Gaussian 98 g16 GINC-HALL76 ROOT opt Dimer -> Freq -> Monoanion ES64L-G16RevC.01 101 101 182 183 1175 (6D, 7F) 6-31+G(d,p) UwB97XD 6-31+G(d,p) FOpt # UwB97XD/6-31+g(d,p) opt 622.2663999999997 -1 2 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;20;21;22;23;24;25;28;29;31;32;34;35;36;37;38;40;41;42;43;44;45;48;50;51;52;53;55;56;58;59;19;60;61;62;63;13;14;15;16;17;18;26;27;30;33;39;46;47;49;54;57;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/rA:101nC0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0B0C0C0C0C0C0C0H0H0C0C0H0C0C0H0C0C0C0C0C0H0C0C0C0C0C0C0H0H0C0H0C0C0C0C0H0C0C0H0C0C0B0S0S0S0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.2633,.7546,-.1648;.7046,-.477,-.4672;-.7046,-.477,-.4672;-1.2633,.7546,-.1648;-3.4666,2.3987,.0945;-4.8036,2.5955,.3925;-5.1966,3.9556,.4426;-4.1511,4.7999,.171;4.1511,4.7999,.171;5.1966,3.9556,.4426;4.8036,2.5955,.3925;3.4666,2.3987,.0945;1.3169,-1.3507,-.6623;-1.3169,-1.3507,-.6624;-5.4739,1.7614,.5699;-6.2006,4.2969,.6632;6.2006,4.2969,.6632;5.4739,1.7614,.5699;2.7893,1.0143,-.021;3.7199,-.2626,.0295;4.3751,-.7155,-1.1283;3.8813,-.9635,1.2348;5.1809,-1.8514,-1.0633;4.6945,-2.0985,1.2666;5.3537,-2.5579,.1281;5.6849,-2.1973,-1.9635;4.8204,-2.6437,2.2002;3.1721,-.4953,2.4985;4.1583,-.185,3.6309;2.6551,.4448,2.2647;2.0984,-1.496,2.9436;4.1972,.0183,-2.4504;3.5016,.8508,-2.2816;5.5151,.6309,-2.939;3.5631,-.8807,-3.5191;6.2325,-3.7948,.1848;5.695,-4.9119,-.7199;7.6929,-3.4668,-.1536;6.206,-4.1632,1.2183;-3.7199,-.2626,.0295;-3.8812,-.9635,1.2349;-4.3753,-.7155,-1.1282;-4.6944,-2.0985,1.2667;-5.181,-1.8514,-1.0632;-5.3536,-2.5579,.1282;-4.8201,-2.6437,2.2003;-5.6852,-2.1973,-1.9633;-3.1717,-.4954,2.4984;-2.6549,.4447,2.2646;-4.1579,-.1851,3.631;-2.098,-1.4961,2.9434;-4.1975,.0184,-2.4504;-5.5155,.631,-2.9387;-3.5018,.8509,-2.2816;-3.5635,-.8806,-3.5192;-6.2324,-3.7948,.185;-6.2058,-4.1633,1.2185;-7.6929,-3.4669,-.1532;-5.695,-4.9119,-.7198;-2.7893,1.0143,-.021;2.7003,3.9449,-.1356;-2.7003,3.9449,-.1356;0,1.903,.1098;-3.3834,-.3156,-4.4397;-4.2165,-1.7248,-3.7663;-2.6072,-1.2847,-3.173;-5.3607,1.191,-3.867;-5.9267,1.3152,-2.1902;-6.2626,-.1462,-3.1342;-1.3666,-1.6613,2.1464;-2.5444,-2.4631,3.2005;-1.5643,-1.1245,3.8246;-4.9015,.5512,3.3107;-3.6285,.2178,4.5007;-4.6917,-1.0858,3.9529;-5.7191,-4.6102,-1.7728;-6.3022,-5.8177,-.6178;-4.6601,-5.1599,-.4661;-7.7873,-3.1139,-1.1862;-8.083,-2.6846,.5049;-8.3238,-4.3556,-.045;5.7189,-4.6103,-1.773;4.66,-5.1599,-.4661;6.3021,-5.8177,-.6179;7.7871,-3.1139,-1.1866;8.3238,-4.3556,-.0454;8.0831,-2.6846,.5044;5.3602,1.1909,-3.8673;6.2622,-.1464,-3.1346;5.9264,1.3151,-2.1906;3.3828,-.3157,-4.4396;2.6067,-1.2847,-3.1728;4.216,-1.7249,-3.7663;1.3669,-1.6613,2.1467;1.5648,-1.1244,3.8249;2.5448,-2.463,3.2007;4.9019,.5514,3.3104;4.6922,-1.0856,3.9528;3.6291,.218,4.5007;-4.1686,5.8809,.1312;4.1686,5.8809,.1312; g16 /SW/g16.c01_avx2/l1.exe "/tmp/88000.1.smp/Gau-29211.inp" -scrdir="/tmp/88000.1.smp/" opt Dimer -> Freq -> Monoanion 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 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88 R89 R90 R91 R92 R93 R94 R95 R96 R97 R98 R99 R100 R101 R102 R103 R104 R105 1 1 1 2 2 3 3 4 4 5 5 5 6 6 7 7 8 8 9 9 9 10 10 11 11 12 12 19 20 20 21 21 22 22 23 23 24 24 25 28 28 28 29 29 29 31 31 31 32 32 32 34 34 34 35 35 35 36 36 36 37 37 37 38 38 38 40 40 40 41 41 42 42 43 43 44 44 45 48 48 48 50 50 50 51 51 51 52 52 52 53 53 53 55 55 55 56 56 56 58 58 58 59 59 59 2 19 63 3 13 4 14 60 63 6 60 62 7 15 8 16 62 100 10 61 101 11 17 12 18 19 61 20 21 22 23 32 24 28 25 26 25 27 36 29 30 31 97 98 99 94 95 96 33 34 35 88 89 90 91 92 93 37 38 39 82 83 84 85 86 87 41 42 60 43 48 44 52 45 46 45 47 56 49 50 51 73 74 75 70 71 72 53 54 55 67 68 69 64 65 66 57 58 59 79 80 81 76 77 78 1.3858 1.5545 1.7292 1.4093 1.0846 1.3858 1.0846 1.5545 1.7292 1.3839 1.5456 1.7409 1.4167 1.0847 1.371 1.0831 1.7118 1.0819 1.371 1.7118 1.0819 1.4167 1.0831 1.3839 1.0847 1.5456 1.7409 1.5809 1.4053 1.4036 1.3942 1.5226 1.3966 1.5229 1.3958 1.0881 1.3935 1.0884 1.5184 1.5335 1.098 1.5337 1.0944 1.0954 1.095 1.0942 1.0952 1.0957 1.0979 1.5333 1.5338 1.0951 1.0957 1.0943 1.095 1.0944 1.0955 1.5347 1.5346 1.0975 1.0957 1.0941 1.0952 1.0957 1.0952 1.0941 1.4036 1.4053 1.5809 1.3966 1.5229 1.3942 1.5226 1.3935 1.0884 1.3958 1.0881 1.5184 1.098 1.5335 1.5338 1.0944 1.095 1.0954 1.0942 1.0957 1.0952 1.5333 1.0979 1.5338 1.0951 1.0943 1.0957 1.095 1.0955 1.0944 1.0975 1.5346 1.5347 1.0957 1.0941 1.0952 1.0957 1.0952 1.0941 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 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 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 A157 A158 A159 A160 A161 A162 A163 A164 A165 A166 A167 A168 A169 A170 A171 A172 A173 A174 A175 A176 A177 A178 A179 A180 A181 A182 A183 A184 A185 A186 A187 A188 A189 2 2 19 1 1 3 2 2 4 3 3 60 6 6 60 5 5 7 6 6 8 7 7 62 10 10 61 9 9 11 10 10 12 11 11 19 1 1 12 19 19 21 20 20 23 20 20 24 21 21 25 22 22 25 23 23 24 22 22 22 29 29 30 28 28 28 97 97 98 28 28 28 94 94 95 21 21 21 33 33 34 32 32 32 88 88 89 32 32 32 91 91 92 25 25 25 37 37 38 36 36 36 82 82 83 36 36 36 85 85 86 41 41 42 40 40 43 40 40 44 41 41 45 42 42 45 43 43 44 41 41 41 49 49 50 48 48 48 73 73 74 48 48 48 70 70 71 42 42 42 53 53 54 52 52 52 67 67 68 52 52 52 64 64 65 45 45 45 57 57 58 56 56 56 79 79 80 56 56 56 76 76 77 4 4 5 9 5 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 28 28 28 28 28 28 29 29 29 29 29 29 31 31 31 31 31 31 32 32 32 32 32 32 34 34 34 34 34 34 35 35 35 35 35 35 36 36 36 36 36 36 37 37 37 37 37 37 38 38 38 38 38 38 40 40 40 41 41 41 42 42 42 43 43 43 44 44 44 45 45 45 48 48 48 48 48 48 50 50 50 50 50 50 51 51 51 51 51 51 52 52 52 52 52 52 53 53 53 53 53 53 55 55 55 55 55 55 56 56 56 56 56 56 58 58 58 58 58 58 59 59 59 59 59 59 60 60 60 61 62 63 19 63 63 3 13 13 4 14 14 60 63 63 60 62 62 7 15 15 8 16 16 62 100 100 61 101 101 11 17 17 12 18 18 19 61 61 12 20 20 21 22 22 23 32 32 24 28 28 25 26 26 25 27 27 24 36 36 29 30 31 30 31 31 97 98 99 98 99 99 94 95 96 95 96 96 33 34 35 34 35 35 88 89 90 89 90 90 91 92 93 92 93 93 37 38 39 38 39 39 82 83 84 83 84 84 85 86 87 86 87 87 42 60 60 43 48 48 44 52 52 45 46 46 45 47 47 44 56 56 49 50 51 50 51 51 73 74 75 74 75 75 70 71 72 71 72 72 53 54 55 54 55 55 67 68 69 68 69 69 64 65 66 65 66 66 57 58 59 58 59 59 79 80 81 80 81 81 76 77 78 77 78 78 5 40 40 12 8 4 124.3575 109.2887 126.2664 113.7742 121.8451 124.3695 113.7742 124.3695 121.8451 124.3576 109.2887 126.2662 124.5319 109.1152 126.3512 114.3417 121.5308 124.1275 111.8797 124.5332 123.5865 111.9762 127.6119 120.4107 111.9762 127.6119 120.4106 111.8797 123.5865 124.5332 114.3417 124.1275 121.5308 124.5318 109.1152 126.3513 125.9248 116.4827 117.5874 120.5634 119.8982 119.5326 119.5797 120.3722 120.045 119.4943 120.3622 120.143 121.5807 119.2201 119.1989 121.6506 119.5978 118.7515 118.1615 121.0538 120.7845 112.0521 107.8068 111.4855 106.6652 111.5905 106.9089 110.9085 111.3481 110.5001 107.9454 108.2658 107.7457 110.8025 110.682 111.0204 108.1555 108.0587 108.007 107.8171 111.6417 111.7699 106.897 106.8354 111.5633 110.6599 111.0749 110.7879 107.9323 108.2482 108.0222 110.5695 110.9258 111.2532 108.2194 107.8238 107.9222 111.6067 111.6208 107.1393 111.0316 107.5971 107.598 111.0119 111.0722 110.6683 107.8172 107.7597 108.3836 111.0129 110.6686 111.0716 107.7556 107.8206 108.3835 119.5326 119.8982 120.5634 119.4943 120.3621 120.1432 119.5798 120.3721 120.045 121.6506 119.5979 118.7514 121.5807 119.2202 119.1989 118.1615 120.7846 121.0538 107.8068 112.0522 111.4854 106.6652 106.9088 111.5905 110.9085 110.5001 111.3481 108.2658 107.9455 107.7457 110.8025 111.0202 110.682 108.0587 108.1556 108.007 111.6414 107.8171 111.7702 106.897 111.5634 106.8354 110.66 110.7879 111.0748 108.2482 107.9324 108.0222 110.5695 111.2534 110.9258 107.8237 108.2194 107.9222 107.1393 111.6207 111.6068 107.598 107.5971 111.0316 111.0129 111.0717 110.6687 107.8206 107.7556 108.3835 111.0119 110.6684 111.0722 107.7597 107.8172 108.3835 125.9245 116.4827 117.5875 92.6857 92.6856 93.8728 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|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 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 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 19 19 63 63 2 2 63 63 2 19 1 1 13 13 2 2 14 14 3 3 63 63 3 60 60 60 62 62 6 6 62 62 6 60 5 5 15 15 6 6 16 16 7 100 61 61 101 101 10 101 9 9 17 17 10 10 18 18 11 11 61 61 11 19 1 1 12 12 19 19 22 22 19 19 21 21 20 20 32 32 20 20 20 23 23 23 20 20 28 28 20 20 20 24 24 24 21 21 26 26 22 22 27 27 23 23 23 24 24 24 22 22 22 30 30 30 31 31 31 22 22 22 29 29 29 30 30 30 21 21 21 33 33 33 35 35 35 21 21 21 33 33 33 34 34 34 25 25 25 38 38 38 39 39 39 25 25 25 37 37 37 39 39 39 42 42 60 60 41 41 60 60 41 41 42 42 40 40 48 48 40 40 40 43 43 43 40 40 52 52 40 40 40 44 44 44 41 41 46 46 42 42 47 47 43 43 43 44 44 44 41 41 41 49 49 49 51 51 51 41 41 41 49 49 49 50 50 50 42 42 42 54 54 54 55 55 55 42 42 42 53 53 53 54 54 54 45 45 45 57 57 57 59 59 59 45 45 45 57 57 57 58 58 58 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 6 6 6 6 7 7 7 7 8 8 9 9 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 12 12 19 19 19 19 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 21 21 22 22 22 22 22 22 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 25 25 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 32 32 32 32 32 32 32 32 32 32 32 32 32 32 32 32 32 32 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 40 40 40 40 40 40 40 40 40 40 40 40 41 41 41 41 41 41 41 41 41 41 42 42 42 42 42 42 42 42 42 42 43 43 43 43 44 44 44 44 45 45 45 45 45 45 48 48 48 48 48 48 48 48 48 48 48 48 48 48 48 48 48 48 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 2 2 2 2 19 19 19 19 63 63 3 3 3 3 4 4 4 4 60 60 60 60 63 63 6 6 6 6 60 60 60 60 62 62 7 7 7 7 8 8 8 8 62 62 10 10 10 10 61 61 11 11 11 11 12 12 12 12 19 19 19 19 61 61 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 32 32 32 32 32 32 24 24 24 24 28 28 28 28 28 28 25 25 25 25 25 25 25 25 36 36 36 36 36 36 29 29 29 29 29 29 29 29 29 31 31 31 31 31 31 31 31 31 34 34 34 34 34 34 34 34 34 35 35 35 35 35 35 35 35 35 37 37 37 37 37 37 37 37 37 38 38 38 38 38 38 38 38 38 41 41 41 41 42 42 42 42 60 60 60 60 43 43 43 43 48 48 48 48 48 48 44 44 44 44 52 52 52 52 52 52 45 45 45 45 45 45 45 45 56 56 56 56 56 56 50 50 50 50 50 50 50 50 50 51 51 51 51 51 51 51 51 51 53 53 53 53 53 53 53 53 53 55 55 55 55 55 55 55 55 55 58 58 58 58 58 58 58 58 58 59 59 59 59 59 59 59 59 59 3 13 3 13 12 20 12 20 4 4 4 14 4 14 60 63 60 63 5 40 5 40 1 1 7 15 7 15 4 40 4 40 8 8 8 16 8 16 62 100 62 100 5 5 11 17 11 17 12 12 12 18 12 18 19 61 19 61 1 20 1 20 9 9 21 22 21 22 23 32 23 32 24 28 24 28 25 26 25 26 33 34 35 33 34 35 25 27 25 27 29 30 31 29 30 31 24 36 24 36 23 36 23 36 37 38 39 37 38 39 97 98 99 97 98 99 97 98 99 94 95 96 94 95 96 94 95 96 88 89 90 88 89 90 88 89 90 91 92 93 91 92 93 91 92 93 82 83 84 82 83 84 82 83 84 85 86 87 85 86 87 85 86 87 43 48 43 48 44 52 44 52 4 5 4 5 45 46 45 46 49 50 51 49 50 51 45 47 45 47 53 54 55 53 54 55 44 56 44 56 43 56 43 56 57 58 59 57 58 59 73 74 75 73 74 75 73 74 75 70 71 72 70 71 72 70 71 72 67 68 69 67 68 69 67 68 69 64 65 66 64 65 66 64 65 66 79 80 81 79 80 81 79 80 81 76 77 78 76 77 78 76 77 78 176.5278 -2.3043 -0.2527 -179.0849 169.8027 -11.0522 -13.9669 165.1782 0.3387 -176.3649 0.0001 -178.7979 178.7982 0.0002 -176.5279 0.2526 2.3041 179.0846 -169.8044 11.0561 13.9652 -165.1743 -0.3386 176.3649 -179.9302 0.1382 -0.3905 179.6779 -171.2987 7.8322 9.2413 -171.6277 0.1996 179.7288 0.4317 -179.8478 -179.6387 0.0819 -0.2639 179.3289 -179.9875 -0.3947 0.0381 -179.5879 0.2636 179.9875 -179.3294 0.3946 -0.0378 179.5883 -0.4315 179.6391 179.8477 -0.0817 179.9304 0.3905 -0.1382 -179.678 171.3011 -7.8355 -9.2387 171.6247 -0.1998 -179.7292 97.5198 -81.5981 -83.2613 97.6209 -179.3841 -0.0225 -0.263 179.0986 179.3372 -0.4257 0.2101 -179.5527 0.144 179.9545 -179.2197 0.5908 -1.403 115.7242 -118.5278 177.9556 -64.9172 60.8309 -0.036 -179.9635 179.7274 -0.2002 -121.4514 -4.3804 112.667 58.7873 175.8583 -67.0943 0.0294 179.9079 -179.7811 0.0974 -0.084 -179.9628 179.8441 -0.0347 -62.4817 62.422 179.9746 117.3936 -117.7027 -0.1501 55.806 -64.4222 175.8748 -61.9479 177.8239 58.1209 -178.3697 61.4021 -58.3009 -57.3381 -177.3188 62.744 176.5261 56.5453 -63.3919 60.2526 -59.7281 -179.6653 -177.5367 62.5987 -57.4638 -59.8548 -179.7193 60.2182 56.6015 -63.263 176.6745 176.2255 56.1578 -63.9893 58.5103 -61.5573 178.2955 -57.9834 -178.0511 61.8018 64.0672 -55.8842 -176.3205 -61.1641 178.8844 58.4481 -178.6652 61.3833 -59.053 -64.0342 176.3578 55.9218 61.1892 -58.4187 -178.8547 178.6898 59.0819 -61.3542 -0.2101 179.552 -179.3369 0.4252 0.2632 -179.0992 179.384 0.0217 81.5889 -97.6248 -97.5287 83.2575 0.0357 179.9633 -179.7269 0.2007 4.3823 121.4534 -112.6649 -175.8571 -58.786 67.0956 -0.1442 -179.9548 179.2203 -0.5904 -115.7214 1.4056 118.5305 64.9192 -177.9537 -60.8289 0.0843 179.963 -179.8439 0.0349 -0.0295 -179.9079 179.7813 -0.0972 0.15 117.7025 -117.3937 -179.9747 -62.4222 62.4815 -55.8058 -175.8745 64.4225 61.9482 -58.1205 -177.8235 178.37 58.3012 -61.4018 57.3381 -62.7438 177.319 -60.2525 179.6655 59.7284 -176.5258 63.3922 -56.545 177.5371 57.4641 -62.5983 59.8554 -60.2176 179.72 -56.6009 -176.6739 63.2637 -176.2249 63.99 -56.1573 57.9841 -61.801 178.0518 -58.5097 -178.2948 61.5579 64.0342 -55.9218 -176.3579 -178.6899 61.3542 -59.082 -61.1893 178.8547 58.4186 -64.0673 176.3204 55.8841 178.6651 59.0529 -61.3835 61.1641 -58.4482 -178.8845 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|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|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 1175 A 1175 A 1954 1175 6551.3059341912 101 1.00e+00 60 T Berny optimization. local minimum Step number 19 out of a maximum of 568 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00091 0.00202 0.00307 0.00307 0.00308 0.00308 0.00315 0.00319 0.00319 0.00320 0.00323 0.00326 0.00329 0.00356 0.00426 0.00446 0.00467 0.00482 0.00520 0.00523 0.00684 0.00798 0.00919 0.01032 0.01160 0.01311 0.01330 0.01384 0.01395 0.01400 0.01409 0.01420 0.01456 0.01509 0.01558 0.01623 0.01710 0.01736 0.01989 0.02033 0.02035 0.02044 0.02081 0.02084 0.02093 0.02116 0.02126 0.02133 0.02146 0.02151 0.02152 0.02155 0.02159 0.02161 0.02162 0.02207 0.02269 0.02270 0.02540 0.02943 0.03460 0.03612 0.03623 0.03641 0.03678 0.03706 0.03725 0.03955 0.04854 0.04854 0.04869 0.04872 0.04900 0.04952 0.05396 0.05414 0.05443 0.05446 0.05482 0.05484 0.05484 0.05484 0.05495 0.05511 0.05514 0.05520 0.05526 0.05528 0.05528 0.05531 0.05556 0.05567 0.05568 0.05570 0.05571 0.05573 0.05579 0.05584 0.05704 0.05704 0.05733 0.05757 0.05771 0.05864 0.14443 0.14701 0.14864 0.15861 0.15903 0.15969 0.15998 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16001 0.16002 0.16004 0.16006 0.16009 0.16012 0.16029 0.16035 0.16042 0.16057 0.16094 0.16147 0.16484 0.16572 0.16932 0.16940 0.17139 0.17212 0.17955 0.18384 0.18400 0.18433 0.18585 0.18704 0.18921 0.22132 0.22234 0.22643 0.23445 0.23483 0.23503 0.23563 0.23744 0.23793 0.24132 0.24426 0.24717 0.24939 0.24957 0.24996 0.24999 0.25000 0.25000 0.25000 0.25001 0.25003 0.25029 0.25103 0.25161 0.25290 0.25490 0.25758 0.26255 0.27207 0.27297 0.27949 0.28042 0.28410 0.28997 0.28998 0.29001 0.29001 0.29065 0.29078 0.29082 0.29106 0.29114 0.29138 0.29171 0.29446 0.30113 0.30176 0.30511 0.30523 0.30581 0.30699 0.30811 0.31109 0.31738 0.31883 0.33410 0.33490 0.33907 0.33927 0.33955 0.33962 0.33965 0.33998 0.34161 0.34165 0.34166 0.34167 0.34167 0.34167 0.34171 0.34177 0.34187 0.34197 0.34199 0.34211 0.34216 0.34216 0.34217 0.34218 0.34220 0.34227 0.34232 0.34238 0.34240 0.34241 0.34243 0.34309 0.34309 0.34315 0.34323 0.34338 0.34341 0.34343 0.34344 0.34358 0.34368 0.34376 0.34420 0.34459 0.34997 0.35007 0.35031 0.35075 0.35439 0.35450 0.35459 0.35486 0.35625 0.35642 0.35771 0.35818 0.41416 0.41667 0.41900 0.42033 0.42384 0.43660 0.44078 0.45029 0.45156 0.45359 0.45639 0.45840 0.45904 0.46305 0.46352 0.46455 0.46567 0.46631 0.47594 0.49503 0.49630 -3.23956789e-09 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 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88 R89 R90 R91 R92 R93 R94 R95 R96 R97 R98 R99 R100 R101 R102 R103 R104 R105 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 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 A157 A158 A159 A160 A161 A162 A163 A164 A165 A166 A167 A168 A169 A170 A171 A172 A173 A174 A175 A176 A177 A178 A179 A180 A181 A182 A183 A184 A185 A186 A187 A188 A189 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 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 2.67920 2.84437 3.31934 2.60969 2.05221 2.67920 2.05221 2.84437 3.31934 2.61671 2.95196 3.29527 2.68465 2.05028 2.58817 2.04959 3.25216 2.04452 2.58817 3.25216 2.04452 2.68465 2.04959 2.61671 2.05028 2.95197 3.29527 3.02041 2.66201 2.65668 2.63690 2.87760 2.64233 2.87730 2.63678 2.05796 2.63135 2.05872 2.87012 2.89760 2.07016 2.89889 2.06864 2.07239 2.07099 2.06750 2.07139 2.07319 2.07009 2.89753 2.89894 2.07093 2.07240 2.06859 2.07137 2.06745 2.07329 2.90035 2.90044 2.07525 2.07073 2.06757 2.07203 2.07081 2.07207 2.06792 2.65669 2.66201 3.02041 2.64233 2.87730 2.63691 2.87760 2.63136 2.05872 2.63678 2.05796 2.87012 2.07016 2.89760 2.89889 2.06864 2.07099 2.07239 2.06750 2.07319 2.07139 2.89753 2.07009 2.89894 2.07093 2.06859 2.07240 2.07137 2.07329 2.06745 2.07525 2.90044 2.90035 2.07081 2.06792 2.07207 2.07073 2.07203 2.06757 2.18805 1.87673 2.21840 2.00906 2.11188 2.16225 2.00906 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1.89390 1.93510 1.93547 1.93548 1.88270 1.87903 1.89408 2.22019 2.04763 2.01537 1.62539 1.62539 1.65321 -3.14108 0.00042 0.00004 3.14154 -3.14000 0.00187 0.00216 -3.13916 -0.00006 3.14105 0.00000 3.14150 -3.14150 -0.00000 3.14106 -0.00005 -0.00043 -3.14154 3.14000 -0.00183 -0.00217 3.13919 0.00006 -3.14104 3.14148 0.00006 0.00001 -3.14141 -3.14050 0.00132 0.00096 -3.14041 0.00001 -3.14146 -0.00003 -3.14154 3.14138 -0.00012 0.00004 -3.14150 3.14154 0.00000 -0.00003 3.14152 -0.00003 -3.14154 3.14150 -0.00001 0.00002 -3.14152 0.00003 -3.14139 3.14154 0.00012 -3.14148 -0.00002 -0.00006 3.14141 3.14050 -0.00136 -0.00094 3.14038 -0.00000 3.14146 1.56169 -1.55891 -1.57966 1.58292 -3.10462 0.01353 0.01645 3.13460 3.10474 -0.01522 -0.01632 -3.13628 -0.00587 3.12855 -3.12414 0.01028 0.14694 2.19791 -1.88915 -3.01797 -0.96700 1.22913 0.00564 -3.12899 3.12573 -0.00890 -2.18629 -0.13573 1.90061 0.97684 3.02740 -1.21945 -0.00503 3.13551 -3.13945 0.00109 0.00516 -3.13539 3.13985 -0.00070 -1.08727 1.09265 -3.13879 2.05325 -2.05002 0.00173 0.96771 -1.13489 3.05856 -1.08362 3.09697 1.00723 -3.12265 1.05794 -1.03180 -1.01232 -3.10180 1.08560 3.06689 0.97741 -1.11837 1.02635 -1.06313 3.12427 -3.05566 1.13862 -0.96463 -1.00355 -3.09246 1.08748 1.03540 -1.05350 3.12643 3.10324 1.01350 -1.08399 1.06480 -1.02494 -3.12243 -0.97532 -3.06506 1.12063 1.11263 -0.97383 -3.07948 -1.07605 3.12067 1.01502 -3.12344 1.07328 -1.03238 -1.11018 3.08203 0.97651 1.07822 -1.01275 -3.11827 3.12564 1.03466 -1.07085 0.01632 3.13626 -3.10473 0.01521 -0.01645 -3.13461 3.10461 -0.01355 1.55897 -1.58283 -1.56163 1.57976 -0.00564 3.12899 -3.12571 0.00892 0.13585 2.18641 -1.90048 -3.02730 -0.97674 1.21955 0.00587 -3.12855 3.12416 -0.01026 -2.19777 -0.14681 1.88928 0.96712 3.01808 -1.22901 -0.00515 3.13539 -3.13984 0.00070 0.00503 -3.13551 3.13945 -0.00109 -0.00173 2.05002 -2.05325 3.13878 -1.09266 1.08726 -0.96769 -3.05854 1.13491 1.08364 -1.00720 -3.09694 3.12267 1.03183 -1.05791 1.01232 -1.08560 3.10180 -1.02634 -3.12426 1.06314 -3.06688 1.11839 -0.97740 3.05569 0.96465 -1.13859 1.00359 -1.08745 3.09250 -1.03536 -3.12640 1.05355 -3.10323 1.08399 -1.01350 0.97534 -1.12062 3.06508 -1.06478 3.12244 1.02495 1.11019 -0.97651 -3.08202 -3.12564 1.07085 -1.03466 -1.07822 3.11827 1.01276 -1.11263 3.07949 0.97383 3.12345 1.03238 -1.07328 1.07605 -1.01501 -3.12067 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000007 0.000001 0.001254 0.000247 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -4.071130e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88 R89 R90 R91 R92 R93 R94 R95 R96 R97 R98 R99 R100 R101 R102 R103 R104 R105 1 1 1 2 2 3 3 4 4 5 5 5 6 6 7 7 8 8 9 9 9 10 10 11 11 12 12 19 20 20 21 21 22 22 23 23 24 24 25 28 28 28 29 29 29 31 31 31 32 32 32 34 34 34 35 35 35 36 36 36 37 37 37 38 38 38 40 40 40 41 41 42 42 43 43 44 44 45 48 48 48 50 50 50 51 51 51 52 52 52 53 53 53 55 55 55 56 56 56 58 58 58 59 59 59 2 19 63 3 13 4 14 60 63 6 60 62 7 15 8 16 62 100 10 61 101 11 17 12 18 19 61 20 21 22 23 32 24 28 25 26 25 27 36 29 30 31 97 98 99 94 95 96 33 34 35 88 89 90 91 92 93 37 38 39 82 83 84 85 86 87 41 42 60 43 48 44 52 45 46 45 47 56 49 50 51 73 74 75 70 71 72 53 54 55 67 68 69 64 65 66 57 58 59 79 80 81 76 77 78 1.4178 1.5052 1.7565 1.381 1.086 1.4178 1.086 1.5052 1.7565 1.3847 1.5621 1.7438 1.4207 1.085 1.3696 1.0846 1.721 1.0819 1.3696 1.721 1.0819 1.4207 1.0846 1.3847 1.085 1.5621 1.7438 1.5983 1.4087 1.4059 1.3954 1.5228 1.3983 1.5226 1.3953 1.089 1.3925 1.0894 1.5188 1.5333 1.0955 1.534 1.0947 1.0967 1.0959 1.0941 1.0961 1.0971 1.0954 1.5333 1.5341 1.0959 1.0967 1.0946 1.0961 1.094 1.0971 1.5348 1.5348 1.0982 1.0958 1.0941 1.0965 1.0958 1.0965 1.0943 1.4059 1.4087 1.5983 1.3983 1.5226 1.3954 1.5228 1.3925 1.0894 1.3953 1.089 1.5188 1.0955 1.5333 1.534 1.0947 1.0959 1.0967 1.0941 1.0971 1.0961 1.5333 1.0954 1.5341 1.0959 1.0946 1.0967 1.0961 1.0971 1.094 1.0982 1.5348 1.5348 1.0958 1.0943 1.0965 1.0958 1.0965 1.0941 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 A157 A158 A159 A160 A161 A162 A163 A164 A165 A166 A167 A168 A169 A170 A171 A172 A173 A174 A175 A176 A177 A178 A179 A180 A181 A182 A183 A184 A185 A186 A187 A188 A189 2 2 19 1 1 3 2 2 4 3 3 60 6 6 60 5 5 7 6 6 8 7 7 62 10 10 61 9 9 11 10 10 12 11 11 19 1 1 12 19 19 21 20 20 23 20 20 24 21 21 25 22 22 25 23 23 24 22 22 22 29 29 30 28 28 28 97 97 98 28 28 28 94 94 95 21 21 21 33 33 34 32 32 32 88 88 89 32 32 32 91 91 92 25 25 25 37 37 38 36 36 36 82 82 83 36 36 36 85 85 86 41 41 42 40 40 43 40 40 44 41 41 45 42 42 45 43 43 44 41 41 41 49 49 50 48 48 48 73 73 74 48 48 48 70 70 71 42 42 42 53 53 54 52 52 52 67 67 68 52 52 52 64 64 65 45 45 45 57 57 58 56 56 56 79 79 80 56 56 56 76 76 77 4 4 5 9 5 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 28 28 28 28 28 28 29 29 29 29 29 29 31 31 31 31 31 31 32 32 32 32 32 32 34 34 34 34 34 34 35 35 35 35 35 35 36 36 36 36 36 36 37 37 37 37 37 37 38 38 38 38 38 38 40 40 40 41 41 41 42 42 42 43 43 43 44 44 44 45 45 45 48 48 48 48 48 48 50 50 50 50 50 50 51 51 51 51 51 51 52 52 52 52 52 52 53 53 53 53 53 53 55 55 55 55 55 55 56 56 56 56 56 56 58 58 58 58 58 58 59 59 59 59 59 59 60 60 60 61 62 63 19 63 63 3 13 13 4 14 14 60 63 63 60 62 62 7 15 15 8 16 16 62 100 100 61 101 101 11 17 17 12 18 18 19 61 61 12 20 20 21 22 22 23 32 32 24 28 28 25 26 26 25 27 27 24 36 36 29 30 31 30 31 31 97 98 99 98 99 99 94 95 96 95 96 96 33 34 35 34 35 35 88 89 90 89 90 90 91 92 93 92 93 93 37 38 39 38 39 39 82 83 84 83 84 84 85 86 87 86 87 87 42 60 60 43 48 48 44 52 52 45 46 46 45 47 47 44 56 56 49 50 51 50 51 51 73 74 75 74 75 75 70 71 72 71 72 72 53 54 55 54 55 55 67 68 69 68 69 69 64 65 66 65 66 66 57 58 59 58 59 59 79 80 81 80 81 81 76 77 78 77 78 78 5 40 40 12 8 4 125.366 107.5289 127.1052 115.1106 121.0016 123.8878 115.1106 123.8879 121.0015 125.3659 107.5288 127.1053 125.5626 108.6422 125.7952 114.6526 121.4002 123.9471 112.2095 124.2626 123.5278 111.3674 127.9383 120.6943 111.3674 127.9382 120.6943 112.2095 123.5278 124.2626 114.6526 123.9472 121.4002 125.5623 108.6423 125.7954 127.2082 117.3215 115.4704 120.7099 120.7779 118.5017 120.1807 120.1713 119.6345 120.0859 120.2686 119.634 121.5872 119.2164 119.1951 121.6855 119.6127 118.7006 117.9515 121.2094 120.8391 112.3513 107.2353 111.1918 107.1601 111.5563 107.0169 110.7013 111.6872 110.386 108.0678 108.2153 107.6538 110.4764 110.7017 111.0331 108.1053 108.3193 108.1034 107.2482 112.4257 111.1241 107.1386 107.0292 111.5458 110.3581 111.7224 110.7328 107.6118 108.2222 108.0617 110.7155 110.4811 110.9999 108.1082 108.1208 108.3146 111.7427 111.7698 107.123 110.8643 107.5429 107.5408 110.8731 110.8947 110.8944 107.6606 107.8709 108.5229 110.8445 110.9066 110.8905 107.8754 107.6883 108.5123 118.5017 120.7779 120.7099 120.0859 120.2685 119.6341 120.1807 120.1719 119.6339 121.6855 119.6127 118.7006 121.5872 119.2163 119.1952 117.9515 120.839 121.2095 107.2353 112.3523 111.191 107.1601 107.0171 111.5559 110.7015 110.3859 111.6874 108.2152 108.0678 107.6536 110.4764 111.0329 110.7017 108.3193 108.1054 108.1036 112.4245 107.2484 111.1254 107.139 111.5456 107.0286 110.3587 110.7329 111.7215 108.2222 107.6122 108.0616 110.7151 111.0006 110.4812 108.1205 108.1081 108.3145 107.123 111.7698 111.7427 107.5408 107.5429 110.8643 110.8444 110.8905 110.9067 107.6883 107.8754 108.5123 110.8732 110.8944 110.8947 107.8708 107.6606 108.5229 127.2079 117.3216 115.4704 93.1282 93.1282 94.7211 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 19 19 63 63 2 2 63 63 2 19 1 1 13 13 2 2 14 14 3 3 63 63 3 60 60 60 62 62 6 6 62 62 6 60 5 5 15 15 6 6 16 16 7 100 61 61 101 101 10 101 9 9 17 17 10 10 18 18 11 11 61 61 11 19 1 1 12 12 19 19 22 22 19 19 21 21 20 20 32 32 20 20 20 23 23 23 20 20 28 28 20 20 20 24 24 24 21 21 26 26 22 22 27 27 23 23 23 24 24 24 22 22 22 30 30 30 31 31 31 22 22 22 29 29 29 30 30 30 21 21 21 33 33 33 35 35 35 21 21 21 33 33 33 34 34 34 25 25 25 38 38 38 39 39 39 25 25 25 37 37 37 39 39 39 42 42 60 60 41 41 60 60 41 41 42 42 40 40 48 48 40 40 40 43 43 43 40 40 52 52 40 40 40 44 44 44 41 41 46 46 42 42 47 47 43 43 43 44 44 44 41 41 41 49 49 49 51 51 51 41 41 41 49 49 49 50 50 50 42 42 42 54 54 54 55 55 55 42 42 42 53 53 53 54 54 54 45 45 45 57 57 57 59 59 59 45 45 45 57 57 57 58 58 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 6 6 6 6 7 7 7 7 8 8 9 9 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 12 12 19 19 19 19 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 21 21 22 22 22 22 22 22 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 25 25 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 32 32 32 32 32 32 32 32 32 32 32 32 32 32 32 32 32 32 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 40 40 40 40 40 40 40 40 40 40 40 40 41 41 41 41 41 41 41 41 41 41 42 42 42 42 42 42 42 42 42 42 43 43 43 43 44 44 44 44 45 45 45 45 45 45 48 48 48 48 48 48 48 48 48 48 48 48 48 48 48 48 48 48 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 52 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 2 2 2 2 19 19 19 19 63 63 3 3 3 3 4 4 4 4 60 60 60 60 63 63 6 6 6 6 60 60 60 60 62 62 7 7 7 7 8 8 8 8 62 62 10 10 10 10 61 61 11 11 11 11 12 12 12 12 19 19 19 19 61 61 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 32 32 32 32 32 32 24 24 24 24 28 28 28 28 28 28 25 25 25 25 25 25 25 25 36 36 36 36 36 36 29 29 29 29 29 29 29 29 29 31 31 31 31 31 31 31 31 31 34 34 34 34 34 34 34 34 34 35 35 35 35 35 35 35 35 35 37 37 37 37 37 37 37 37 37 38 38 38 38 38 38 38 38 38 41 41 41 41 42 42 42 42 60 60 60 60 43 43 43 43 48 48 48 48 48 48 44 44 44 44 52 52 52 52 52 52 45 45 45 45 45 45 45 45 56 56 56 56 56 56 50 50 50 50 50 50 50 50 50 51 51 51 51 51 51 51 51 51 53 53 53 53 53 53 53 53 53 55 55 55 55 55 55 55 55 55 58 58 58 58 58 58 58 58 58 59 59 59 59 59 59 59 59 3 13 3 13 12 20 12 20 4 4 4 14 4 14 60 63 60 63 5 40 5 40 1 1 7 15 7 15 4 40 4 40 8 8 8 16 8 16 62 100 62 100 5 5 11 17 11 17 12 12 12 18 12 18 19 61 19 61 1 20 1 20 9 9 21 22 21 22 23 32 23 32 24 28 24 28 25 26 25 26 33 34 35 33 34 35 25 27 25 27 29 30 31 29 30 31 24 36 24 36 23 36 23 36 37 38 39 37 38 39 97 98 99 97 98 99 97 98 99 94 95 96 94 95 96 94 95 96 88 89 90 88 89 90 88 89 90 91 92 93 91 92 93 91 92 93 82 83 84 82 83 84 82 83 84 85 86 87 85 86 87 85 86 87 43 48 43 48 44 52 44 52 4 5 4 5 45 46 45 46 49 50 51 49 50 51 45 47 45 47 53 54 55 53 54 55 44 56 44 56 43 56 43 56 57 58 59 57 58 59 73 74 75 73 74 75 73 74 75 70 71 72 70 71 72 70 71 72 67 68 69 67 68 69 67 68 69 64 65 66 64 65 66 64 65 66 79 80 81 79 80 81 79 80 81 76 77 78 76 77 78 76 77 -179.9729 0.0206 0.0076 180.0012 -179.904 0.1099 0.1193 -179.8669 -0.0101 179.97 -0.0001 179.9933 -179.9934 -0.0001 179.9719 -0.0075 -0.0217 -180.0011 179.9072 -0.1099 -0.1175 179.8654 0.0101 -179.9688 179.9887 -0.0004 -0.003 -179.9921 -179.9396 0.0772 0.0507 -179.9325 0.0026 -179.9891 0.0019 -179.994 179.9906 -0.0052 0.0002 -179.9972 179.9961 -0.0013 -0.0016 179.996 -0.0003 -179.9963 179.9968 0.0009 0.0019 -179.9955 -0.0021 -179.99 179.9938 0.0059 -179.9893 0.0034 -0.0011 179.9917 179.9396 -0.074 -0.0519 179.9345 -0.003 179.9897 89.4811 -89.3201 -90.5066 90.6921 -177.8848 0.7718 0.9432 179.5998 177.892 -0.8717 -0.9353 -179.6989 -0.3368 179.2529 -179.0007 0.5891 8.4298 125.9419 -108.2299 -172.9062 -55.3942 70.434 0.3225 -179.2788 179.094 -0.5073 -125.2592 -7.771 108.9031 55.9715 173.4597 -69.8662 -0.2884 179.6529 -179.8782 0.0631 0.2959 -179.6456 179.9007 -0.0408 -62.2921 62.6082 -179.8357 117.6475 -117.4522 0.1039 55.445 -65.0252 175.2416 -62.0879 177.442 57.7088 -178.9156 60.6143 -59.1189 -58.0033 -177.7215 62.1986 175.7189 56.0006 -64.0792 58.8044 -60.9139 179.0063 -175.072 65.2433 -55.2645 -57.4949 -177.1796 62.3126 59.3289 -60.3558 179.1365 177.8056 58.0718 -62.1055 61.0117 -58.7221 -178.8994 -55.8785 -175.6123 64.2104 63.7497 -55.7959 -176.4409 -61.6525 178.8019 58.1569 -178.9593 61.4951 -59.15 -63.6087 176.5871 55.95 61.7782 -58.026 -178.663 179.0864 59.2821 -61.3549 0.936 179.6981 -177.8922 0.8698 -0.9442 -179.6029 177.8849 -0.7738 89.3269 -90.6881 -89.4754 90.5096 -0.3225 179.2788 -179.0924 0.5089 7.7777 125.2665 -108.8962 -173.4546 -55.9659 69.8715 0.3374 -179.2529 179.0033 -0.587 -125.9315 -8.4194 108.2405 55.4025 172.9145 -70.4255 -0.2963 179.6462 -179.9012 0.0414 0.2886 -179.6538 179.8789 -0.0635 -0.104 117.4521 -117.6476 179.8367 -62.6072 62.2931 -55.4449 -175.2415 65.0255 62.0886 -57.708 -177.441 178.9162 59.1196 -60.6134 58.0029 -62.1989 177.7212 -58.8045 -179.0063 60.9138 -175.7189 64.0793 -56.0005 175.0738 55.2658 -65.2412 57.4968 -62.3111 177.1819 -59.3265 -179.1345 60.3585 -177.8053 62.106 -58.0717 55.8796 -64.2092 175.6132 -61.0108 178.9005 58.7228 63.6085 -55.9502 -176.5872 -179.0866 61.3547 -59.2823 -61.7784 178.6629 58.0259 -63.7498 176.4408 55.7958 178.9592 59.1498 -61.4952 61.6523 -58.1571 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 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0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 622.2663999999997 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