0.15 0.07 -0.03 -0.20 0.14 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.06 0.01 0.01 -0.08 0.16 0.05 -0.07 -0.00 0.12 0.08 0.01 -0.00 0.00 0.01 0.01 0.04 -0.04 -0.04 -0.07 0.08 0.06 0.02 -0.00 -0.03 0.05 -0.04 -0.06 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.04 -0.01 -0.06 -0.03 -0.10 0.10 -0.01 -0.01 -0.00 -0.04 -0.10 0.10 0.02 0.03 -0.04 -0.04 0.05 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 0.02 -0.00 -0.03 0.06 -0.00 -0.09 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.07 0.01 0.07 -0.10 0.05 0.03 -0.03 -0.02 -0.02 -0.03 -0.00 -0.00 -0.18 0.04 0.26 0.07 0.41 -0.26 0.00 0.03 -0.00 0.02 0.00 0.02 -0.01 0.01 0.02 0.04 0.28 -0.19 -0.09 0.26 0.02 -0.06 0.01 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 -0.15 0.36 0.07 -0.23 0.06 0.34 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 0.01 0.04 -0.07 0.06 -0.05 0.00 0.01 0.05 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 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 0.01 0.00 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 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.13 -0.09 0.28 -0.04 -0.26 0.19 0.11 -0.11 0.30 -0.28 0.15 0.11 -0.28 0.13 -0.12 -0.15 0.31 -0.02 0.10 -0.16 -0.28 -0.14 -0.13 -0.26 -0.05 -0.29 -0.14 -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 -0.02 -0.01 -0.03 0.02 0.02 0.01 -0.02 0.01 0.00 0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.00 0.00 0.03 0.02 0.00 -0.01 0.01 0.00 -0.00 0.02 -0.01 0.05 -0.05 -0.08 -0.00 -0.01 0.01 0.01 -0.01 -0.01 0.00 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 -0.02 0.01 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.05 -0.05 -0.14 0.08 -0.15 -0.04 -0.05 -0.11 0.03 -0.15 -0.02 0.03 0.02 0.01 -0.03 -0.02 -0.03 0.03 -0.42 0.28 0.23 -0.24 0.09 0.42 -0.02 0.34 0.43 0.01 0.06 -0.04 -0.02 0.06 0.01 -0.02 -0.09 0.07 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 -0.01 0.00 0.02 -0.04 -0.00 0.07 0.03 0.00 -0.00 -0.00 -0.01 -0.00 -0.02 -0.03 0.01 -0.00 0.11 -0.04 -0.02 -0.04 0.05 0.02 0.02 -0.04 -0.00 -0.00 -0.00 0.02 0.01 -0.01 0.05 -0.06 -0.05 0.01 -0.10 0.04 0.02 -0.01 -0.03 0.02 0.05 -0.05 -0.05 0.03 0.07 -0.01 -0.10 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.07 -0.05 -0.03 0.04 0.03 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.23 -0.04 0.00 0.05 0.16 -0.02 -0.03 -0.13 0.06 -0.12 0.01 0.08 -0.16 -0.02 0.28 0.07 0.22 -0.20 -0.18 0.03 0.09 -0.04 0.01 0.07 0.02 0.06 0.19 -0.05 -0.28 0.20 0.06 -0.22 0.01 0.07 0.35 -0.28 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -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 0.04 0.02 -0.07 0.18 0.01 -0.29 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 -0.01 0.03 0.02 -0.00 -0.00 -0.03 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 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.20 -0.19 0.07 0.22 0.14 -0.10 0.18 -0.33 -0.19 0.27 0.06 0.02 -0.27 -0.06 0.04 0.01 0.03 0.41 -0.19 0.30 -0.23 0.20 0.20 0.04 -0.23 -0.15 -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 0.01 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 -0.03 -0.03 0.05 0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 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 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.03 0.02 0.06 0.01 0.06 -0.01 -0.03 0.45 -0.29 0.31 -0.11 -0.42 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.31 -0.31 0.13 -0.05 -0.06 -0.25 0.07 -0.00 0.37 -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 0.00 0.00 -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 0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -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 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.02 -0.00 -0.00 0.02 0.02 -0.01 -0.04 -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 0.00 -0.00 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 -0.01 -0.03 -0.16 -0.26 0.01 0.01 -0.03 0.09 0.17 -0.00 -0.24 -0.16 -0.17 -0.24 0.22 -0.07 0.17 0.12 -0.10 0.15 0.23 0.21 0.25 -0.40 0.45 -0.20 -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 -0.04 -0.02 -0.01 0.02 0.03 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 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 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 -0.01 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 0.24 0.31 0.32 0.40 -0.19 0.10 -0.12 0.14 -0.21 -0.19 -0.33 -0.22 -0.04 -0.27 0.25 -0.10 0.20 -0.12 -0.06 0.10 -0.13 0.05 0.05 0.08 -0.16 -0.04 -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 0.01 -0.01 -0.01 -0.05 0.04 0.06 -0.01 -0.10 0.07 0.02 0.11 -0.09 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.03 0.05 -0.07 0.03 0.00 -0.05 -0.00 -0.01 0.00 -0.05 -0.02 0.09 0.05 -0.12 -0.03 0.03 -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 -0.04 0.12 0.01 -0.04 -0.05 0.09 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.02 -0.01 -0.00 0.01 0.01 -0.01 -0.01 0.08 -0.05 0.05 -0.02 -0.08 -0.18 0.11 0.23 -0.01 -0.23 0.10 0.09 0.10 -0.04 -0.04 0.02 0.10 -0.04 0.06 -0.11 0.00 0.29 -0.14 -0.21 0.44 0.13 0.04 -0.01 -0.05 -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 0.20 -0.37 -0.13 0.18 -0.10 -0.24 -0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.00 0.02 0.02 0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.02 0.04 0.01 -0.01 -0.00 -0.00 -0.01 0.01 -0.00 -0.04 -0.00 0.01 0.01 -0.02 -0.01 0.02 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 0.01 -0.01 -0.01 0.00 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.02 -0.07 -0.19 -0.02 -0.17 0.02 -0.03 0.36 -0.24 0.21 -0.11 -0.35 -0.02 -0.01 0.03 0.01 0.07 -0.05 0.27 0.40 -0.11 -0.03 0.08 0.38 -0.09 0.11 -0.34 -0.01 -0.07 0.04 0.03 -0.07 -0.01 0.00 0.04 -0.02 -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 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.01 -0.00 -0.01 -0.02 0.05 0.01 -0.00 0.01 -0.00 -0.01 -0.00 -0.01 -0.01 0.01 -0.01 0.02 0.04 0.03 -0.00 0.01 0.00 -0.00 -0.01 0.01 0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.01 -0.00 -0.03 0.02 -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 0.01 -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 -0.19 -0.12 -0.41 -0.08 -0.46 0.06 -0.01 -0.02 -0.00 0.02 0.02 0.05 -0.04 0.01 0.04 0.02 0.02 -0.01 -0.17 0.10 0.09 0.49 0.01 -0.03 0.16 -0.45 0.17 -0.00 -0.00 0.00 -0.01 0.01 0.01 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.01 0.01 0.01 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.01 0.01 -0.00 -0.02 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 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 0.02 -0.02 -0.02 -0.02 -0.00 0.00 0.02 -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 0.00 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 -0.00 0.00 0.19 0.18 -0.16 -0.33 -0.15 0.13 -0.18 0.35 0.26 0.05 0.12 0.08 0.06 0.11 -0.10 0.04 -0.10 -0.00 -0.19 0.32 -0.30 0.20 0.20 0.12 -0.33 -0.17 -0.09 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.04 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.00 -0.00 -0.00 -0.04 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 0.00 0.00 -0.00 -0.00 -0.00 0.00 -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 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.19 0.21 0.02 -0.03 -0.14 0.10 -0.15 0.25 0.05 0.39 0.07 0.03 -0.39 -0.05 0.05 0.01 0.04 0.55 0.14 -0.23 0.07 -0.19 -0.20 0.06 0.02 0.15 0.07 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.03 -0.01 -0.02 -0.01 -0.03 -0.02 -0.00 -0.02 0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.02 -0.01 0.00 0.01 0.00 0.01 -0.00 -0.02 -0.00 -0.02 -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 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.12 0.39 0.15 0.44 -0.08 -0.02 0.05 -0.05 0.02 -0.02 -0.04 0.04 -0.00 -0.04 -0.02 -0.04 0.03 -0.11 0.37 0.08 0.43 0.07 0.25 0.12 -0.36 0.06 0.00 0.02 -0.01 0.00 0.01 -0.01 -0.00 -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 0.00 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 0.01 -0.01 -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 -0.05 -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 -0.02 -0.01 -0.01 -0.01 -0.02 0.00 -0.02 -0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -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 -0.00 -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 0.15 0.20 0.27 0.33 -0.14 0.07 -0.07 0.08 -0.22 0.09 0.30 0.20 0.08 0.27 -0.24 0.11 -0.22 0.01 -0.07 0.11 0.20 0.14 0.16 -0.30 0.33 -0.15 -0.06 0.01 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 -0.02 -0.00 -0.03 0.11 0.00 -0.02 -0.10 0.08 -0.00 -0.10 0.05 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.07 -0.06 -0.08 0.06 0.02 -0.10 -0.00 -0.00 -0.00 0.04 -0.02 -0.06 -0.07 0.13 0.06 -0.03 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 -0.11 0.15 0.11 0.12 -0.09 -0.14 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.06 -0.03 -0.04 -0.01 0.04 0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.10 -0.03 0.18 -0.02 -0.38 0.16 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.01 0.00 0.01 -0.18 0.06 0.11 -0.27 -0.04 -0.09 -0.21 0.26 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.14 -0.39 -0.02 -0.19 -0.05 0.33 0.00 0.00 -0.00 0.00 0.00 -0.00 0.02 -0.02 -0.02 -0.12 0.06 0.16 0.14 -0.17 -0.15 -0.14 0.15 0.16 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.15 -0.07 -0.21 -0.05 0.14 0.02 -0.00 0.00 0.00 0.06 -0.18 -0.01 -0.12 0.25 0.08 0.09 0.02 -0.15 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.10 -0.18 -0.07 -0.13 0.03 0.20 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.05 0.01 0.04 0.03 -0.01 -0.02 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.16 -0.00 0.26 -0.10 -0.08 0.19 -0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.11 0.05 -0.20 0.12 -0.27 -0.07 0.05 -0.22 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 -0.08 0.19 0.03 0.14 -0.02 -0.22 0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 0.00 -0.03 -0.09 -0.09 0.19 0.00 -0.01 -0.00 -0.01 -0.01 0.03 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.11 0.07 -0.20 -0.00 0.17 -0.08 -0.00 0.00 0.00 0.01 0.22 -0.11 0.02 -0.20 0.07 -0.05 -0.11 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 0.03 -0.17 0.04 0.07 0.08 -0.15 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.08 0.04 0.07 0.05 -0.04 -0.03 0.00 -0.01 0.00 0.00 0.01 0.01 -0.23 0.16 0.30 -0.08 -0.15 0.17 -0.01 -0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 0.01 -0.08 -0.19 0.23 -0.17 0.17 0.19 -0.01 0.21 -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 -0.15 0.18 0.15 -0.16 0.14 0.19 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.02 0.06 0.11 -0.14 -0.03 -0.17 0.13 0.04 0.20 -0.15 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.07 -0.05 0.13 0.01 0.22 -0.13 0.00 -0.00 -0.00 -0.02 -0.19 0.12 -0.01 0.12 -0.05 -0.05 -0.19 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 0.02 -0.18 0.05 0.06 0.09 -0.14 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.09 -0.04 -0.08 -0.03 0.04 0.03 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.12 -0.09 -0.16 -0.09 -0.27 0.23 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.06 0.23 -0.21 0.09 -0.07 -0.11 0.02 0.30 -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 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.13 0.14 0.15 -0.13 0.14 0.14 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 -0.02 -0.01 0.00 -0.08 -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 0.46 -0.09 0.08 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.06 0.03 -0.00 -0.45 0.07 -0.08 0.03 -0.00 0.01 -0.01 0.00 -0.00 0.01 -0.01 -0.00 -0.11 -0.07 -0.01 0.20 0.06 0.06 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 -0.00 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 0.01 0.01 0.01 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.01 0.00 0.00 0.00 -0.01 0.00 -0.01 0.00 -0.00 0.01 0.01 0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.46 -0.23 0.03 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.43 0.20 -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 0.07 0.04 -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 -0.01 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 -0.60 -0.33 0.03 -0.09 -0.05 0.01 0.62 0.34 -0.04 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 -0.01 -0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.02 -0.01 -0.00 0.01 -0.01 -0.00 -0.01 -0.00 0.02 -0.00 0.01 -0.01 -0.02 -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 -0.03 -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 -0.07 0.03 0.00 -0.00 -0.00 0.00 -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 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.16 0.06 -0.01 0.01 -0.02 0.07 -0.07 -0.07 -0.16 0.87 -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 0.01 -0.03 0.00 -0.26 0.08 0.04 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 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -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 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.04 -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 -0.00 -0.00 0.00 -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 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.51 0.20 -0.03 0.01 -0.08 0.01 -0.01 -0.01 -0.02 0.12 -0.05 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.05 -0.03 0.11 -0.01 0.77 -0.21 -0.09 -0.05 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 -0.06 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 -0.02 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -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 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.05 0.74 -0.29 0.04 -0.02 0.08 0.01 -0.02 -0.02 -0.06 0.27 -0.11 0.00 -0.02 0.00 0.00 0.00 -0.00 0.02 -0.02 0.05 -0.01 0.48 -0.12 -0.05 -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 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -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 -0.01 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 0.01 0.02 -0.02 0.01 -0.00 0.00 -0.01 -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 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.23 -0.20 0.01 0.02 0.19 0.23 -0.36 -0.20 0.02 0.00 0.05 -0.08 0.01 0.05 0.06 -0.10 -0.06 0.01 0.48 0.27 -0.03 -0.30 0.26 -0.01 -0.02 -0.21 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 0.01 0.02 -0.02 -0.03 0.02 -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 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.22 -0.18 0.01 0.02 0.19 0.22 -0.34 -0.19 0.02 -0.02 -0.21 0.34 -0.03 -0.26 -0.31 0.46 0.27 -0.03 -0.15 -0.09 0.01 0.09 -0.08 0.01 0.01 0.07 -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 -0.01 0.00 -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 -0.01 -0.01 0.02 -0.02 0.01 -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 0.00 -0.00 -0.04 0.01 0.18 -0.00 0.40 -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 0.00 -0.02 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 -0.20 0.17 -0.01 -0.02 -0.17 -0.21 0.31 0.17 -0.02 -0.01 -0.14 0.24 -0.02 -0.18 -0.22 0.31 0.18 -0.02 0.30 0.17 -0.02 -0.20 0.17 -0.01 -0.01 -0.13 0.22 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.03 0.01 -0.07 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 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 0.00 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 -0.01 -0.09 0.02 0.36 -0.00 0.80 -0.00 0.01 0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.03 0.01 -0.04 0.00 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 0.10 -0.09 0.00 0.01 0.09 0.11 -0.16 -0.09 0.01 0.01 0.07 -0.12 0.01 0.09 0.11 -0.16 -0.09 0.01 -0.15 -0.09 0.01 0.10 -0.09 0.00 0.01 0.07 -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 0.05 -0.05 -0.05 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -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 -0.00 -0.01 -0.58 0.46 0.66 -0.01 0.09 -0.04 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.00 0.03 -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 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -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 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.03 -0.07 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 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 0.06 0.02 -0.02 -0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.42 -0.07 0.74 -0.00 -0.15 0.03 -0.46 -0.14 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 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.03 0.02 0.02 -0.04 -0.06 0.00 0.03 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 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.12 0.12 -0.00 -0.01 -0.16 -0.20 -0.27 -0.15 0.02 0.00 0.19 -0.34 0.02 0.25 0.32 0.51 0.28 -0.03 -0.23 -0.13 0.01 -0.11 0.10 -0.01 -0.00 -0.11 0.19 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.06 0.02 0.02 0.00 0.00 -0.01 -0.06 -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 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.26 0.24 -0.01 -0.01 -0.20 -0.25 -0.42 -0.24 0.03 -0.00 -0.04 0.06 0.00 0.02 0.02 -0.02 -0.01 -0.00 0.44 0.25 -0.03 0.27 -0.25 0.02 -0.00 0.17 -0.30 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.05 -0.02 -0.02 -0.03 -0.04 0.00 -0.05 -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 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -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 0.20 -0.19 0.01 0.01 0.18 0.23 0.36 0.21 -0.03 0.00 0.14 -0.24 0.01 0.17 0.22 0.37 0.20 -0.02 0.36 0.21 -0.02 0.20 -0.19 0.01 0.00 0.14 -0.25 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 -0.02 0.04 0.02 -0.00 -0.00 -0.06 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 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.31 -0.26 0.02 -0.03 -0.24 -0.30 0.01 0.01 0.00 -0.02 -0.25 0.40 0.03 0.30 0.35 -0.00 -0.00 -0.01 -0.00 -0.01 0.01 -0.27 0.23 -0.00 0.02 0.17 -0.29 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.05 -0.03 -0.00 -0.01 -0.07 -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 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.32 0.28 -0.02 0.04 0.28 0.36 0.03 0.00 -0.01 -0.02 -0.27 0.42 0.03 0.34 0.39 0.01 0.00 -0.01 -0.04 -0.02 -0.00 0.12 -0.10 0.00 -0.01 -0.11 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 -0.03 0.04 0.02 0.00 0.00 -0.02 -0.04 0.05 -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 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.31 -0.26 0.02 -0.03 -0.21 -0.27 0.03 0.02 0.00 -0.00 -0.08 0.12 0.01 0.05 0.06 -0.03 -0.02 -0.00 0.01 0.02 -0.01 0.45 -0.39 0.01 -0.03 -0.28 0.49 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 -0.09 -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 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -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 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.23 -0.05 0.42 -0.02 0.03 -0.02 0.82 0.28 -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 0.03 -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 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 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 0.00 0.00 -0.00 0.01 -0.08 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 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.02 0.00 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 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.08 0.03 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.06 0.94 -0.32 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.05 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.02 0.02 0.01 0.02 -0.03 0.01 -0.01 -0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.03 -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 0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 0.00 -0.01 0.00 -0.08 0.58 -0.14 -0.01 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.24 -0.25 -0.27 -0.18 -0.18 0.37 -0.16 0.16 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 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 -0.31 0.11 0.03 0.03 -0.06 0.03 -0.16 0.04 0.00 -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 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 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 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.08 0.03 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.01 0.02 -0.00 0.02 -0.01 -0.03 0.20 -0.05 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.09 -0.09 -0.10 -0.06 -0.06 0.13 -0.07 0.07 0.07 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.07 0.88 -0.31 0.01 0.01 -0.03 0.01 -0.07 0.01 -0.01 0.08 -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 -0.03 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 -0.03 0.03 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 0.01 0.01 -0.02 0.01 -0.04 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 -0.00 -0.05 0.36 -0.09 0.03 -0.03 -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.07 -0.08 0.15 0.38 -0.39 -0.42 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -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 -0.11 -0.12 0.24 -0.08 0.49 -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 0.01 -0.05 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.04 -0.04 -0.04 -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 -0.01 -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 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.08 0.56 -0.13 -0.02 0.02 0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.41 0.43 0.46 0.07 0.07 -0.14 -0.03 0.03 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 0.01 -0.00 0.07 0.07 -0.14 0.03 -0.16 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 -0.01 0.00 -0.01 0.00 0.01 -0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.00 -0.00 0.01 0.03 -0.03 -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 0.03 0.03 -0.05 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 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.06 -0.01 0.08 -0.08 -0.09 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.07 0.07 0.08 0.03 0.03 -0.07 -0.29 0.30 0.33 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.31 -0.32 0.64 -0.03 0.24 -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 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 -0.02 -0.02 0.02 0.03 -0.05 -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 0.01 0.01 -0.02 -0.01 0.04 -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 0.04 -0.26 0.06 0.05 -0.04 -0.05 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.19 0.20 0.21 -0.28 -0.29 0.58 0.09 -0.09 -0.10 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.11 -0.11 0.23 0.07 -0.42 0.09 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 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 -0.00 -0.01 -0.00 0.00 0.00 0.01 -0.02 -0.01 0.02 0.02 -0.03 0.02 -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 -0.01 0.03 0.01 -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 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.02 -0.16 0.04 -0.07 0.07 0.08 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.14 0.15 0.16 -0.18 -0.18 0.37 -0.18 0.18 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 0.16 0.15 -0.32 -0.10 0.63 -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 0.05 -0.05 -0.05 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 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 -0.00 0.00 -0.00 -0.00 -0.00 0.00 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 -0.56 0.53 0.59 -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 -0.01 -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 -0.08 -0.09 0.17 0.01 -0.05 0.01 0.00 -0.00 0.00 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 38 39 40 41 42 43 44 45 46 47 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 291.19870 0.99997 0.00812 -1.2E-4 -0.00812 0.99981 0.01794 2.7E-4 -0.01794 0.99984 asymmetric 1 0.02218 0.00483 0.00451 0.46209 0.10063 0.09404 1058978.3 20.65 34.51 60.74 73.64 104.39 121.19 143.11 189.70 206.96 251.72 254.09 324.17 335.70 352.52 385.21 413.95 421.24 422.27 451.13 482.56 517.99 520.45 558.19 585.93 596.80 615.90 634.46 678.09 691.55 739.84 761.33 781.12 811.69 819.25 854.18 890.84 951.14 996.54 1049.64 1069.25 1132.75 1157.40 1165.03 1183.13 1220.86 1251.58 1284.06 1285.42 1331.47 1341.20 1343.24 1394.84 1397.00 1403.65 1420.61 1424.25 1429.11 1435.55 1487.61 1502.24 1516.65 1518.53 1543.35 1581.07 1600.10 1615.34 1653.97 1663.71 1688.15 1720.80 1725.64 1756.27 1758.74 1762.76 1779.35 1805.59 1824.07 1858.01 1864.14 1872.50 1896.31 1934.05 1982.99 2005.12 2012.55 2014.30 2014.87 2025.72 2051.77 2061.41 2100.69 2121.01 2127.09 2137.84 2142.45 2142.51 2147.30 2152.38 2160.55 2162.58 2162.92 2173.37 2192.16 2223.70 2326.47 2355.17 2391.53 2431.27 3332.42 4167.58 4177.68 4192.58 4344.33 4344.57 4353.99 4354.22 4379.24 4396.17 4442.49 4442.57 4452.26 4458.01 4464.04 4465.20 4468.96 4477.04 4536.73 4537.08 4539.38 4548.44 4555.86 4577.49 4578.92 4620.93 0.403344 0.424485 0.425429 0.351840 -869.839852 -869.818711 -869.817767 -869.891356 266.368 83.006 154.881 0.000 0.000 0.000 0.889 2.981 42.904 0.889 2.981 35.551 264.591 77.044 76.426 1 0.593 1.986 7.293 2 0.593 1.985 6.273 3 0.595 1.980 5.152 4 0.595 1.977 4.771 5 0.599 1.967 4.083 6 0.601 1.960 3.790 7 0.604 1.949 3.465 8 0.612 1.921 2.919 9 0.616 1.909 2.752 10 0.627 1.873 2.382 11 0.628 1.871 2.364 12 0.650 1.802 1.916 13 0.654 1.790 1.853 14 0.660 1.771 1.766 15 0.673 1.732 1.611 16 0.685 1.697 1.487 17 0.688 1.687 1.458 18 0.688 1.686 1.454 19 0.701 1.648 1.344 20 0.717 1.605 1.234 21 0.735 1.555 1.122 22 0.736 1.551 1.115 23 0.756 1.496 1.008 24 0.772 1.454 0.936 25 0.778 1.438 0.910 26 0.790 1.409 0.865 27 0.801 1.381 0.824 28 0.828 1.314 0.734 29 0.837 1.293 0.708 30 0.869 1.218 0.624 31 0.884 1.186 0.589 32 0.898 1.155 0.559 33 0.920 1.109 0.516 34 0.925 1.097 0.505 35 0.951 1.045 0.461 36 0.979 0.991 0.418 0.489948e+24 23.690150 54.548586 0.191129e+09 8.281326 19.068458 0.100000e+01 0.000000 0.000000 0.195316e+09 8.290738 19.090130 0.131246e+08 7.118086 16.389998 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.2904 -0.2303 -0.0372 0.3725 -128.9578 -126.6407 -131.7337 1.7481 -4.8828 -1.1149 0.1529 2.4701 -2.6230 1.7481 -4.8828 -1.1149 99.3768 6.7632 -7.2691 -18.9397 34.6372 34.6549 -15.7381 -3.6936 -2.6045 -1.3231 -13002.5806 -2178.5460 -1226.6079 90.5557 -189.3105 -61.1033 -34.9909 -37.5512 -1.1090 -2492.5217 -2370.9397 -560.8107 29.1734 -5.7650 2.6208 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 1-A -870.2431959 2.22E-9 7.052E-7 0.4033435 0.4244846 -869.8187114 -869.8177672 -869.8913563 -0.2266866,0.0215402,0.2051464,1.6017291,-3.9346148,1.0274284 C01 [X(C21H25N1)] 0.034767 -0.1399971 -0.0258128 -0.8244722 0.1446155 0.0748842 0.0092796 -0.8196978 -0.1091286 -0.0888898 -0.0077378 -0.4982169 0.5554225 -0.1554909 -0.1793049 -0.1367046 0.6031064 0.0689687 -0.2553357 0.0589152 0.2383751 -0.1143673 0.0363553 0.0168309 -0.0014729 0.074181 0.030633 0.0126895 0.0879812 0.0084051 0.0234257 0.0139744 -0.0388982 -0.0070011 -0.0782197 -0.097975 -0.0016059 -0.2059267 -0.0141128 0.0214493 0.019643 -0.0240665 0.0165592 -0.0287183 -0.1302063 -0.0089584 -0.0963493 -0.015622 0.357652 -0.0770832 -0.0455724 -0.0727097 0.2166881 0.0165072 -0.0901839 0.0385679 0.1956898 0.598851 -0.1290327 0.0894538 0.1233809 0.2848936 -0.2040297 0.2761343 -0.3077854 0.2318815 -0.1310624 0.0824763 0.0169835 0.0956254 0.0015269 0.0146226 -0.0149949 -0.0146223 -0.0916471 -0.1140622 0.0138547 -0.0362655 0.0043075 -0.0219781 0.0514334 -0.040113 0.0785197 -0.0185421 0.150072 0.2315874 0.0453969 0.2364763 0.4921472 0.0905736 0.0040864 0.1273527 0.3420592 -0.1077618 0.0357413 -0.0331298 0.0559308 0.0212069 0.0694807 -0.0277148 0.0234738 0.0364314 -0.126231 -0.0016976 -0.053351 -0.0001452 -0.0759788 0.036244 -0.0730846 0.098125 0.1038748 -0.1203914 0.0294487 -0.0235904 0.0445005 0.0446772 0.0633876 -0.0211619 0.0990835 0.0152068 -0.0544626 0.048412 0.0269414 0.0661328 0.0216827 0.0070542 -0.0481678 0.0337558 0.0327039 -0.0162083 0.0332947 0.0212338 -0.0731104 0.0366973 0.0216238 0.0397703 -0.0146587 0.0556584 -0.0381538 0.0279988 0.0001825 0.06266 0.0150151 -0.0377708 0.1081849 -0.0664369 0.0080025 -0.0287178 -0.0634471 -0.043185 -0.0652664 0.0561945 -0.0290787 -0.0985275 -0.0289421 -0.1215442 -0.1231856 0.0061051 -0.0684404 0.0209319 -0.0551327 0.0383722 -0.0409633 0.078093 0.101205 -0.1153359 0.0705277 -0.0097348 0.065909 0.0864808 0.0263727 -0.0194441 -0.0232844 -0.0839643 0.0788202 -0.0118029 -0.1060891 0.0046017 -0.2111708 -0.0000532 -0.0748684 -0.0094331 -0.1679642 0.3431801 -0.0715577 -0.1569045 0.1030857 0.0828122 -0.1074487 -0.2498831 -0.0274019 0.0029972 -0.2989482 0.0671993 0.0612561 -0.0621535 -0.1361172 0.0459167 0.1120164 0.0017044 -0.1098611 -0.0987248 0.0288486 0.0588553 -0.1396947 -0.1532436 0.0622871 0.1505875 0.0539522 -0.0413715 -0.0559544 0.0731241 -0.0301505 0.0581397 -0.0096017 0.0112843 -0.0935875 -0.0400769 -0.094123 -0.0661441 -0.0081803 0.0119342 -0.0308774 0.0143634 -0.0584957 -0.0166791 -0.063823 -0.0270247 -0.091418 -0.0470714 0.0479955 -0.010352 -0.1702786 0.1469108 -0.0290912 0.0856547 -0.0295227 0.1059407 -0.0773879 0.0193524 -0.0803675 -0.0737314 0.0536345 0.0118633 0.03785 0.0655143 0.1102558 -0.0251538 0.0150948 -0.0448663 0.0851901 -0.0728619 0.0311649 -0.085104 0.0181164 -0.0416309 0.0131147 -0.119034 0.0589666 0.0197873 0.0789868 -0.1023669 0.038468 -0.0503366 -0.0299668 -0.1421936 -0.0130767 -0.1151457 -0.205749 -0.0467275 0.0908343 0.1342873 -0.0389858 -0.0413017 0.0580458 0.0928229 0.0281056 -0.02104 -0.0497051 0.1031546 -0.0648834 0.0305085 0.1200118 -0.0371087 0.001598 -0.0120371 -0.0458171 -0.1081062 0.0210298 -0.0610412 0.0061908 0.1086242 -0.0244963 0.067717 -0.0216127 0.0649876 0.012589 0.0818616 -0.0046579 -0.0989088 0.1190757 -0.0177941 0.0198673 -0.0245845 -0.0382531 -0.062709 0.0119027 -0.1136314 -0.0079434 0.0745443 0.0451576 -0.0075834 0.0368166 -0.1348339 0.0305455 -0.0067491 -0.0170641 0.0425991 0.0091698 -0.0663694 -0.1044342 -0.0622111 0.0142654 -0.0715943 -0.0752067 -0.0222277 -0.0391413 -0.1766689 0.0303781 0.1102654 0.0136126 0.0739659 0.0042544 0.1070596 -0.0090651 0.001936 0.0822727 -0.010007 0.0174081 -0.0027139 0.0071028 0.0502876 -0.0072149 0.1074902 -0.1054128 0.0078799 -0.0839223 -0.0947432 -0.0432278 -0.0058561 -0.0429547 -0.0770313 -0.0808402 -0.0169092 -0.1810451 0.0762623 0.0829745 0.0476029 0.0193978 -0.0108698 0.0853882 -0.0226257 0.0458101 -0.2263453 0.0301847 0.0533946 -0.0007067 0.0735144 -0.0164004 0.0559813 -0.0092563 0.0378874 0.0701634 0.0485115 -0.0147374 0.0134936 -0.1375087 -0.0327215 -0.0119726 0.0011411 0.0528891 0.0797694 -0.0348829 0.0129614 -0.0000087 0.0253703 0.0847415 -0.0220754 0.0471706 -0.1180965 0.0396756 -0.0303949 0.0367809 -0.0246697 -0.0097981 0.0592138 0.0971716 0.041805 0.0697203 0.1075339 -0.0305802 0.0721977 -0.0226989 0.0687982 0.005178 0.0660982 0.024154 -0.0902996 0.1057321 -0.0822465 0.0390496 -0.0680509 -0.0813321 0.0496663 0.0366599 0.0481896 0.0567773 -0.0469612 -0.0369603 0.0888596 -0.0437294 0.0100036 0.0580673 0.0922322 0.0511407 0.0791106 281.9739204|-21.1213776|287.5740916|-47.2969858|5.1451639|252.7851911 -0.000002760 0.000000193 0.000000510 0.000001054 0.000000112 -0.000000594 0.000000208 -0.000000320 0.000001008 0.000000984 -0.000000259 0.000000023 0.000000046 0.000001195 0.000000690 -0.000001651 -0.000003134 0.000000568 0.000002246 0.000000575 0.000001032 -0.000001715 0.000000023 -0.000000912 -0.000000062 0.000000290 -0.000001241 0.000000945 -0.000001326 -0.000001275 0.000000230 0.000000569 -0.000000078 0.000000413 0.000000134 0.000000406 0.000000099 0.000000049 0.000000588 -0.000000497 0.000000252 -0.000001732 0.000001290 0.000000313 0.000001170 0.000000415 0.000000647 0.000000134 0.000000264 0.000000428 0.000001157 0.000000693 0.000000780 -0.000000099 0.000000447 -0.000000168 -0.000001169 0.000001090 0.000001432 -0.000000764 -0.000000215 -0.000000790 0.000000216 -0.000000735 -0.000000565 0.000000550 0.000000260 0.000000015 -0.000000375 -0.000000738 0.000000565 0.000000395 -0.000000268 -0.000000041 -0.000000113 -0.000000634 0.000000315 -0.000000093 0.000000198 0.000000331 0.000000232 -0.000000040 0.000000282 0.000000111 -0.000000120 0.000000073 0.000000147 -0.000000402 -0.000000043 0.000000102 -0.000000120 -0.000000083 -0.000000320 0.000000077 0.000000491 -0.000000206 -0.000000119 0.000000304 0.000000065 0.000000420 0.000000425 -0.000000233 0.000000159 -0.000000455 0.000000465 -0.000000487 -0.000000408 0.000000207 -0.000000050 -0.000000607 0.000000186 -0.000000591 -0.000000459 0.000000184 0.000000019 -0.000000297 0.000000114 -0.000000127 -0.000000544 0.000000637 0.000000006 -0.000000317 -0.000000023 -0.000000165 -0.000000069 0.000000096 -0.000000150 -0.000000280 0.000000125 0.000000186 0.000000204 0.000000097 0.000000249 0.000000273 -0.000000302 0.000000438 0.000000241 -0.000000323 -0.000000789 -0.000000346 -0.000001360 266.23139999999984 AuxInfo=1/0/N:2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;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/rA:47nN0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.8152,-.8021,-.521;-3.0882,-.3161,.0234;-2.9527,.8862,.9329;-2.4284,2.1281,.4486;-2.351,3.245,1.3433;5.1131,-2.8896,-1.2403;-.875,-1.2165,.5242;-3.3627,.7951,2.2458;-1.9853,2.3069,-.8904;-2.0368,-1.8514,-1.5087;-2.7857,3.0957,2.6866;-3.2817,1.8958,3.129;-1.8432,4.4821,.8665;5.2336,-2.2752,-2.654;5.4736,-4.3916,-1.295;6.0772,-2.1602,-.2757;.5208,-1.3518,-.0048;-1.5031,3.5211,-1.3205;-1.4295,4.6211,-.436;3.7343,-2.7346,-.7586;1.2671,-2.4599,.1076;2.6005,-2.5904,-.3655;-3.6194,-1.1165,.5705;-3.7229,-.052,-.83;-.8809,-.4404,1.2963;-1.1948,-2.1573,1.0123;-3.7573,-.147,2.6125;-2.0008,1.4619,-1.5646;-2.6587,-1.4682,-2.322;-2.539,-2.739,-1.0794;-1.0832,-2.1737,-1.9298;-2.7199,3.947,3.3562;-3.6126,1.7837,4.1553;-1.7887,5.321,1.5527;4.982,-1.2122,-2.6383;4.5605,-2.7756,-3.354;6.2586,-2.3833,-3.0217;5.3944,-4.8468,-.3049;4.8046,-4.9276,-1.9724;6.5004,-4.5165,-1.652;7.1081,-2.2678,-.627;5.8398,-1.0952,-.2206;6.0095,-2.578,.7315;.9248,-.4741,-.502;-1.1693,3.6353,-2.3459;-1.0439,5.5714,-.7879;.8407,-3.3356,.5951; Gaussian 16 9-Dec-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 135 C1[X(C21H25N)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=readoutput=wfx 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 0 0 0 0 0 0 0 0 0 0 266.23139999999984 AuxInfo=1/0/N:2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;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/rA:47nN0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.8152,-.8021,-.521;-3.0882,-.3161,.0234;-2.9527,.8862,.9329;-2.4284,2.1281,.4486;-2.351,3.245,1.3433;5.1131,-2.8896,-1.2403;-.875,-1.2165,.5242;-3.3627,.7951,2.2458;-1.9853,2.3069,-.8904;-2.0368,-1.8514,-1.5087;-2.7857,3.0957,2.6866;-3.2817,1.8958,3.129;-1.8432,4.4821,.8665;5.2336,-2.2752,-2.654;5.4736,-4.3916,-1.295;6.0772,-2.1602,-.2757;.5208,-1.3518,-.0048;-1.5031,3.5211,-1.3205;-1.4295,4.6211,-.436;3.7343,-2.7346,-.7586;1.2671,-2.4599,.1076;2.6005,-2.5904,-.3655;-3.6194,-1.1165,.5705;-3.7229,-.052,-.83;-.8809,-.4404,1.2963;-1.1948,-2.1573,1.0123;-3.7573,-.147,2.6125;-2.0008,1.4619,-1.5646;-2.6587,-1.4682,-2.322;-2.539,-2.739,-1.0794;-1.0832,-2.1737,-1.9298;-2.7199,3.947,3.3562;-3.6126,1.7837,4.1553;-1.7887,5.321,1.5527;4.982,-1.2122,-2.6383;4.5605,-2.7756,-3.354;6.2586,-2.3833,-3.0217;5.3944,-4.8468,-.3049;4.8046,-4.9276,-1.9724;6.5004,-4.5165,-1.652;7.1081,-2.2678,-.627;5.8398,-1.0952,-.2206;6.0095,-2.578,.7315;.9248,-.4741,-.502;-1.1693,3.6353,-2.3459;-1.0439,5.5714,-.7879;.8407,-3.3356,.5951; oldchk=/home/apulgar/almacen/pesticidas/G2-G4/terbinafine/gaussian/gas/CONF32/o #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read ou 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction terbinafine CONF32 gas 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 38 39 40 41 42 43 44 45 46 47 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 656 A 634 A 634 992 656 79 79 1600.6266654404 47 47 47 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0429124232 0.000000 1.467328 0.000000 2.501611 1.513613 0.000000 3.146793 2.567108 1.432372 0.000000 4.487974 3.868686 2.468647 1.433186 0.000000 7.271665 8.688020 9.167144 9.214348 10.001069 0.000000 1.465679 2.441283 2.984173 3.688552 4.770192 6.463002 0.000000 3.549836 2.499862 1.378500 2.424855 2.799971 9.877788 3.633130 0.000000 3.135497 2.988500 2.505648 1.421624 2.450137 8.804197 3.955803 3.744105 0.000000 1.458015 2.410481 3.780915 4.452102 5.848646 7.229856 2.426067 4.781169 4.204352 0.000000 5.140378 4.338694 2.825806 2.464296 1.419739 10.659979 5.188631 2.412425 3.749349 6.529632 0.000000 4.769879 3.817664 2.439347 2.822541 2.423838 10.604872 4.718435 1.413524 4.243202 6.091021 1.371635 0.000000 5.463472 5.028279 3.763766 2.461427 1.419780 10.352385 5.790478 4.219653 2.799744 6.767091 2.474538 3.725199 0.000000 7.510385 8.958746 9.480267 9.365976 10.196936 1.546121 6.966850 10.360142 8.730353 7.372206 11.030752 11.106315 10.398909 0.000000 8.161481 9.573489 10.189213 10.391702 11.247306 1.545615 7.327673 10.840661 10.033357 7.931139 11.837546 11.651488 11.702590 2.526546 0.000000 8.012177 9.353861 9.606239 9.552977 10.142577 1.546551 7.061415 10.208073 9.237797 8.212921 10.721482 10.753214 10.399923 2.526054 2.526358 0.000000 2.454672 3.754749 4.237077 4.583980 5.585252 4.998089 1.498806 4.975600 4.522223 3.008709 6.160896 5.901400 6.354724 5.484653 5.952728 5.621458 0.000000 4.407605 4.363760 3.757877 2.434396 2.809154 9.212933 5.122777 4.858800 1.375456 5.402235 4.228859 5.059952 2.412973 8.986596 10.549187 9.530476 5.438025 0.000000 5.437609 5.228574 4.259486 2.827598 2.430814 9.993176 5.942024 5.056437 2.423028 6.588880 3.730525 4.854570 1.373663 9.842557 11.385033 10.117428 6.298011 1.413468 0.000000 5.881219 7.280654 7.790237 7.942476 8.786664 1.468710 5.019593 8.476706 7.625540 5.886279 9.400682 9.261689 9.264566 2.459943 2.461320 2.460126 3.578744 8.178079 8.993132 0.000000 3.555872 4.855085 5.448327 5.901111 6.867591 4.097977 2.511616 6.050036 5.856348 3.728065 7.344463 6.985168 7.644772 4.836710 4.836623 4.834653 1.340766 6.744368 7.596605 2.629269 0.000000 4.766635 6.138821 6.679097 6.943827 7.841494 2.677316 3.841650 7.337656 6.729675 4.832952 8.405811 8.181529 8.443051 3.502806 3.516069 3.504346 2.447343 7.423069 8.261445 1.208673 1.420864 0.000000 2.131985 1.105540 2.141665 3.458435 4.607446 9.092899 2.746649 2.554773 4.064960 2.714493 4.787003 3.966593 5.881087 9.492979 9.843230 9.789297 4.186622 5.437091 6.223248 7.646113 5.088954 6.460370 0.000000 2.072992 1.095887 2.140460 2.839633 4.180428 9.289514 3.361631 3.210692 2.930377 2.557630 4.811814 4.434298 5.193278 9.406801 10.179507 10.039578 4.514297 4.234970 5.220441 7.925370 5.619355 6.829664 1.762220 0.000000 2.075144 2.551050 2.486821 3.116187 3.968066 6.954179 1.094742 2.930522 3.680848 3.345924 4.250326 3.818465 5.034107 7.507179 7.918666 7.337814 2.118518 4.788337 5.377777 5.548524 3.178861 4.416315 2.912655 3.570582 0.000000 2.138314 2.820097 3.515594 4.494919 5.534539 6.738005 1.107047 3.865027 4.916711 2.675489 5.738298 5.026243 6.672635 7.401374 7.401553 7.385212 2.150991 6.146662 6.935387 5.269350 2.640286 4.060849 2.675310 3.770627 1.768327 0.000000 3.744311 2.679525 2.129813 3.409493 3.885080 10.052426 3.716557 1.085225 4.629418 4.780235 3.385898 2.160074 5.304806 10.634969 10.885540 10.445719 5.157952 5.831377 6.119364 8.613112 6.072012 7.433781 2.264681 3.444076 3.176902 3.628865 0.000000 2.499923 2.620240 2.734081 2.163250 3.429029 8.345561 3.578387 4.101125 1.081119 3.314023 4.621520 4.884587 3.880329 8.215175 9.497465 8.946201 4.087544 2.132456 3.403028 7.152076 5.371814 6.247464 3.718495 2.407760 3.613538 4.515424 4.808606 0.000000 2.097313 2.648197 4.027933 4.545627 5.978610 7.974404 3.368346 5.146231 4.093219 1.093135 6.777302 6.435714 6.799892 7.940366 8.702509 8.998961 3.935921 5.218386 6.492148 6.702111 4.722086 5.722414 3.068145 2.316046 4.160375 3.706110 5.225170 3.097144 0.000000 2.141760 2.718170 4.166867 5.102514 6.458572 7.655315 2.767400 4.922000 5.079674 1.106498 6.948923 6.304284 7.511033 7.944049 8.184056 8.672949 3.527225 6.349785 7.471016 6.281541 3.996680 5.191006 2.553871 2.946780 3.698227 2.553551 4.672643 4.262960 1.781311 0.000000 2.098048 3.359419 4.588351 5.096249 6.456235 6.275593 2.642305 5.607682 4.687211 1.091016 7.209453 6.854604 7.259299 6.359050 6.950801 7.349027 2.637013 5.742681 6.965708 4.989529 3.123639 4.023775 3.715052 3.560705 3.667798 2.944265 5.647226 3.767377 1.770155 1.778161 0.000000 6.197172 5.423719 3.910864 3.442033 2.163443 11.367573 6.171339 3.402983 4.611160 7.599739 1.085066 2.138810 2.693232 11.751397 12.581621 11.308238 7.062238 4.851156 4.062039 10.160319 8.215687 9.213801 5.848753 5.875625 5.184038 6.714299 4.288320 5.559425 7.846673 8.025572 8.251253 0.000000 5.637805 4.664402 3.409540 3.906516 3.410889 11.273451 5.448004 2.164671 5.327340 6.912255 2.135913 1.084156 4.607442 11.878421 12.263714 11.361373 6.650051 6.119909 5.822092 9.926717 7.629148 8.841561 4.611057 5.313761 4.536879 5.590687 2.475598 5.951414 7.310314 7.000719 7.686833 2.472914 0.000000 6.464850 5.983694 4.626740 3.438504 2.161038 11.083773 6.680761 4.841679 3.884918 7.802477 2.689229 4.055346 1.085190 11.167443 12.457310 11.008349 7.230918 3.402507 2.138671 10.036921 8.483490 9.248505 6.764480 6.187792 5.838151 7.521330 5.907434 4.965453 7.865415 8.512078 8.294401 2.451055 4.755300 0.000000 7.131201 8.544957 8.950764 8.694874 9.460083 2.187554 6.656318 9.875193 7.998949 7.137781 10.356148 10.545622 9.554742 1.092518 3.486373 2.771277 5.182414 8.136191 8.943447 2.721755 4.785162 3.568855 9.181019 8.966106 7.102819 7.236978 10.250971 7.554005 7.651520 7.831173 6.181764 11.039470 11.357661 10.299999 0.000000 7.250569 8.715445 9.393321 9.346178 10.299605 2.187809 6.856852 10.338602 8.645765 6.912514 11.177124 11.196058 10.559156 1.092539 2.772155 3.486461 5.437256 8.975028 9.955235 2.724077 4.788456 3.578734 9.223139 9.077584 7.529078 7.250593 10.568637 8.013038 7.408806 7.455067 5.851713 11.967627 11.999068 11.399304 1.770412 0.000000 8.598911 10.045380 10.544052 10.385598 11.173968 2.177612 8.051337 11.420191 9.721304 8.448998 12.016834 12.130944 11.308987 1.094349 2.762432 2.761016 6.564194 9.899557 10.717077 3.408401 5.891867 4.525510 10.587048 10.481838 8.566938 8.478123 11.707506 9.226419 8.991396 9.016515 7.425603 12.702903 12.896336 12.043334 1.774354 1.774284 0.000000 8.269547 9.622392 10.201673 10.507824 11.321938 2.187449 7.291934 10.725035 10.294625 8.102099 11.787589 11.512164 11.865331 3.486717 1.092590 2.772243 6.004827 10.891746 11.671570 2.724545 4.785634 3.591832 9.794471 10.314603 7.833255 7.237872 10.693692 9.801847 8.963005 8.245121 7.193458 12.513060 12.040962 12.587046 4.338857 3.779241 3.767864 0.000000 7.934054 9.356643 10.120163 10.390467 11.357355 2.187463 7.229377 10.828208 9.980632 7.515500 11.987220 11.746168 11.865832 2.772017 1.092585 3.486716 5.916892 10.563818 11.506702 2.725474 4.788563 3.592110 9.589400 9.889141 7.946360 7.250989 10.825154 9.343796 8.233497 7.714704 6.500239 12.797308 12.387149 12.685981 3.778864 2.569028 3.112696 1.770543 0.000000 9.177456 10.601512 11.190711 11.326397 12.147461 2.177390 8.367952 11.861232 10.915434 8.944620 12.767184 12.635874 12.527386 2.762633 1.094291 2.761483 6.963098 11.347677 12.159720 3.409467 5.891805 4.535896 10.904641 11.185825 8.932547 8.478269 11.937364 10.393235 9.676215 9.230290 7.942135 13.480593 13.254861 13.257337 3.767893 3.113029 2.546580 1.773977 1.774055 0.000000 9.043519 10.401764 10.658345 10.555859 11.124220 2.177715 8.133904 11.281557 10.182729 9.196688 11.731767 11.806388 11.310143 2.760847 2.761892 1.094404 6.679745 10.399334 10.972015 3.408430 5.890133 4.526648 10.855396 11.057166 8.417957 8.463914 11.534735 9.887451 9.944933 9.669180 8.294822 12.291399 12.418503 11.895166 3.111266 3.766289 2.543526 3.113137 3.767033 2.544899 0.000000 7.666561 8.965280 9.086509 8.899517 9.400698 2.188052 6.757107 9.713087 8.558982 8.016977 10.020724 10.166990 9.556059 2.771512 3.486331 1.092477 5.329610 8.742967 9.250205 2.722180 4.783303 3.570654 9.492320 9.638730 6.920794 7.220412 10.051426 8.355866 8.762388 8.581639 7.212047 10.558656 10.806726 10.124577 2.568067 3.778782 3.111429 3.778925 4.339141 3.767070 1.774470 0.000000 8.120844 9.401329 9.610475 9.665671 10.206822 2.188176 7.020856 10.075208 9.508374 8.383794 10.647443 10.587186 10.560724 3.486344 2.771756 1.092492 5.671989 9.891854 10.417708 2.724142 4.784666 3.581098 9.740519 10.175325 7.236372 7.222017 10.239078 9.260495 9.256959 8.739647 7.586308 11.210072 11.105488 11.130157 3.778407 4.339341 3.766449 2.569049 3.779316 3.111244 1.774411 1.770242 0.000000 2.759645 4.050310 4.352474 4.349586 5.288445 4.891006 2.200833 5.248290 4.043926 3.417789 6.056258 6.041110 5.839436 5.142078 6.055328 5.426010 1.086624 4.746174 5.613207 3.615179 2.105336 2.702845 4.713065 4.678294 2.548591 3.101477 5.632905 3.665527 4.140246 4.178636 2.993233 6.907609 6.883050 6.720740 4.644326 5.162313 6.200329 6.256003 6.086838 6.982219 6.439453 4.962134 5.639319 0.000000 4.841373 4.990952 4.635603 3.415611 3.893530 9.125025 5.644929 5.827718 2.132938 5.617647 5.313252 6.120707 3.389847 8.719336 10.472041 9.507140 5.762676 1.084413 2.165037 8.194016 7.007739 7.542753 6.090054 4.734477 5.473608 6.695767 6.752041 2.454687 5.316507 6.641700 5.824584 5.917417 7.187806 4.292423 7.837263 8.657196 9.584116 10.917679 10.447602 11.214224 10.311052 8.719143 9.980516 4.967151 0.000000 6.425596 6.284892 5.343753 3.911804 3.415135 10.473854 6.915670 6.115029 3.399114 7.523555 4.608216 5.818941 2.136029 10.220484 11.916176 10.523759 7.140860 2.167574 1.084273 9.582405 8.405060 8.948438 7.294299 6.229109 6.364916 7.937046 7.185098 4.290303 7.383593 8.448850 7.828946 4.756215 6.736521 2.469036 9.260252 10.376248 11.026974 12.256633 12.076358 12.626529 11.310817 9.599548 10.884444 6.364380 2.488267 0.000000 3.836457 4.988090 5.685776 6.368769 7.351985 4.671311 2.727517 6.120249 6.483153 3.861221 7.673800 7.126213 8.270134 5.565837 5.113775 5.436984 2.097146 7.495209 8.338289 3.250653 1.089178 2.138944 4.981801 5.799971 3.440634 2.388718 5.948093 5.979565 4.923649 3.818723 3.380357 8.563754 7.662575 9.097743 5.666973 5.454008 6.583476 4.881590 4.983896 6.202906 6.474068 5.538583 5.225747 3.065823 7.828446 9.208694 0.000000 C21H25N 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 0 0 0 0 0 0 0 0 0 0 266.23139999999984 AuxInfo=1/0/N:2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;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/rA:47nN0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.9161,-1.5761,-1.0004;-2.3181,-1.9761,-.8352;-3.1177,-1.0661,.0723;-3.3164,.3153,-.2498;-4.1086,1.1257,.6276;5.8763,.6977,.2529;-.1807,-1.5569,.2673;-3.687,-1.5786,1.2184;-2.7661,.9218,-1.4119;-.2544,-2.3968,-2.0076;-4.6703,.5473,1.7962;-4.4643,-.7775,2.0857;-4.3191,2.493,.3081;5.939,1.4913,-1.0726;7.0412,-.3168,.3056;5.986,1.6751,1.4464;1.1106,-.805,.1501;-2.9941,2.2486,-1.6937;-3.7771,3.0448,-.8271;4.5978,-.0212,.3292;2.3106,-1.3102,.4701;3.5374,-.5981,.3891;-2.3952,-3.0118,-.4561;-2.7715,-1.9782,-1.8329;-.8123,-1.051,1.0045;.0025,-2.5797,.6493;-3.5337,-2.6247,1.463;-2.1337,.3323,-2.0611;-.7761,-2.3011,-2.9634;-.2313,-3.4685,-1.7332;.7746,-2.061,-2.1442;-5.2659,1.1707,2.4549;-4.8937,-1.2172,2.9789;-4.9201,3.0974,.9797;5.1226,2.2149,-1.1311;5.8634,.8203,-1.9315;6.8876,2.033,-1.1386;7.0159,-.8901,1.2354;6.9844,-1.0181,-.5302;7.9985,.2105,.2504;6.9351,2.2178,1.3977;5.1705,2.4019,1.4297;5.944,1.1359,2.3956;1.0319,.2147,-.2169;-2.5638,2.6915,-2.5851;-3.9455,4.0902,-1.06;2.3728,-2.3393,.8215; 0.4620904 0.1006294 0.0940400 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 NBasis= 634 RedAO= T EigKep= 1.04D-06 NBF= 634 NBsUse= 629 1.00D-06 EigRej= 7.98D-07 NBFU= 629 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= 654 654 654 654 654 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -870.243195940128 -870.243195940 1 8.661249162499e+02 -5.218989252195e+03 1.882037386988e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245848878 LenY= 4245417886 Requested convergence on RMS density matrix=1.00D-08 within 128 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. PT856.900S Fri Dec 9 01:11:44 2022 -14.31183 -10.20850 -10.20331 -10.19871 -10.18893 -10.18810 -10.18751 -10.18734 -10.18683 -10.17905 -10.17881 -10.17847 -10.17806 -10.17776 -10.17707 -10.17594 -10.17303 -10.16409 -10.16400 -10.16382 -10.16263 -10.16031 -0.93289 -0.87924 -0.83501 -0.82862 -0.80799 -0.78711 -0.74601 -0.74460 -0.73592 -0.70126 -0.69379 -0.69184 -0.69155 -0.63264 -0.62237 -0.61821 -0.59647 -0.57933 -0.56738 -0.52075 -0.51521 -0.50580 -0.50046 -0.48207 -0.47783 -0.47391 -0.45986 -0.44965 -0.44539 -0.44514 -0.43651 -0.42487 -0.42163 -0.40801 -0.39889 -0.39803 -0.39744 -0.39727 -0.38855 -0.37803 -0.37611 -0.37160 -0.36824 -0.36783 -0.35939 -0.34735 -0.34531 -0.34274 -0.33343 -0.33145 -0.31991 -0.28732 -0.26175 -0.25185 -0.23225 -0.22771 -0.21970 -0.05190 -0.02768 -0.02216 -0.00114 0.00257 0.00876 0.01060 0.01214 0.01930 0.02480 0.02636 0.03088 0.03144 0.03623 0.03896 0.04432 0.04763 0.04952 0.05410 0.05631 0.05709 0.05980 0.06197 0.06683 0.06786 0.07061 0.07243 0.07562 0.08048 0.08201 0.08400 0.08699 0.08785 0.09586 0.09920 0.10077 0.10355 0.10600 0.10673 0.11268 0.11748 0.11892 0.12149 0.12747 0.13254 0.13325 0.13642 0.14040 0.14268 0.14797 0.15123 0.15307 0.15605 0.15793 0.16105 0.16311 0.16553 0.16686 0.16934 0.17348 0.17726 0.17887 0.18243 0.18490 0.18652 0.19015 0.19054 0.19439 0.19868 0.20203 0.20368 0.20710 0.21024 0.21115 0.21431 0.21503 0.21725 0.22016 0.22181 0.22385 0.22740 0.22991 0.23361 0.23457 0.23814 0.23971 0.24251 0.24291 0.24508 0.24826 0.24913 0.25112 0.25484 0.25603 0.25697 0.25815 0.26071 0.26189 0.26634 0.26978 0.27435 0.27963 0.28069 0.28326 0.28626 0.28843 0.29138 0.29486 0.29716 0.30077 0.30203 0.30536 0.31204 0.31521 0.31995 0.32617 0.32785 0.33279 0.33795 0.34111 0.34770 0.34895 0.35255 0.36045 0.37168 0.37239 0.38319 0.38748 0.39186 0.39991 0.41210 0.42629 0.42753 0.43139 0.44062 0.44771 0.45561 0.46882 0.47201 0.47323 0.47836 0.48250 0.49097 0.49727 0.51015 0.51324 0.51841 0.52858 0.53324 0.53806 0.54233 0.54869 0.55053 0.55298 0.56144 0.56180 0.56472 0.57111 0.57922 0.58786 0.59020 0.59085 0.59497 0.60190 0.60808 0.61681 0.62204 0.62491 0.62957 0.63284 0.63622 0.64219 0.64560 0.64760 0.64868 0.65537 0.65768 0.66252 0.66529 0.67065 0.67680 0.68170 0.69202 0.69688 0.69884 0.70115 0.70189 0.70544 0.71258 0.71413 0.71994 0.72220 0.72628 0.72997 0.73312 0.73428 0.73874 0.74025 0.75219 0.75553 0.75931 0.76407 0.76423 0.77088 0.77290 0.78141 0.78925 0.79596 0.80132 0.80350 0.81078 0.81514 0.81877 0.83417 0.83626 0.84160 0.84991 0.85487 0.86294 0.86902 0.87926 0.88273 0.88948 0.90760 0.91305 0.92035 0.93106 0.93920 0.94600 0.94638 0.95849 0.96277 0.96703 0.97342 0.98678 0.99498 1.00237 1.00872 1.01762 1.02035 1.03390 1.04013 1.04804 1.05918 1.06683 1.07653 1.08284 1.09111 1.09994 1.10614 1.11233 1.12233 1.13218 1.14177 1.14995 1.15808 1.16736 1.18452 1.18683 1.21086 1.22256 1.23542 1.25835 1.26438 1.28021 1.29296 1.30213 1.33680 1.34488 1.35338 1.36989 1.38309 1.38778 1.42041 1.43673 1.44207 1.44694 1.45224 1.45549 1.45788 1.46443 1.46874 1.47722 1.47953 1.49076 1.49670 1.50400 1.50586 1.50871 1.51098 1.52263 1.53182 1.54910 1.55163 1.55496 1.56024 1.56624 1.56826 1.57393 1.57876 1.58475 1.59169 1.60037 1.60448 1.61601 1.62154 1.62502 1.62661 1.63969 1.64493 1.64673 1.65723 1.66029 1.66431 1.66753 1.68162 1.69278 1.70987 1.71003 1.71248 1.72264 1.72717 1.73158 1.73476 1.74596 1.74807 1.74991 1.75607 1.76239 1.77616 1.78005 1.78444 1.79336 1.80154 1.81461 1.81908 1.83742 1.84374 1.85302 1.86591 1.87618 1.89110 1.89410 1.90617 1.91236 1.91734 1.92257 1.92765 1.93730 1.94081 1.94640 1.95611 1.96095 1.97011 1.97453 1.97824 1.98081 1.98537 2.00011 2.01716 2.02441 2.03962 2.06478 2.07217 2.07954 2.08913 2.09679 2.10125 2.10990 2.11675 2.13110 2.13760 2.15679 2.16515 2.17584 2.18549 2.18904 2.19862 2.19894 2.21018 2.22018 2.24229 2.24752 2.26916 2.28381 2.29108 2.30588 2.32277 2.35815 2.37262 2.39310 2.39852 2.40607 2.40802 2.41045 2.41414 2.43860 2.44218 2.45236 2.46964 2.47128 2.47854 2.48495 2.48617 2.50212 2.51251 2.52856 2.53437 2.53901 2.54045 2.54589 2.54701 2.55534 2.56866 2.57233 2.57945 2.59248 2.61410 2.61751 2.63580 2.64841 2.65218 2.66246 2.66676 2.67415 2.68400 2.69240 2.69820 2.70868 2.71345 2.71519 2.71997 2.72292 2.73278 2.73444 2.74587 2.74798 2.75364 2.75869 2.76761 2.77486 2.78552 2.79845 2.80289 2.81758 2.82590 2.83944 2.84846 2.85911 2.87255 2.87947 2.88687 2.89389 2.90141 2.90674 2.91652 2.92164 2.93018 2.94395 2.95503 2.96852 2.97717 2.98612 2.99844 3.00864 3.01775 3.03251 3.04306 3.05139 3.07544 3.09033 3.09611 3.11098 3.14737 3.15655 3.18121 3.19145 3.20166 3.21715 3.22874 3.26996 3.28923 3.32806 3.35784 3.39514 3.40139 3.42034 3.46847 3.49223 3.52546 3.55364 3.57544 3.58220 3.59653 3.60368 3.64055 3.64751 3.69600 3.72774 3.76322 3.77147 3.79143 3.79181 3.80185 3.80705 3.82718 3.82744 3.83019 3.84796 3.85828 3.88397 3.97450 4.03809 4.04649 4.06310 4.12560 4.18149 4.23284 4.28479 4.28672 4.29344 4.34123 4.41829 4.44111 4.83436 4.84522 4.87926 4.88862 23.50785 23.57103 23.78029 23.81360 23.83071 23.89128 23.91728 23.92526 23.95938 23.96277 23.96363 23.97160 23.97762 24.00749 24.00900 24.11932 24.13021 24.19015 24.19998 24.23497 25.14335 35.54457 1-A. Mulliken charges: 1 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 N C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H 0.269545 -0.534420 0.573827 0.258232 0.179900 0.662497 -0.831237 -0.071697 -0.354906 -0.345864 -0.017524 -0.566367 0.156714 -0.533126 -0.553985 -0.542108 0.021404 -0.532116 -0.311338 -0.109710 -0.446734 0.182204 0.113609 0.145444 0.209406 0.125656 0.108976 0.154945 0.131219 0.121944 0.162101 0.118278 0.125551 0.117067 0.144401 0.143939 0.136546 0.147124 0.145781 0.138493 0.135259 0.145176 0.145835 0.143705 0.121748 0.124421 0.140186 -0.00000 0.2904 -0.2303 -0.0372 0.3725 -128.9578 -126.6407 -131.7337 1.7481 -4.8829 -1.1149 0.1529 2.4701 -2.6230 1.7481 -4.8829 -1.1149 99.3767 6.7631 -7.2691 -18.9397 34.6373 34.6549 -15.7381 -3.6936 -2.6045 -1.3232 -13002.5800 -2178.5460 -1226.6079 90.5554 -189.3105 -61.1033 -34.9908 -37.5512 -1.1090 -2492.5216 -2370.9398 -560.8107 29.1736 -5.7651 2.6209 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-DEPAZ13 APULGAR 2022-12-09T00:00:00.000 0 Wavefunction terbinafine CONF32 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-870.2431959 RMSD=3.564e-09 Dipole=0.0347665,-0.1399948,-0.0258118 Quadrupole=-0.2266915,0.021553,0.2051385,1.6017249,-3.9346138,1.0274407 PG=C01 [X(C21H25N1)] 0 -1.8152297808 -0.8021360917 -0.5209619804 0 -3.0881908849 -0.3160709984 0.0234307574 0 -2.9526663092 0.8862201003 0.9329112672 0 -2.4284112655 2.1281020534 0.4485826792 0 -2.3510142024 3.2449857423 1.3433471475 0 5.1131454363 -2.8895612652 -1.2402615982 0 -0.8750015669 -1.2165373184 0.5242449101 0 -3.3627438485 0.7951423986 2.2458477618 0 -1.9853391324 2.3068764094 -0.8903506982 0 -2.036751387 -1.8514314195 -1.5087446848 0 -2.7856798573 3.0956843559 2.6866392616 0 -3.2816655894 1.8958170771 3.1290186628 0 -1.8432386798 4.4821474599 0.8665124834 0 5.2336229396 -2.2751927955 -2.6539545702 0 5.4735731762 -4.3915681135 -1.294979219 0 6.0772094726 -2.1601598755 -0.2757030667 0 0.5207769175 -1.3517785979 -0.0048402142 0 -1.5031418001 3.5210893113 -1.3205266936 0 -1.4295231881 4.621109821 -0.4359773984 0 3.7343424258 -2.7346250876 -0.7585921069 0 1.2671097135 -2.4599256156 0.1076409834 0 2.6005276612 -2.5903530367 -0.3654759177 0 -3.619437324 -1.1164862515 0.5705420892 0 -3.7228736823 -0.0520320959 -0.8300494897 0 -0.880866207 -0.4403906018 1.2962688874 0 -1.1948133835 -2.1573053535 1.0123311712 0 -3.7573258228 -0.1469563841 2.6125455479 0 -2.0007669276 1.4619250704 -1.5646180328 0 -2.6586537324 -1.4682436892 -2.3219779805 0 -2.5389984533 -2.7389937198 -1.0794211269 0 -1.0832423771 -2.1737232396 -1.9297730542 0 -2.7198513201 3.9469764303 3.3562194839 0 -3.6126143391 1.783711836 4.1553229993 0 -1.7886744056 5.321042594 1.552745072 0 4.9820343794 -1.2121528609 -2.6382973588 0 4.5604916707 -2.775597965 -3.3540484481 0 6.2586476922 -2.3833036464 -3.0216999078 0 5.3944208103 -4.8468446622 -0.3049235434 0 4.8046412983 -4.9276496094 -1.9723929057 0 6.5004027244 -4.5165202809 -1.6520252922 0 7.1080930014 -2.2678483617 -0.6269900673 0 5.839835741 -1.0952102251 -0.2205569219 0 6.0094665823 -2.5779997147 0.7314510465 0 0.9247816825 -0.474081851 -0.5020127738 0 -1.1693119293 3.6353371294 -2.3459321055 0 -1.0438868511 5.5714061486 -0.7879274823 0 0.8407308516 -3.3356381141 0.5951214691 Gaussian 16 9-Dec-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 135 C1[X(C21H25N)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) 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 0 0 0 0 0 0 0 0 0 0 266.23139999999984 AuxInfo=1/0/N:2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;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/rA:47nN0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.8152,-.8021,-.521;-3.0882,-.3161,.0234;-2.9527,.8862,.9329;-2.4284,2.1281,.4486;-2.351,3.245,1.3433;5.1131,-2.8896,-1.2403;-.875,-1.2165,.5242;-3.3627,.7951,2.2458;-1.9853,2.3069,-.8904;-2.0368,-1.8514,-1.5087;-2.7857,3.0957,2.6866;-3.2817,1.8958,3.129;-1.8432,4.4821,.8665;5.2336,-2.2752,-2.654;5.4736,-4.3916,-1.295;6.0772,-2.1602,-.2757;.5208,-1.3518,-.0048;-1.5031,3.5211,-1.3205;-1.4295,4.6211,-.436;3.7343,-2.7346,-.7586;1.2671,-2.4599,.1076;2.6005,-2.5904,-.3655;-3.6194,-1.1165,.5705;-3.7229,-.052,-.83;-.8809,-.4404,1.2963;-1.1948,-2.1573,1.0123;-3.7573,-.147,2.6125;-2.0008,1.4619,-1.5646;-2.6587,-1.4682,-2.322;-2.539,-2.739,-1.0794;-1.0832,-2.1737,-1.9298;-2.7199,3.947,3.3562;-3.6126,1.7837,4.1553;-1.7887,5.321,1.5527;4.982,-1.2122,-2.6383;4.5605,-2.7756,-3.354;6.2586,-2.3833,-3.0217;5.3944,-4.8468,-.3049;4.8046,-4.9276,-1.9724;6.5004,-4.5165,-1.652;7.1081,-2.2678,-.627;5.8398,-1.0952,-.2206;6.0095,-2.578,.7315;.9248,-.4741,-.502;-1.1693,3.6353,-2.3459;-1.0439,5.5714,-.7879;.8407,-3.3356,.5951; oldchk=/home/apulgar/almacen/pesticidas/G2-G4/terbinafine/gaussian/gas/CONF32/o #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6/2 8/6=1,10=2,108=10/1 9/41=10,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum terbinafine CONF32 gas 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 38 39 40 41 42 43 44 45 46 47 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 656 A 634 A 634 992 656 79 79 1600.6266654404 47 47 47 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0429124232 0.000000 1.467328 0.000000 2.501611 1.513613 0.000000 3.146793 2.567108 1.432372 0.000000 4.487974 3.868686 2.468647 1.433186 0.000000 7.271665 8.688020 9.167144 9.214348 10.001069 0.000000 1.465679 2.441283 2.984173 3.688552 4.770192 6.463002 0.000000 3.549836 2.499862 1.378500 2.424855 2.799971 9.877788 3.633130 0.000000 3.135497 2.988500 2.505648 1.421624 2.450137 8.804197 3.955803 3.744105 0.000000 1.458015 2.410481 3.780915 4.452102 5.848646 7.229856 2.426067 4.781169 4.204352 0.000000 5.140378 4.338694 2.825806 2.464296 1.419739 10.659979 5.188631 2.412425 3.749349 6.529632 0.000000 4.769879 3.817664 2.439347 2.822541 2.423838 10.604872 4.718435 1.413524 4.243202 6.091021 1.371635 0.000000 5.463472 5.028279 3.763766 2.461427 1.419780 10.352385 5.790478 4.219653 2.799744 6.767091 2.474538 3.725199 0.000000 7.510385 8.958746 9.480267 9.365976 10.196936 1.546121 6.966850 10.360142 8.730353 7.372206 11.030752 11.106315 10.398909 0.000000 8.161481 9.573489 10.189213 10.391702 11.247306 1.545615 7.327673 10.840661 10.033357 7.931139 11.837546 11.651488 11.702590 2.526546 0.000000 8.012177 9.353861 9.606239 9.552977 10.142577 1.546551 7.061415 10.208073 9.237797 8.212921 10.721482 10.753214 10.399923 2.526054 2.526358 0.000000 2.454672 3.754749 4.237077 4.583980 5.585252 4.998089 1.498806 4.975600 4.522223 3.008709 6.160896 5.901400 6.354724 5.484653 5.952728 5.621458 0.000000 4.407605 4.363760 3.757877 2.434396 2.809154 9.212933 5.122777 4.858800 1.375456 5.402235 4.228859 5.059952 2.412973 8.986596 10.549187 9.530476 5.438025 0.000000 5.437609 5.228574 4.259486 2.827598 2.430814 9.993176 5.942024 5.056437 2.423028 6.588880 3.730525 4.854570 1.373663 9.842557 11.385033 10.117428 6.298011 1.413468 0.000000 5.881219 7.280654 7.790237 7.942476 8.786664 1.468710 5.019593 8.476706 7.625540 5.886279 9.400682 9.261689 9.264566 2.459943 2.461320 2.460126 3.578744 8.178079 8.993132 0.000000 3.555872 4.855085 5.448327 5.901111 6.867591 4.097977 2.511616 6.050036 5.856348 3.728065 7.344463 6.985168 7.644772 4.836710 4.836623 4.834653 1.340766 6.744368 7.596605 2.629269 0.000000 4.766635 6.138821 6.679097 6.943827 7.841494 2.677316 3.841650 7.337656 6.729675 4.832952 8.405811 8.181529 8.443051 3.502806 3.516069 3.504346 2.447343 7.423069 8.261445 1.208673 1.420864 0.000000 2.131985 1.105540 2.141665 3.458435 4.607446 9.092899 2.746649 2.554773 4.064960 2.714493 4.787003 3.966593 5.881087 9.492979 9.843230 9.789297 4.186622 5.437091 6.223248 7.646113 5.088954 6.460370 0.000000 2.072992 1.095887 2.140460 2.839633 4.180428 9.289514 3.361631 3.210692 2.930377 2.557630 4.811814 4.434298 5.193278 9.406801 10.179507 10.039578 4.514297 4.234970 5.220441 7.925370 5.619355 6.829664 1.762220 0.000000 2.075144 2.551050 2.486821 3.116187 3.968066 6.954179 1.094742 2.930522 3.680848 3.345924 4.250326 3.818465 5.034107 7.507179 7.918666 7.337814 2.118518 4.788337 5.377777 5.548524 3.178861 4.416315 2.912655 3.570582 0.000000 2.138314 2.820097 3.515594 4.494919 5.534539 6.738005 1.107047 3.865027 4.916711 2.675489 5.738298 5.026243 6.672635 7.401374 7.401553 7.385212 2.150991 6.146662 6.935387 5.269350 2.640286 4.060849 2.675310 3.770627 1.768327 0.000000 3.744311 2.679525 2.129813 3.409493 3.885080 10.052426 3.716557 1.085225 4.629418 4.780235 3.385898 2.160074 5.304806 10.634969 10.885540 10.445719 5.157952 5.831377 6.119364 8.613112 6.072012 7.433781 2.264681 3.444076 3.176902 3.628865 0.000000 2.499923 2.620240 2.734081 2.163250 3.429029 8.345561 3.578387 4.101125 1.081119 3.314023 4.621520 4.884587 3.880329 8.215175 9.497465 8.946201 4.087544 2.132456 3.403028 7.152076 5.371814 6.247464 3.718495 2.407760 3.613538 4.515424 4.808606 0.000000 2.097313 2.648197 4.027933 4.545627 5.978610 7.974404 3.368346 5.146231 4.093219 1.093135 6.777302 6.435714 6.799892 7.940366 8.702509 8.998961 3.935921 5.218386 6.492148 6.702111 4.722086 5.722414 3.068145 2.316046 4.160375 3.706110 5.225170 3.097144 0.000000 2.141760 2.718170 4.166867 5.102514 6.458572 7.655315 2.767400 4.922000 5.079674 1.106498 6.948923 6.304284 7.511033 7.944049 8.184056 8.672949 3.527225 6.349785 7.471016 6.281541 3.996680 5.191006 2.553871 2.946780 3.698227 2.553551 4.672643 4.262960 1.781311 0.000000 2.098048 3.359419 4.588351 5.096249 6.456235 6.275593 2.642305 5.607682 4.687211 1.091016 7.209453 6.854604 7.259299 6.359050 6.950801 7.349027 2.637013 5.742681 6.965708 4.989529 3.123639 4.023775 3.715052 3.560705 3.667798 2.944265 5.647226 3.767377 1.770155 1.778161 0.000000 6.197172 5.423719 3.910864 3.442033 2.163443 11.367573 6.171339 3.402983 4.611160 7.599739 1.085066 2.138810 2.693232 11.751397 12.581621 11.308238 7.062238 4.851156 4.062039 10.160319 8.215687 9.213801 5.848753 5.875625 5.184038 6.714299 4.288320 5.559425 7.846673 8.025572 8.251253 0.000000 5.637805 4.664402 3.409540 3.906516 3.410889 11.273451 5.448004 2.164671 5.327340 6.912255 2.135913 1.084156 4.607442 11.878421 12.263714 11.361373 6.650051 6.119909 5.822092 9.926717 7.629148 8.841561 4.611057 5.313761 4.536879 5.590687 2.475598 5.951414 7.310314 7.000719 7.686833 2.472914 0.000000 6.464850 5.983694 4.626740 3.438504 2.161038 11.083773 6.680761 4.841679 3.884918 7.802477 2.689229 4.055346 1.085190 11.167443 12.457310 11.008349 7.230918 3.402507 2.138671 10.036921 8.483490 9.248505 6.764480 6.187792 5.838151 7.521330 5.907434 4.965453 7.865415 8.512078 8.294401 2.451055 4.755300 0.000000 7.131201 8.544957 8.950764 8.694874 9.460083 2.187554 6.656318 9.875193 7.998949 7.137781 10.356148 10.545622 9.554742 1.092518 3.486373 2.771277 5.182414 8.136191 8.943447 2.721755 4.785162 3.568855 9.181019 8.966106 7.102819 7.236978 10.250971 7.554005 7.651520 7.831173 6.181764 11.039470 11.357661 10.299999 0.000000 7.250569 8.715445 9.393321 9.346178 10.299605 2.187809 6.856852 10.338602 8.645765 6.912514 11.177124 11.196058 10.559156 1.092539 2.772155 3.486461 5.437256 8.975028 9.955235 2.724077 4.788456 3.578734 9.223139 9.077584 7.529078 7.250593 10.568637 8.013038 7.408806 7.455067 5.851713 11.967627 11.999068 11.399304 1.770412 0.000000 8.598911 10.045380 10.544052 10.385598 11.173968 2.177612 8.051337 11.420191 9.721304 8.448998 12.016834 12.130944 11.308987 1.094349 2.762432 2.761016 6.564194 9.899557 10.717077 3.408401 5.891867 4.525510 10.587048 10.481838 8.566938 8.478123 11.707506 9.226419 8.991396 9.016515 7.425603 12.702903 12.896336 12.043334 1.774354 1.774284 0.000000 8.269547 9.622392 10.201673 10.507824 11.321938 2.187449 7.291934 10.725035 10.294625 8.102099 11.787589 11.512164 11.865331 3.486717 1.092590 2.772243 6.004827 10.891746 11.671570 2.724545 4.785634 3.591832 9.794471 10.314603 7.833255 7.237872 10.693692 9.801847 8.963005 8.245121 7.193458 12.513060 12.040962 12.587046 4.338857 3.779241 3.767864 0.000000 7.934054 9.356643 10.120163 10.390467 11.357355 2.187463 7.229377 10.828208 9.980632 7.515500 11.987220 11.746168 11.865832 2.772017 1.092585 3.486716 5.916892 10.563818 11.506702 2.725474 4.788563 3.592110 9.589400 9.889141 7.946360 7.250989 10.825154 9.343796 8.233497 7.714704 6.500239 12.797308 12.387149 12.685981 3.778864 2.569028 3.112696 1.770543 0.000000 9.177456 10.601512 11.190711 11.326397 12.147461 2.177390 8.367952 11.861232 10.915434 8.944620 12.767184 12.635874 12.527386 2.762633 1.094291 2.761483 6.963098 11.347677 12.159720 3.409467 5.891805 4.535896 10.904641 11.185825 8.932547 8.478269 11.937364 10.393235 9.676215 9.230290 7.942135 13.480593 13.254861 13.257337 3.767893 3.113029 2.546580 1.773977 1.774055 0.000000 9.043519 10.401764 10.658345 10.555859 11.124220 2.177715 8.133904 11.281557 10.182729 9.196688 11.731767 11.806388 11.310143 2.760847 2.761892 1.094404 6.679745 10.399334 10.972015 3.408430 5.890133 4.526648 10.855396 11.057166 8.417957 8.463914 11.534735 9.887451 9.944933 9.669180 8.294822 12.291399 12.418503 11.895166 3.111266 3.766289 2.543526 3.113137 3.767033 2.544899 0.000000 7.666561 8.965280 9.086509 8.899517 9.400698 2.188052 6.757107 9.713087 8.558982 8.016977 10.020724 10.166990 9.556059 2.771512 3.486331 1.092477 5.329610 8.742967 9.250205 2.722180 4.783303 3.570654 9.492320 9.638730 6.920794 7.220412 10.051426 8.355866 8.762388 8.581639 7.212047 10.558656 10.806726 10.124577 2.568067 3.778782 3.111429 3.778925 4.339141 3.767070 1.774470 0.000000 8.120844 9.401329 9.610475 9.665671 10.206822 2.188176 7.020856 10.075208 9.508374 8.383794 10.647443 10.587186 10.560724 3.486344 2.771756 1.092492 5.671989 9.891854 10.417708 2.724142 4.784666 3.581098 9.740519 10.175325 7.236372 7.222017 10.239078 9.260495 9.256959 8.739647 7.586308 11.210072 11.105488 11.130157 3.778407 4.339341 3.766449 2.569049 3.779316 3.111244 1.774411 1.770242 0.000000 2.759645 4.050310 4.352474 4.349586 5.288445 4.891006 2.200833 5.248290 4.043926 3.417789 6.056258 6.041110 5.839436 5.142078 6.055328 5.426010 1.086624 4.746174 5.613207 3.615179 2.105336 2.702845 4.713065 4.678294 2.548591 3.101477 5.632905 3.665527 4.140246 4.178636 2.993233 6.907609 6.883050 6.720740 4.644326 5.162313 6.200329 6.256003 6.086838 6.982219 6.439453 4.962134 5.639319 0.000000 4.841373 4.990952 4.635603 3.415611 3.893530 9.125025 5.644929 5.827718 2.132938 5.617647 5.313252 6.120707 3.389847 8.719336 10.472041 9.507140 5.762676 1.084413 2.165037 8.194016 7.007739 7.542753 6.090054 4.734477 5.473608 6.695767 6.752041 2.454687 5.316507 6.641700 5.824584 5.917417 7.187806 4.292423 7.837263 8.657196 9.584116 10.917679 10.447602 11.214224 10.311052 8.719143 9.980516 4.967151 0.000000 6.425596 6.284892 5.343753 3.911804 3.415135 10.473854 6.915670 6.115029 3.399114 7.523555 4.608216 5.818941 2.136029 10.220484 11.916176 10.523759 7.140860 2.167574 1.084273 9.582405 8.405060 8.948438 7.294299 6.229109 6.364916 7.937046 7.185098 4.290303 7.383593 8.448850 7.828946 4.756215 6.736521 2.469036 9.260252 10.376248 11.026974 12.256633 12.076358 12.626529 11.310817 9.599548 10.884444 6.364380 2.488267 0.000000 3.836457 4.988090 5.685776 6.368769 7.351985 4.671311 2.727517 6.120249 6.483153 3.861221 7.673800 7.126213 8.270134 5.565837 5.113775 5.436984 2.097146 7.495209 8.338289 3.250653 1.089178 2.138944 4.981801 5.799971 3.440634 2.388718 5.948093 5.979565 4.923649 3.818723 3.380357 8.563754 7.662575 9.097743 5.666973 5.454008 6.583476 4.881590 4.983896 6.202906 6.474068 5.538583 5.225747 3.065823 7.828446 9.208694 0.000000 C21H25N 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 0 0 0 0 0 0 0 0 0 0 266.23139999999984 AuxInfo=1/0/N:2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;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/rA:47nN0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.9161,-1.5761,-1.0004;-2.3181,-1.9761,-.8352;-3.1177,-1.0661,.0723;-3.3164,.3153,-.2498;-4.1086,1.1257,.6276;5.8763,.6977,.2529;-.1807,-1.5569,.2673;-3.687,-1.5786,1.2184;-2.7661,.9218,-1.4119;-.2544,-2.3968,-2.0076;-4.6703,.5473,1.7962;-4.4643,-.7775,2.0857;-4.3191,2.493,.3081;5.939,1.4913,-1.0726;7.0412,-.3168,.3056;5.986,1.6751,1.4464;1.1106,-.805,.1501;-2.9941,2.2486,-1.6937;-3.7771,3.0448,-.8271;4.5978,-.0212,.3292;2.3106,-1.3102,.4701;3.5374,-.5981,.3891;-2.3952,-3.0118,-.4561;-2.7715,-1.9782,-1.8329;-.8123,-1.051,1.0045;.0025,-2.5797,.6493;-3.5337,-2.6247,1.463;-2.1337,.3323,-2.0611;-.7761,-2.3011,-2.9634;-.2313,-3.4685,-1.7332;.7746,-2.061,-2.1442;-5.2659,1.1707,2.4549;-4.8937,-1.2172,2.9789;-4.9201,3.0974,.9797;5.1226,2.2149,-1.1311;5.8634,.8203,-1.9315;6.8876,2.033,-1.1386;7.0159,-.8901,1.2354;6.9844,-1.0181,-.5302;7.9985,.2105,.2504;6.9351,2.2178,1.3977;5.1705,2.4019,1.4297;5.944,1.1359,2.3956;1.0319,.2147,-.2169;-2.5638,2.6915,-2.5851;-3.9455,4.0902,-1.06;2.3728,-2.3393,.8215; 0.4620904 0.1006294 0.0940400 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 NBasis= 634 RedAO= T EigKep= 1.04D-06 NBF= 634 NBsUse= 629 1.00D-06 EigRej= 7.98D-07 NBFU= 629 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= 654 654 654 654 654 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -870.243195940126 -870.243195940 1 8.661249162498e+02 -5.218989252195e+03 1.882037386988e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245848878 LenY= 4245417886 Requested convergence on RMS density matrix=1.00D-08 within 128 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. 1 Singlet-A 3.9610 313.01 0.0287 0.000 78 80 -0.46196 79 80 0.52921 -870.097632913 2 Singlet-A 4.2385 292.52 0.1007 0.000 76 82 -0.10955 78 80 0.52227 79 80 0.44956 3 Singlet-A 4.3866 282.65 0.0041 0.000 76 80 0.47054 77 82 0.10978 78 82 0.14698 79 81 0.24669 79 82 0.40782 4 Singlet-A 4.4762 276.98 0.0099 0.000 77 80 0.68981 79 81 -0.10874 5 Singlet-A 4.5312 273.62 0.0211 0.000 77 80 -0.10431 78 81 0.48896 79 81 -0.45739 79 82 0.15381 6 Singlet-A 4.8478 255.75 0.0143 0.000 78 81 0.35430 78 82 0.42005 79 81 0.19261 79 82 -0.37939 7 Singlet-A 4.8773 254.21 0.0730 0.000 76 80 0.11277 78 81 -0.33515 78 82 0.44825 79 81 -0.39841 8 Singlet-A 5.0708 244.50 0.0023 0.000 75 80 -0.32683 75 81 0.57819 75 82 -0.20265 9 Singlet-A 5.1839 239.17 0.1849 0.000 77 81 0.57156 77 82 0.29336 78 82 -0.14058 79 82 -0.14023 10 Singlet-A 5.2773 234.94 0.2205 0.000 77 81 -0.24410 77 82 0.51727 78 82 -0.11219 79 82 -0.13154 79 83 0.29588 79 84 0.11367 PT40359.200S Fri Dec 9 01:42:08 2022 -14.31183 -10.20850 -10.20331 -10.19871 -10.18893 -10.18810 -10.18751 -10.18734 -10.18683 -10.17905 -10.17881 -10.17847 -10.17806 -10.17776 -10.17707 -10.17594 -10.17303 -10.16409 -10.16400 -10.16382 -10.16263 -10.16031 -0.93289 -0.87924 -0.83501 -0.82862 -0.80799 -0.78711 -0.74601 -0.74460 -0.73592 -0.70126 -0.69379 -0.69184 -0.69155 -0.63264 -0.62237 -0.61821 -0.59647 -0.57933 -0.56738 -0.52075 -0.51521 -0.50580 -0.50046 -0.48207 -0.47783 -0.47391 -0.45986 -0.44965 -0.44539 -0.44514 -0.43651 -0.42487 -0.42163 -0.40801 -0.39889 -0.39803 -0.39744 -0.39727 -0.38855 -0.37803 -0.37611 -0.37160 -0.36824 -0.36783 -0.35939 -0.34735 -0.34531 -0.34274 -0.33343 -0.33145 -0.31991 -0.28732 -0.26175 -0.25185 -0.23225 -0.22771 -0.21970 -0.05190 -0.02768 -0.02216 -0.00114 0.00257 0.00876 0.01060 0.01214 0.01930 0.02480 0.02636 0.03088 0.03144 0.03623 0.03896 0.04432 0.04763 0.04952 0.05410 0.05631 0.05709 0.05980 0.06197 0.06683 0.06786 0.07061 0.07243 0.07562 0.08048 0.08201 0.08400 0.08699 0.08785 0.09586 0.09920 0.10077 0.10355 0.10600 0.10673 0.11268 0.11748 0.11892 0.12149 0.12747 0.13254 0.13325 0.13642 0.14040 0.14268 0.14797 0.15123 0.15307 0.15605 0.15793 0.16105 0.16311 0.16553 0.16686 0.16934 0.17348 0.17726 0.17887 0.18243 0.18490 0.18652 0.19015 0.19054 0.19439 0.19868 0.20203 0.20368 0.20710 0.21024 0.21115 0.21431 0.21503 0.21725 0.22016 0.22181 0.22385 0.22740 0.22991 0.23361 0.23457 0.23814 0.23971 0.24251 0.24291 0.24508 0.24826 0.24913 0.25112 0.25484 0.25603 0.25697 0.25815 0.26071 0.26189 0.26634 0.26978 0.27435 0.27963 0.28069 0.28326 0.28626 0.28843 0.29138 0.29486 0.29716 0.30077 0.30203 0.30536 0.31204 0.31521 0.31995 0.32617 0.32785 0.33279 0.33795 0.34111 0.34770 0.34895 0.35255 0.36045 0.37168 0.37239 0.38319 0.38748 0.39186 0.39991 0.41210 0.42629 0.42753 0.43139 0.44062 0.44771 0.45561 0.46882 0.47201 0.47323 0.47836 0.48250 0.49097 0.49727 0.51015 0.51324 0.51841 0.52858 0.53324 0.53806 0.54233 0.54869 0.55053 0.55298 0.56144 0.56180 0.56472 0.57111 0.57922 0.58786 0.59020 0.59085 0.59497 0.60190 0.60808 0.61681 0.62204 0.62491 0.62957 0.63284 0.63622 0.64219 0.64560 0.64760 0.64868 0.65537 0.65768 0.66252 0.66529 0.67065 0.67680 0.68170 0.69202 0.69688 0.69884 0.70115 0.70189 0.70544 0.71258 0.71413 0.71994 0.72220 0.72628 0.72997 0.73312 0.73428 0.73874 0.74025 0.75219 0.75553 0.75931 0.76407 0.76423 0.77088 0.77290 0.78141 0.78925 0.79596 0.80132 0.80350 0.81078 0.81514 0.81877 0.83417 0.83626 0.84160 0.84991 0.85487 0.86294 0.86902 0.87926 0.88273 0.88948 0.90760 0.91305 0.92035 0.93106 0.93920 0.94600 0.94638 0.95849 0.96277 0.96703 0.97342 0.98678 0.99498 1.00237 1.00872 1.01762 1.02035 1.03390 1.04013 1.04804 1.05918 1.06683 1.07653 1.08284 1.09111 1.09994 1.10614 1.11233 1.12233 1.13218 1.14177 1.14995 1.15808 1.16736 1.18452 1.18683 1.21086 1.22256 1.23542 1.25835 1.26438 1.28021 1.29296 1.30213 1.33680 1.34488 1.35338 1.36989 1.38309 1.38778 1.42041 1.43673 1.44207 1.44694 1.45224 1.45549 1.45788 1.46443 1.46874 1.47722 1.47953 1.49076 1.49670 1.50400 1.50586 1.50871 1.51098 1.52263 1.53182 1.54910 1.55163 1.55496 1.56024 1.56624 1.56826 1.57393 1.57876 1.58475 1.59169 1.60037 1.60448 1.61601 1.62154 1.62502 1.62661 1.63969 1.64493 1.64673 1.65723 1.66029 1.66431 1.66753 1.68162 1.69278 1.70987 1.71003 1.71248 1.72264 1.72717 1.73158 1.73476 1.74596 1.74807 1.74991 1.75607 1.76239 1.77616 1.78005 1.78444 1.79336 1.80154 1.81461 1.81908 1.83742 1.84374 1.85302 1.86591 1.87618 1.89110 1.89410 1.90617 1.91236 1.91734 1.92257 1.92765 1.93730 1.94081 1.94640 1.95611 1.96095 1.97011 1.97453 1.97824 1.98081 1.98537 2.00011 2.01716 2.02441 2.03962 2.06478 2.07217 2.07954 2.08913 2.09679 2.10125 2.10990 2.11675 2.13110 2.13760 2.15679 2.16515 2.17584 2.18549 2.18904 2.19862 2.19894 2.21018 2.22018 2.24229 2.24752 2.26916 2.28381 2.29108 2.30588 2.32277 2.35815 2.37262 2.39310 2.39852 2.40607 2.40802 2.41045 2.41414 2.43860 2.44218 2.45236 2.46964 2.47128 2.47854 2.48495 2.48617 2.50212 2.51251 2.52856 2.53437 2.53901 2.54045 2.54589 2.54701 2.55534 2.56866 2.57233 2.57945 2.59248 2.61410 2.61751 2.63580 2.64841 2.65218 2.66246 2.66676 2.67415 2.68400 2.69240 2.69820 2.70868 2.71345 2.71519 2.71997 2.72292 2.73278 2.73444 2.74587 2.74798 2.75364 2.75869 2.76761 2.77486 2.78552 2.79845 2.80289 2.81758 2.82590 2.83944 2.84846 2.85911 2.87255 2.87947 2.88687 2.89389 2.90141 2.90674 2.91652 2.92164 2.93018 2.94395 2.95503 2.96852 2.97717 2.98612 2.99844 3.00864 3.01775 3.03251 3.04306 3.05139 3.07544 3.09033 3.09611 3.11098 3.14737 3.15655 3.18121 3.19145 3.20166 3.21715 3.22874 3.26996 3.28923 3.32806 3.35784 3.39514 3.40139 3.42034 3.46847 3.49223 3.52546 3.55364 3.57544 3.58220 3.59653 3.60368 3.64055 3.64751 3.69600 3.72774 3.76322 3.77147 3.79143 3.79181 3.80185 3.80705 3.82718 3.82744 3.83019 3.84796 3.85828 3.88397 3.97450 4.03809 4.04649 4.06310 4.12560 4.18149 4.23284 4.28479 4.28672 4.29344 4.34123 4.41829 4.44111 4.83436 4.84522 4.87926 4.88862 23.50785 23.57103 23.78029 23.81360 23.83071 23.89128 23.91728 23.92526 23.95938 23.96277 23.96363 23.97160 23.97762 24.00749 24.00900 24.11932 24.13021 24.19015 24.19998 24.23497 25.14335 35.54457 1-A. Mulliken charges: 1 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 N C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H 0.269545 -0.534420 0.573827 0.258232 0.179900 0.662497 -0.831237 -0.071697 -0.354906 -0.345864 -0.017524 -0.566367 0.156714 -0.533126 -0.553985 -0.542108 0.021404 -0.532116 -0.311338 -0.109710 -0.446734 0.182204 0.113609 0.145444 0.209406 0.125656 0.108976 0.154945 0.131219 0.121944 0.162101 0.118278 0.125551 0.117067 0.144401 0.143939 0.136546 0.147124 0.145781 0.138493 0.135259 0.145176 0.145835 0.143705 0.121748 0.124421 0.140186 -0.00000 0.2904 -0.2303 -0.0372 0.3725 -128.9578 -126.6407 -131.7337 1.7481 -4.8829 -1.1149 0.1529 2.4701 -2.6230 1.7481 -4.8829 -1.1149 99.3767 6.7631 -7.2691 -18.9397 34.6373 34.6549 -15.7381 -3.6936 -2.6045 -1.3232 -13002.5800 -2178.5460 -1226.6079 90.5554 -189.3105 -61.1033 -34.9908 -37.5512 -1.1090 -2492.5216 -2370.9398 -560.8107 29.1736 -5.7651 2.6209 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-DEPAZ13 APULGAR 2022-12-09T00:00:00.000 0 Electronic spectrum terbinafine CONF32gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-870.2431959 RMSD=3.755e-09 PG=C01 [X(C21H25N1)] 0 -1.8152297808 -0.8021360917 -0.5209619804 0 -3.0881908849 -0.3160709984 0.0234307574 0 -2.9526663092 0.8862201003 0.9329112672 0 -2.4284112655 2.1281020534 0.4485826792 0 -2.3510142024 3.2449857423 1.3433471475 0 5.1131454363 -2.8895612652 -1.2402615982 0 -0.8750015669 -1.2165373184 0.5242449101 0 -3.3627438485 0.7951423986 2.2458477618 0 -1.9853391324 2.3068764094 -0.8903506982 0 -2.036751387 -1.8514314195 -1.5087446848 0 -2.7856798573 3.0956843559 2.6866392616 0 -3.2816655894 1.8958170771 3.1290186628 0 -1.8432386798 4.4821474599 0.8665124834 0 5.2336229396 -2.2751927955 -2.6539545702 0 5.4735731762 -4.3915681135 -1.294979219 0 6.0772094726 -2.1601598755 -0.2757030667 0 0.5207769175 -1.3517785979 -0.0048402142 0 -1.5031418001 3.5210893113 -1.3205266936 0 -1.4295231881 4.621109821 -0.4359773984 0 3.7343424258 -2.7346250876 -0.7585921069 0 1.2671097135 -2.4599256156 0.1076409834 0 2.6005276612 -2.5903530367 -0.3654759177 0 -3.619437324 -1.1164862515 0.5705420892 0 -3.7228736823 -0.0520320959 -0.8300494897 0 -0.880866207 -0.4403906018 1.2962688874 0 -1.1948133835 -2.1573053535 1.0123311712 0 -3.7573258228 -0.1469563841 2.6125455479 0 -2.0007669276 1.4619250704 -1.5646180328 0 -2.6586537324 -1.4682436892 -2.3219779805 0 -2.5389984533 -2.7389937198 -1.0794211269 0 -1.0832423771 -2.1737232396 -1.9297730542 0 -2.7198513201 3.9469764303 3.3562194839 0 -3.6126143391 1.783711836 4.1553229993 0 -1.7886744056 5.321042594 1.552745072 0 4.9820343794 -1.2121528609 -2.6382973588 0 4.5604916707 -2.775597965 -3.3540484481 0 6.2586476922 -2.3833036464 -3.0216999078 0 5.3944208103 -4.8468446622 -0.3049235434 0 4.8046412983 -4.9276496094 -1.9723929057 0 6.5004027244 -4.5165202809 -1.6520252922 0 7.1080930014 -2.2678483617 -0.6269900673 0 5.839835741 -1.0952102251 -0.2205569219 0 6.0094665823 -2.5779997147 0.7314510465 0 0.9247816825 -0.474081851 -0.5020127738 0 -1.1693119293 3.6353371294 -2.3459321055 0 -1.0438868511 5.5714061486 -0.7879274823 0 0.8407308516 -3.3356381141 0.5951214691 Gaussian 16 9-Dec-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 135 C1[X(C21H25N)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 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 0 0 0 0 0 0 0 0 0 0 266.23139999999984 AuxInfo=1/0/N:2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;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/rA:47nN0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.8152,-.8021,-.521;-3.0882,-.3161,.0234;-2.9527,.8862,.9329;-2.4284,2.1281,.4486;-2.351,3.245,1.3433;5.1131,-2.8896,-1.2403;-.875,-1.2165,.5242;-3.3627,.7951,2.2458;-1.9853,2.3069,-.8904;-2.0368,-1.8514,-1.5087;-2.7857,3.0957,2.6866;-3.2817,1.8958,3.129;-1.8432,4.4821,.8665;5.2336,-2.2752,-2.654;5.4736,-4.3916,-1.295;6.0772,-2.1602,-.2757;.5208,-1.3518,-.0048;-1.5031,3.5211,-1.3205;-1.4295,4.6211,-.436;3.7343,-2.7346,-.7586;1.2671,-2.4599,.1076;2.6005,-2.5904,-.3655;-3.6194,-1.1165,.5705;-3.7229,-.052,-.83;-.8809,-.4404,1.2963;-1.1948,-2.1573,1.0123;-3.7573,-.147,2.6125;-2.0008,1.4619,-1.5646;-2.6587,-1.4682,-2.322;-2.539,-2.739,-1.0794;-1.0832,-2.1737,-1.9298;-2.7199,3.947,3.3562;-3.6126,1.7837,4.1553;-1.7887,5.321,1.5527;4.982,-1.2122,-2.6383;4.5605,-2.7756,-3.354;6.2586,-2.3833,-3.0217;5.3944,-4.8468,-.3049;4.8046,-4.9276,-1.9724;6.5004,-4.5165,-1.652;7.1081,-2.2678,-.627;5.8398,-1.0952,-.2206;6.0095,-2.578,.7315;.9248,-.4741,-.502;-1.1693,3.6353,-2.3459;-1.0439,5.5714,-.7879;.8407,-3.3356,.5951; oldchk=/home/apulgar/almacen/pesticidas/G2-G4/terbinafine/gaussian/gas/CONF32/o #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point terbinafine CONF32 gas 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 38 39 40 41 42 43 44 45 46 47 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1215 A 1083 A 1083 1551 1215 79 79 1600.6266654404 47 47 47 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0429124232 0.000000 1.467328 0.000000 2.501611 1.513613 0.000000 3.146793 2.567108 1.432372 0.000000 4.487974 3.868686 2.468647 1.433186 0.000000 7.271665 8.688020 9.167144 9.214348 10.001069 0.000000 1.465679 2.441283 2.984173 3.688552 4.770192 6.463002 0.000000 3.549836 2.499862 1.378500 2.424855 2.799971 9.877788 3.633130 0.000000 3.135497 2.988500 2.505648 1.421624 2.450137 8.804197 3.955803 3.744105 0.000000 1.458015 2.410481 3.780915 4.452102 5.848646 7.229856 2.426067 4.781169 4.204352 0.000000 5.140378 4.338694 2.825806 2.464296 1.419739 10.659979 5.188631 2.412425 3.749349 6.529632 0.000000 4.769879 3.817664 2.439347 2.822541 2.423838 10.604872 4.718435 1.413524 4.243202 6.091021 1.371635 0.000000 5.463472 5.028279 3.763766 2.461427 1.419780 10.352385 5.790478 4.219653 2.799744 6.767091 2.474538 3.725199 0.000000 7.510385 8.958746 9.480267 9.365976 10.196936 1.546121 6.966850 10.360142 8.730353 7.372206 11.030752 11.106315 10.398909 0.000000 8.161481 9.573489 10.189213 10.391702 11.247306 1.545615 7.327673 10.840661 10.033357 7.931139 11.837546 11.651488 11.702590 2.526546 0.000000 8.012177 9.353861 9.606239 9.552977 10.142577 1.546551 7.061415 10.208073 9.237797 8.212921 10.721482 10.753214 10.399923 2.526054 2.526358 0.000000 2.454672 3.754749 4.237077 4.583980 5.585252 4.998089 1.498806 4.975600 4.522223 3.008709 6.160896 5.901400 6.354724 5.484653 5.952728 5.621458 0.000000 4.407605 4.363760 3.757877 2.434396 2.809154 9.212933 5.122777 4.858800 1.375456 5.402235 4.228859 5.059952 2.412973 8.986596 10.549187 9.530476 5.438025 0.000000 5.437609 5.228574 4.259486 2.827598 2.430814 9.993176 5.942024 5.056437 2.423028 6.588880 3.730525 4.854570 1.373663 9.842557 11.385033 10.117428 6.298011 1.413468 0.000000 5.881219 7.280654 7.790237 7.942476 8.786664 1.468710 5.019593 8.476706 7.625540 5.886279 9.400682 9.261689 9.264566 2.459943 2.461320 2.460126 3.578744 8.178079 8.993132 0.000000 3.555872 4.855085 5.448327 5.901111 6.867591 4.097977 2.511616 6.050036 5.856348 3.728065 7.344463 6.985168 7.644772 4.836710 4.836623 4.834653 1.340766 6.744368 7.596605 2.629269 0.000000 4.766635 6.138821 6.679097 6.943827 7.841494 2.677316 3.841650 7.337656 6.729675 4.832952 8.405811 8.181529 8.443051 3.502806 3.516069 3.504346 2.447343 7.423069 8.261445 1.208673 1.420864 0.000000 2.131985 1.105540 2.141665 3.458435 4.607446 9.092899 2.746649 2.554773 4.064960 2.714493 4.787003 3.966593 5.881087 9.492979 9.843230 9.789297 4.186622 5.437091 6.223248 7.646113 5.088954 6.460370 0.000000 2.072992 1.095887 2.140460 2.839633 4.180428 9.289514 3.361631 3.210692 2.930377 2.557630 4.811814 4.434298 5.193278 9.406801 10.179507 10.039578 4.514297 4.234970 5.220441 7.925370 5.619355 6.829664 1.762220 0.000000 2.075144 2.551050 2.486821 3.116187 3.968066 6.954179 1.094742 2.930522 3.680848 3.345924 4.250326 3.818465 5.034107 7.507179 7.918666 7.337814 2.118518 4.788337 5.377777 5.548524 3.178861 4.416315 2.912655 3.570582 0.000000 2.138314 2.820097 3.515594 4.494919 5.534539 6.738005 1.107047 3.865027 4.916711 2.675489 5.738298 5.026243 6.672635 7.401374 7.401553 7.385212 2.150991 6.146662 6.935387 5.269350 2.640286 4.060849 2.675310 3.770627 1.768327 0.000000 3.744311 2.679525 2.129813 3.409493 3.885080 10.052426 3.716557 1.085225 4.629418 4.780235 3.385898 2.160074 5.304806 10.634969 10.885540 10.445719 5.157952 5.831377 6.119364 8.613112 6.072012 7.433781 2.264681 3.444076 3.176902 3.628865 0.000000 2.499923 2.620240 2.734081 2.163250 3.429029 8.345561 3.578387 4.101125 1.081119 3.314023 4.621520 4.884587 3.880329 8.215175 9.497465 8.946201 4.087544 2.132456 3.403028 7.152076 5.371814 6.247464 3.718495 2.407760 3.613538 4.515424 4.808606 0.000000 2.097313 2.648197 4.027933 4.545627 5.978610 7.974404 3.368346 5.146231 4.093219 1.093135 6.777302 6.435714 6.799892 7.940366 8.702509 8.998961 3.935921 5.218386 6.492148 6.702111 4.722086 5.722414 3.068145 2.316046 4.160375 3.706110 5.225170 3.097144 0.000000 2.141760 2.718170 4.166867 5.102514 6.458572 7.655315 2.767400 4.922000 5.079674 1.106498 6.948923 6.304284 7.511033 7.944049 8.184056 8.672949 3.527225 6.349785 7.471016 6.281541 3.996680 5.191006 2.553871 2.946780 3.698227 2.553551 4.672643 4.262960 1.781311 0.000000 2.098048 3.359419 4.588351 5.096249 6.456235 6.275593 2.642305 5.607682 4.687211 1.091016 7.209453 6.854604 7.259299 6.359050 6.950801 7.349027 2.637013 5.742681 6.965708 4.989529 3.123639 4.023775 3.715052 3.560705 3.667798 2.944265 5.647226 3.767377 1.770155 1.778161 0.000000 6.197172 5.423719 3.910864 3.442033 2.163443 11.367573 6.171339 3.402983 4.611160 7.599739 1.085066 2.138810 2.693232 11.751397 12.581621 11.308238 7.062238 4.851156 4.062039 10.160319 8.215687 9.213801 5.848753 5.875625 5.184038 6.714299 4.288320 5.559425 7.846673 8.025572 8.251253 0.000000 5.637805 4.664402 3.409540 3.906516 3.410889 11.273451 5.448004 2.164671 5.327340 6.912255 2.135913 1.084156 4.607442 11.878421 12.263714 11.361373 6.650051 6.119909 5.822092 9.926717 7.629148 8.841561 4.611057 5.313761 4.536879 5.590687 2.475598 5.951414 7.310314 7.000719 7.686833 2.472914 0.000000 6.464850 5.983694 4.626740 3.438504 2.161038 11.083773 6.680761 4.841679 3.884918 7.802477 2.689229 4.055346 1.085190 11.167443 12.457310 11.008349 7.230918 3.402507 2.138671 10.036921 8.483490 9.248505 6.764480 6.187792 5.838151 7.521330 5.907434 4.965453 7.865415 8.512078 8.294401 2.451055 4.755300 0.000000 7.131201 8.544957 8.950764 8.694874 9.460083 2.187554 6.656318 9.875193 7.998949 7.137781 10.356148 10.545622 9.554742 1.092518 3.486373 2.771277 5.182414 8.136191 8.943447 2.721755 4.785162 3.568855 9.181019 8.966106 7.102819 7.236978 10.250971 7.554005 7.651520 7.831173 6.181764 11.039470 11.357661 10.299999 0.000000 7.250569 8.715445 9.393321 9.346178 10.299605 2.187809 6.856852 10.338602 8.645765 6.912514 11.177124 11.196058 10.559156 1.092539 2.772155 3.486461 5.437256 8.975028 9.955235 2.724077 4.788456 3.578734 9.223139 9.077584 7.529078 7.250593 10.568637 8.013038 7.408806 7.455067 5.851713 11.967627 11.999068 11.399304 1.770412 0.000000 8.598911 10.045380 10.544052 10.385598 11.173968 2.177612 8.051337 11.420191 9.721304 8.448998 12.016834 12.130944 11.308987 1.094349 2.762432 2.761016 6.564194 9.899557 10.717077 3.408401 5.891867 4.525510 10.587048 10.481838 8.566938 8.478123 11.707506 9.226419 8.991396 9.016515 7.425603 12.702903 12.896336 12.043334 1.774354 1.774284 0.000000 8.269547 9.622392 10.201673 10.507824 11.321938 2.187449 7.291934 10.725035 10.294625 8.102099 11.787589 11.512164 11.865331 3.486717 1.092590 2.772243 6.004827 10.891746 11.671570 2.724545 4.785634 3.591832 9.794471 10.314603 7.833255 7.237872 10.693692 9.801847 8.963005 8.245121 7.193458 12.513060 12.040962 12.587046 4.338857 3.779241 3.767864 0.000000 7.934054 9.356643 10.120163 10.390467 11.357355 2.187463 7.229377 10.828208 9.980632 7.515500 11.987220 11.746168 11.865832 2.772017 1.092585 3.486716 5.916892 10.563818 11.506702 2.725474 4.788563 3.592110 9.589400 9.889141 7.946360 7.250989 10.825154 9.343796 8.233497 7.714704 6.500239 12.797308 12.387149 12.685981 3.778864 2.569028 3.112696 1.770543 0.000000 9.177456 10.601512 11.190711 11.326397 12.147461 2.177390 8.367952 11.861232 10.915434 8.944620 12.767184 12.635874 12.527386 2.762633 1.094291 2.761483 6.963098 11.347677 12.159720 3.409467 5.891805 4.535896 10.904641 11.185825 8.932547 8.478269 11.937364 10.393235 9.676215 9.230290 7.942135 13.480593 13.254861 13.257337 3.767893 3.113029 2.546580 1.773977 1.774055 0.000000 9.043519 10.401764 10.658345 10.555859 11.124220 2.177715 8.133904 11.281557 10.182729 9.196688 11.731767 11.806388 11.310143 2.760847 2.761892 1.094404 6.679745 10.399334 10.972015 3.408430 5.890133 4.526648 10.855396 11.057166 8.417957 8.463914 11.534735 9.887451 9.944933 9.669180 8.294822 12.291399 12.418503 11.895166 3.111266 3.766289 2.543526 3.113137 3.767033 2.544899 0.000000 7.666561 8.965280 9.086509 8.899517 9.400698 2.188052 6.757107 9.713087 8.558982 8.016977 10.020724 10.166990 9.556059 2.771512 3.486331 1.092477 5.329610 8.742967 9.250205 2.722180 4.783303 3.570654 9.492320 9.638730 6.920794 7.220412 10.051426 8.355866 8.762388 8.581639 7.212047 10.558656 10.806726 10.124577 2.568067 3.778782 3.111429 3.778925 4.339141 3.767070 1.774470 0.000000 8.120844 9.401329 9.610475 9.665671 10.206822 2.188176 7.020856 10.075208 9.508374 8.383794 10.647443 10.587186 10.560724 3.486344 2.771756 1.092492 5.671989 9.891854 10.417708 2.724142 4.784666 3.581098 9.740519 10.175325 7.236372 7.222017 10.239078 9.260495 9.256959 8.739647 7.586308 11.210072 11.105488 11.130157 3.778407 4.339341 3.766449 2.569049 3.779316 3.111244 1.774411 1.770242 0.000000 2.759645 4.050310 4.352474 4.349586 5.288445 4.891006 2.200833 5.248290 4.043926 3.417789 6.056258 6.041110 5.839436 5.142078 6.055328 5.426010 1.086624 4.746174 5.613207 3.615179 2.105336 2.702845 4.713065 4.678294 2.548591 3.101477 5.632905 3.665527 4.140246 4.178636 2.993233 6.907609 6.883050 6.720740 4.644326 5.162313 6.200329 6.256003 6.086838 6.982219 6.439453 4.962134 5.639319 0.000000 4.841373 4.990952 4.635603 3.415611 3.893530 9.125025 5.644929 5.827718 2.132938 5.617647 5.313252 6.120707 3.389847 8.719336 10.472041 9.507140 5.762676 1.084413 2.165037 8.194016 7.007739 7.542753 6.090054 4.734477 5.473608 6.695767 6.752041 2.454687 5.316507 6.641700 5.824584 5.917417 7.187806 4.292423 7.837263 8.657196 9.584116 10.917679 10.447602 11.214224 10.311052 8.719143 9.980516 4.967151 0.000000 6.425596 6.284892 5.343753 3.911804 3.415135 10.473854 6.915670 6.115029 3.399114 7.523555 4.608216 5.818941 2.136029 10.220484 11.916176 10.523759 7.140860 2.167574 1.084273 9.582405 8.405060 8.948438 7.294299 6.229109 6.364916 7.937046 7.185098 4.290303 7.383593 8.448850 7.828946 4.756215 6.736521 2.469036 9.260252 10.376248 11.026974 12.256633 12.076358 12.626529 11.310817 9.599548 10.884444 6.364380 2.488267 0.000000 3.836457 4.988090 5.685776 6.368769 7.351985 4.671311 2.727517 6.120249 6.483153 3.861221 7.673800 7.126213 8.270134 5.565837 5.113775 5.436984 2.097146 7.495209 8.338289 3.250653 1.089178 2.138944 4.981801 5.799971 3.440634 2.388718 5.948093 5.979565 4.923649 3.818723 3.380357 8.563754 7.662575 9.097743 5.666973 5.454008 6.583476 4.881590 4.983896 6.202906 6.474068 5.538583 5.225747 3.065823 7.828446 9.208694 0.000000 C21H25N 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 0 0 0 0 0 0 0 0 0 0 266.23139999999984 AuxInfo=1/0/N:2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;1;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/rA:47nN0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.9161,-1.5761,-1.0004;-2.3181,-1.9761,-.8352;-3.1177,-1.0661,.0723;-3.3164,.3153,-.2498;-4.1086,1.1257,.6276;5.8763,.6977,.2529;-.1807,-1.5569,.2673;-3.687,-1.5786,1.2184;-2.7661,.9218,-1.4119;-.2544,-2.3968,-2.0076;-4.6703,.5473,1.7962;-4.4643,-.7775,2.0857;-4.3191,2.493,.3081;5.939,1.4913,-1.0726;7.0412,-.3168,.3056;5.986,1.6751,1.4464;1.1106,-.805,.1501;-2.9941,2.2486,-1.6937;-3.7771,3.0448,-.8271;4.5978,-.0212,.3292;2.3106,-1.3102,.4701;3.5374,-.5981,.3891;-2.3952,-3.0118,-.4561;-2.7715,-1.9782,-1.8329;-.8123,-1.051,1.0045;.0025,-2.5797,.6493;-3.5337,-2.6247,1.463;-2.1337,.3323,-2.0611;-.7761,-2.3011,-2.9634;-.2313,-3.4685,-1.7332;.7746,-2.061,-2.1442;-5.2659,1.1707,2.4549;-4.8937,-1.2172,2.9789;-4.9201,3.0974,.9797;5.1226,2.2149,-1.1311;5.8634,.8203,-1.9315;6.8876,2.033,-1.1386;7.0159,-.8901,1.2354;6.9844,-1.0181,-.5302;7.9985,.2105,.2504;6.9351,2.2178,1.3977;5.1705,2.4019,1.4297;5.944,1.1359,2.3956;1.0319,.2147,-.2169;-2.5638,2.6915,-2.5851;-3.9455,4.0902,-1.06;2.3728,-2.3393,.8215; 0.4620904 0.1006294 0.0940400 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 NBasis= 1083 RedAO= T EigKep= 1.01D-06 NBF= 1083 NBsUse= 1077 1.00D-06 EigRej= 7.05D-07 NBFU= 1077 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= 1200 1200 1200 1200 1200 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 1 1 -870.249891722935 -870.275734394633 -0.025842671698 -870.301988558729 -0.026254164096 -870.302069530834 -0.000080972105 -870.302077440661 -0.000007909828 -870.302081554597 -0.000004113936 -870.302081678776 -0.000000124180 -870.302081708347 -0.000000029571 -870.302081711671 -0.000000003324 -870.302081711847 -0.000000000176 -870.302081711895 -0.000000000048 -870.302081711990 -0.000000000095 -870.302081712 12 8.658639392331e+02 -5.218968102504e+03 1.882218328542e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4243739790 LenY= 4242262350 Requested convergence on RMS density matrix=1.00D-08 within 128 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. PT34135.600S Fri Dec 9 02:07:51 2022 -14.31191 -10.20778 -10.20171 -10.19732 -10.18814 -10.18658 -10.18652 -10.18630 -10.18588 -10.17785 -10.17776 -10.17721 -10.17679 -10.17662 -10.17596 -10.17491 -10.17212 -10.16298 -10.16294 -10.16287 -10.16279 -10.16060 -0.93139 -0.87773 -0.83409 -0.82719 -0.80676 -0.78572 -0.74470 -0.74318 -0.73461 -0.69999 -0.69238 -0.69139 -0.69113 -0.63159 -0.62125 -0.61704 -0.59546 -0.57817 -0.56660 -0.51955 -0.51415 -0.50479 -0.49918 -0.48137 -0.47696 -0.47309 -0.45884 -0.44855 -0.44504 -0.44474 -0.43559 -0.42367 -0.42077 -0.40692 -0.39817 -0.39787 -0.39729 -0.39676 -0.38785 -0.37742 -0.37542 -0.37149 -0.36746 -0.36719 -0.35871 -0.34720 -0.34508 -0.34148 -0.33362 -0.33036 -0.31985 -0.28745 -0.26143 -0.25204 -0.23220 -0.22824 -0.21992 -0.05240 -0.02815 -0.02280 -0.00220 0.00159 0.00777 0.00964 0.01094 0.01799 0.02343 0.02515 0.02948 0.02997 0.03480 0.03774 0.04289 0.04642 0.04817 0.05262 0.05495 0.05550 0.05863 0.06049 0.06549 0.06658 0.06899 0.07105 0.07450 0.07887 0.08015 0.08231 0.08534 0.08601 0.09412 0.09778 0.09869 0.10200 0.10375 0.10469 0.11104 0.11547 0.11695 0.12052 0.12534 0.13000 0.13151 0.13446 0.13785 0.13966 0.14467 0.14780 0.14998 0.15237 0.15530 0.15806 0.15901 0.16082 0.16510 0.16609 0.17089 0.17230 0.17398 0.17754 0.17923 0.18192 0.18488 0.18551 0.18763 0.19222 0.19652 0.19832 0.20271 0.20395 0.20522 0.20832 0.20864 0.20954 0.21272 0.21423 0.21639 0.22009 0.22224 0.22571 0.22638 0.22948 0.23179 0.23304 0.23440 0.23717 0.23989 0.24233 0.24364 0.24509 0.24646 0.24800 0.24959 0.25054 0.25225 0.25703 0.26313 0.26792 0.26932 0.27171 0.27496 0.27775 0.28037 0.28084 0.28582 0.28773 0.29155 0.29279 0.29536 0.30314 0.30598 0.30719 0.31021 0.31558 0.31815 0.32094 0.32564 0.32918 0.33224 0.33715 0.34113 0.34447 0.34525 0.34874 0.35398 0.35982 0.36119 0.36368 0.36656 0.37090 0.37367 0.37557 0.38419 0.38601 0.38894 0.39133 0.39643 0.40256 0.40314 0.40827 0.41196 0.41565 0.42142 0.42684 0.42894 0.43506 0.43857 0.44264 0.44425 0.44850 0.45051 0.45331 0.45665 0.46140 0.46530 0.46678 0.46824 0.47226 0.47329 0.47837 0.48136 0.48384 0.48993 0.49126 0.49673 0.49727 0.50612 0.50828 0.51425 0.51661 0.52015 0.52160 0.52240 0.52726 0.52888 0.53172 0.53497 0.53679 0.54153 0.54499 0.54630 0.55084 0.55872 0.56179 0.56402 0.56839 0.57014 0.57094 0.57660 0.57917 0.58044 0.58104 0.58642 0.58958 0.59184 0.59551 0.59703 0.60611 0.60753 0.61002 0.61511 0.61708 0.61867 0.62072 0.62215 0.62885 0.63088 0.63800 0.63930 0.64369 0.64433 0.64658 0.65423 0.66133 0.66210 0.66429 0.66918 0.67099 0.67711 0.68123 0.68863 0.68902 0.69514 0.69763 0.69979 0.70130 0.70640 0.70685 0.70867 0.71461 0.72039 0.72173 0.73116 0.73404 0.74103 0.74892 0.75262 0.75515 0.76060 0.76172 0.76709 0.77004 0.77127 0.77642 0.77912 0.78257 0.78464 0.78904 0.78969 0.79527 0.80145 0.80483 0.80783 0.81325 0.81737 0.82559 0.82938 0.83353 0.84402 0.84891 0.85097 0.86036 0.86092 0.86545 0.87280 0.87700 0.88236 0.89286 0.89947 0.91011 0.91717 0.91820 0.92671 0.92757 0.93433 0.93744 0.94213 0.95143 0.95678 0.96490 0.97180 0.97418 0.97775 0.98490 0.99582 0.99703 0.99829 1.00082 1.01027 1.01087 1.01787 1.02556 1.03374 1.03413 1.04080 1.04320 1.04489 1.05280 1.05941 1.06437 1.07242 1.07592 1.07997 1.08553 1.08693 1.09332 1.09576 1.10017 1.10372 1.10452 1.11604 1.12480 1.12804 1.13120 1.13744 1.14036 1.14373 1.14803 1.15260 1.15646 1.16426 1.16565 1.16702 1.17645 1.17883 1.18211 1.19277 1.19327 1.19506 1.20065 1.20141 1.20455 1.21108 1.21192 1.21622 1.21815 1.22286 1.22471 1.22988 1.23343 1.23637 1.24210 1.24391 1.24853 1.25349 1.26365 1.26692 1.26973 1.27314 1.27973 1.28216 1.28573 1.29294 1.29731 1.30268 1.30805 1.31494 1.32082 1.32336 1.32670 1.33118 1.33569 1.33935 1.34087 1.34481 1.34552 1.35046 1.35632 1.36503 1.36753 1.37154 1.37345 1.37806 1.38545 1.38958 1.39555 1.39679 1.39834 1.40541 1.41033 1.41780 1.42156 1.42458 1.43779 1.43992 1.44204 1.44812 1.45670 1.45813 1.46216 1.46406 1.46821 1.47269 1.47487 1.47701 1.48015 1.49221 1.49581 1.50284 1.50593 1.51071 1.52020 1.52059 1.52215 1.52326 1.52635 1.52962 1.53618 1.54803 1.55380 1.55826 1.55903 1.56666 1.57024 1.57679 1.58197 1.59617 1.59988 1.60425 1.60992 1.61611 1.61813 1.62162 1.62825 1.63902 1.64318 1.65564 1.66068 1.66312 1.67472 1.68387 1.68500 1.69252 1.70606 1.71035 1.71447 1.74270 1.75289 1.75872 1.76831 1.77551 1.77994 1.78536 1.78726 1.79828 1.79996 1.80987 1.82022 1.83569 1.83940 1.84506 1.85460 1.86074 1.86544 1.87966 1.88331 1.89301 1.89468 1.90406 1.91754 1.91816 1.93072 1.95282 1.95802 1.96209 1.96920 1.97265 1.97667 1.98513 1.99403 2.00539 2.01068 2.01622 2.02174 2.02820 2.04684 2.05115 2.05677 2.06150 2.07549 2.08005 2.08700 2.09513 2.10077 2.10124 2.10923 2.11328 2.12565 2.13364 2.13747 2.14757 2.15306 2.15619 2.17330 2.17700 2.17873 2.19647 2.19906 2.21056 2.23414 2.23706 2.25765 2.26530 2.27717 2.30245 2.30949 2.31663 2.32473 2.32790 2.33674 2.34911 2.37255 2.39076 2.39994 2.40133 2.41308 2.42925 2.43357 2.44557 2.45126 2.46185 2.47987 2.48536 2.51580 2.52942 2.54700 2.55325 2.55837 2.57083 2.58350 2.60367 2.63488 2.63787 2.64640 2.65617 2.66216 2.67053 2.67621 2.69294 2.71192 2.71368 2.72004 2.72602 2.73729 2.74669 2.75498 2.76237 2.76982 2.78852 2.78934 2.80030 2.80205 2.80573 2.81145 2.82362 2.82890 2.83043 2.83926 2.84324 2.85295 2.85605 2.86049 2.86467 2.87953 2.88464 2.88844 2.89075 2.89705 2.90197 2.90520 2.90733 2.91377 2.91525 2.92114 2.92647 2.92667 2.93932 2.95026 2.95139 2.95970 2.96324 2.96412 2.97258 2.98149 2.98258 2.99660 3.00419 3.01253 3.01570 3.02265 3.02574 3.03224 3.03495 3.04126 3.05193 3.05911 3.06255 3.07036 3.07973 3.08762 3.09006 3.10512 3.11312 3.11474 3.11841 3.12504 3.13116 3.14042 3.14506 3.15455 3.16180 3.16619 3.16776 3.17372 3.18267 3.18917 3.19492 3.19867 3.20579 3.21438 3.21632 3.22284 3.23523 3.24188 3.24603 3.25137 3.25415 3.26915 3.27247 3.27469 3.27919 3.28664 3.29630 3.29821 3.30339 3.31110 3.31287 3.31684 3.32627 3.33195 3.33930 3.34993 3.36050 3.36648 3.37084 3.37932 3.38711 3.39339 3.40051 3.40701 3.41137 3.41672 3.42570 3.43006 3.43758 3.44570 3.45459 3.46065 3.47084 3.47799 3.48759 3.49290 3.51174 3.51517 3.52855 3.53970 3.54433 3.54557 3.55491 3.56068 3.56380 3.57649 3.58596 3.59166 3.59909 3.62290 3.63079 3.64288 3.64942 3.65755 3.66415 3.68234 3.68922 3.70178 3.70966 3.72491 3.73224 3.74107 3.74278 3.76585 3.77348 3.78518 3.79142 3.80198 3.81287 3.81451 3.81755 3.83052 3.84301 3.84573 3.86051 3.86517 3.88370 3.89112 3.89676 3.90443 3.91436 3.92894 3.93042 3.95777 3.96107 3.96953 3.97176 3.97374 3.99406 4.01267 4.04058 4.05122 4.05153 4.06147 4.08560 4.11572 4.13134 4.13380 4.13835 4.16227 4.17045 4.17867 4.18827 4.20343 4.21248 4.21693 4.22457 4.24291 4.26208 4.26638 4.27176 4.27277 4.28382 4.29018 4.30392 4.30698 4.31465 4.32079 4.32212 4.33331 4.33492 4.34466 4.34527 4.35133 4.35245 4.35529 4.36388 4.36784 4.37910 4.38129 4.38746 4.39931 4.40800 4.41491 4.42645 4.42945 4.44062 4.45030 4.46132 4.46991 4.47318 4.47867 4.48765 4.49500 4.50104 4.50464 4.51945 4.52928 4.53473 4.54095 4.54842 4.56239 4.57124 4.58097 4.58409 4.58734 4.59025 4.59575 4.59873 4.60918 4.62226 4.63211 4.64558 4.65965 4.66418 4.67850 4.68602 4.70267 4.70785 4.71593 4.73771 4.74873 4.75167 4.75679 4.76044 4.76951 4.77581 4.79416 4.80327 4.80916 4.82742 4.84782 4.85615 4.88767 4.91220 4.94018 4.95810 4.98454 4.98647 5.01167 5.01606 5.02459 5.04985 5.06176 5.09167 5.10813 5.16385 5.22803 5.29207 5.33180 5.35093 5.39259 5.44983 5.45199 5.46337 5.50100 5.53404 5.65182 5.65468 5.78184 5.78356 5.79709 5.80355 5.80795 5.82005 5.82575 5.84421 5.85884 5.87333 5.87744 5.89582 5.89999 5.90824 5.92084 5.94057 5.95823 5.96418 6.00722 6.01792 6.05305 6.11782 6.15759 6.20200 6.23180 6.45541 6.56323 6.60873 7.04707 7.07005 7.08744 7.10317 7.13177 7.14907 7.15728 7.15857 7.17274 7.19057 7.20323 7.21700 7.22132 7.25720 7.25811 7.26012 7.26459 7.27613 7.28514 7.28972 7.30759 7.30967 7.31117 7.31898 7.32134 7.33242 7.34456 7.36400 7.38043 7.40426 7.41281 7.41851 7.44881 7.45488 7.46399 7.47199 7.48076 7.50299 7.50873 7.51555 7.53108 7.53450 7.53701 7.56771 7.57786 7.58581 7.60393 7.61197 7.61789 7.64782 7.65806 7.66107 7.66986 7.68082 7.69060 7.72615 7.74288 7.78735 7.80502 7.84210 7.86696 7.86907 7.87663 7.89355 7.92245 7.92363 7.93246 7.94413 7.96161 7.96790 7.98413 7.99175 8.01201 8.01783 8.02298 8.02934 8.04307 8.08269 8.16346 8.16969 8.19811 8.21528 8.22168 8.23787 8.24651 8.27935 8.29636 8.31993 8.34672 8.35595 8.35789 8.41808 8.45470 8.46943 8.48484 8.49780 8.51274 8.55332 8.64882 8.71617 8.71961 8.73892 9.01993 9.33073 9.44029 10.65077 10.67307 10.79071 11.32919 11.38206 23.95110 24.06374 24.37580 24.37806 24.38073 24.38458 24.40592 24.47690 24.48934 24.71981 24.74729 24.84462 24.95147 25.11540 25.28187 25.43809 25.46822 25.69615 25.76249 25.82015 27.14562 36.04551 1-A. Mulliken charges: 1 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 N C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H -0.462410 -0.186923 0.643265 -0.060258 0.467477 -0.550230 -0.318699 -0.316605 -0.291096 -0.216502 -0.167626 -0.308322 -0.143731 -0.374881 -0.424376 -0.364328 -0.370517 -0.248326 -0.388245 -0.071301 0.081616 0.458411 0.109805 0.155278 0.228022 0.118821 0.122623 0.170915 0.137855 0.128611 0.169155 0.126278 0.132881 0.124886 0.149685 0.148264 0.143091 0.153695 0.151282 0.142966 0.143624 0.149706 0.150049 0.144169 0.129709 0.132005 0.150234 -0.00000 0.2958 -0.2113 -0.0500 0.3669 -128.8451 -126.8924 -131.7686 1.8740 -4.6142 -1.0639 0.3236 2.2763 -2.5999 1.8740 -4.6142 -1.0639 97.5369 6.2417 -7.0912 -17.8625 33.5205 32.7138 -14.9280 -3.6257 -2.5089 -1.2346 -12989.2074 -2182.9021 -1228.9769 93.9641 -178.5147 -57.2213 -33.4489 -35.4704 -0.9610 -2495.8462 -2372.8868 -562.0315 28.2152 -5.2808 2.7069 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-DEPAZ13 APULGAR 2022-12-09T00:00:00.000 0 Single Point terbinafine CONF32 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-870.3020817 RMSD=2.498e-09 Dipole=0.0391994,-0.1351316,-0.0323158 Quadrupole=-0.0117728,-0.1193912,0.1311641,1.4839766,-3.807911,0.9728634 PG=C01 [X(C21H25N1)] 0 -1.8152297808 -0.8021360917 -0.5209619804 0 -3.0881908849 -0.3160709984 0.0234307574 0 -2.9526663092 0.8862201003 0.9329112672 0 -2.4284112655 2.1281020534 0.4485826792 0 -2.3510142024 3.2449857423 1.3433471475 0 5.1131454363 -2.8895612652 -1.2402615982 0 -0.8750015669 -1.2165373184 0.5242449101 0 -3.3627438485 0.7951423986 2.2458477618 0 -1.9853391324 2.3068764094 -0.8903506982 0 -2.036751387 -1.8514314195 -1.5087446848 0 -2.7856798573 3.0956843559 2.6866392616 0 -3.2816655894 1.8958170771 3.1290186628 0 -1.8432386798 4.4821474599 0.8665124834 0 5.2336229396 -2.2751927955 -2.6539545702 0 5.4735731762 -4.3915681135 -1.294979219 0 6.0772094726 -2.1601598755 -0.2757030667 0 0.5207769175 -1.3517785979 -0.0048402142 0 -1.5031418001 3.5210893113 -1.3205266936 0 -1.4295231881 4.621109821 -0.4359773984 0 3.7343424258 -2.7346250876 -0.7585921069 0 1.2671097135 -2.4599256156 0.1076409834 0 2.6005276612 -2.5903530367 -0.3654759177 0 -3.619437324 -1.1164862515 0.5705420892 0 -3.7228736823 -0.0520320959 -0.8300494897 0 -0.880866207 -0.4403906018 1.2962688874 0 -1.1948133835 -2.1573053535 1.0123311712 0 -3.7573258228 -0.1469563841 2.6125455479 0 -2.0007669276 1.4619250704 -1.5646180328 0 -2.6586537324 -1.4682436892 -2.3219779805 0 -2.5389984533 -2.7389937198 -1.0794211269 0 -1.0832423771 -2.1737232396 -1.9297730542 0 -2.7198513201 3.9469764303 3.3562194839 0 -3.6126143391 1.783711836 4.1553229993 0 -1.7886744056 5.321042594 1.552745072 0 4.9820343794 -1.2121528609 -2.6382973588 0 4.5604916707 -2.775597965 -3.3540484481 0 6.2586476922 -2.3833036464 -3.0216999078 0 5.3944208103 -4.8468446622 -0.3049235434 0 4.8046412983 -4.9276496094 -1.9723929057 0 6.5004027244 -4.5165202809 -1.6520252922 0 7.1080930014 -2.2678483617 -0.6269900673 0 5.839835741 -1.0952102251 -0.2205569219 0 6.0094665823 -2.5779997147 0.7314510465 0 0.9247816825 -0.474081851 -0.5020127738 0 -1.1693119293 3.6353371294 -2.3459321055 0 -1.0438868511 5.5714061486 -0.7879274823 0 0.8407308516 -3.3356381141 0.5951214691