Gaussian 16 GINC-ART GMALLOCI remark line goes here ES64L-G16RevA.03 18-Oct-2021 Gaussian 16 25-Dec-2016 ES64L-G16RevA.03 58 58 (6D, 7F) 6-31G(d,p) RB3LYP 6-31G(d,p) FOpt #B3LYP/6-31G(d,p) SCF(Conver=8) SCRF=(PCM,Solvent=Water) Opt(Tight)NoSymm Int=UltraFine Freq Test 512.3939999999998 0 1 AuxInfo=1/0/N:17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;9;10;11;12;13;14;15;16;3;4;5;6;7;8;1;2;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58/rA:58nS0S0O0O0O0O0O0O0N0N0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.2736,-.3847,-1.863;6.7062,-3.7217,.3701;2.0727,1.5179,2.0966;-5.2576,-1.4116,-.6143;-.9733,2.6703,1.962;-1.5221,.539,2.5107;5.3362,2.1796,-1.2731;7.8391,1.2189,-1.8779;-5.991,.5601,.3362;.7565,1.3961,.1081;-8.811,-1.0449,-1.253;3.895,.6465,-.4072;7.477,.1499,-1.3425;7.0836,-2.2037,-.3226;4.9269,-1.825,.2562;4.1341,-3.7848,1.2538;-7.4151,.3,.2152;1.4921,1.2841,-1.151;2.8091,1.571,-.3545;-7.9102,-.9888,.9463;-7.8606,.1296,-1.2661;-5.4608,1.8752,.7187;-8.3215,-1.9646,-.1521;1.8965,1.5185,.8985;-3.9416,1.6316,.8405;-3.7085,.3619,.0687;-5.0258,-.3003,-.1185;-.5527,.9826,.3765;-1.2159,.2416,-.5619;-.5644,-.2246,-1.8649;-2.6057,-.1969,-.4749;-1.0703,1.4359,1.7605;5.1398,1.0315,-.8659;6.2077,-.0052,-.8476;6.0545,-1.3242,-.3064;5.0883,-3.0708,.6673;-7.9174,1.1664,.646;1.2008,2.0383,-1.8861;3.2016,2.5678,-.5677;-8.7658,-.7434,1.5805;-7.13,-1.4139,1.577;-7.0191,-.1534,-1.8945;-8.3713,.9953,-1.6834;-5.6952,2.6194,-.0533;-5.9102,2.2088,1.6583;-7.4586,-2.4918,-.5547;-9.1185,-2.6581,.1116;-3.6564,1.4707,1.8859;-3.3454,2.4726,.4801;-8.8469,-1.5144,-2.1612;-.9328,-1.2231,-2.1168;-.8421,.4313,-2.6975;-2.819,-1.1159,-1.0234;3.7829,-.2924,-.036;4.274,-4.7348,1.5615;3.2279,-3.3607,1.3963;-9.7642,-.7304,-1.0507;8.1428,2.2164,-2.3401; g16 Output=mol.log NProcShared=64 Mem=800Mb #B3LYP/6-31G(d,p) SCF(Conver=8) SCRF=(PCM,Solvent=Water) Opt(Tight) No 1/7=10,18=20,19=15,26=6,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=1,6=6,7=101,11=2,25=1,30=1,70=2201,71=1,72=1,74=-5,75=-5/1,2,3 4//1 5/5=2,6=8,38=5,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 7/30=1/1,2,3,16 1/7=10,18=20,19=15,26=6/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=1,6=6,7=101,11=2,25=1,30=1,70=2205,71=1,72=1,74=-5,75=-5/1,2,3 4/5=5,16=3,69=1/1 5/5=2,6=8,38=5,53=1/2 7/30=1/1,2,3,16 1/7=10,18=20,19=15,26=6/3(-5) 2/9=110,15=1/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 remark line goes here Add virtual bond connecting atoms H58 and O8 Dist= 2.16D+00. 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 1 1 2 2 3 4 5 6 7 8 8 9 9 9 10 10 10 11 11 11 11 12 12 12 13 14 15 15 16 16 16 17 17 17 18 18 19 19 20 20 20 21 21 22 22 22 23 23 25 25 25 26 26 28 28 29 29 30 30 31 33 34 18 30 14 36 24 27 32 32 33 13 58 17 22 27 18 24 28 21 23 50 57 19 33 54 34 35 35 36 36 55 56 20 21 37 19 38 24 39 23 40 41 42 43 25 44 45 46 47 26 48 49 27 31 29 32 30 31 51 52 53 34 35 1.8275 1.845 1.7108 1.7691 1.211 1.2388 1.2545 1.2536 1.2338 1.2491 1.1406 1.4526 1.4687 1.3707 1.4625 1.3925 1.399 1.511 1.5157 1.023 1.0238 1.4272 1.3814 1.0158 1.3713 1.3538 1.3561 1.3219 1.3282 1.0084 1.0107 1.5622 1.5562 1.0903 1.5656 1.0928 1.551 1.0922 1.5257 1.093 1.0896 1.0876 1.0883 1.5434 1.0976 1.0937 1.0884 1.0889 1.5041 1.0955 1.0921 1.4861 1.3505 1.3673 1.5456 1.5296 1.4599 1.0936 1.0957 1.0913 1.4885 1.4339 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 18 14 17 17 22 18 18 24 21 21 21 23 23 50 19 19 33 8 2 35 36 36 55 9 9 9 20 20 21 1 1 1 10 10 19 12 12 12 18 18 24 17 17 17 23 23 40 11 11 11 17 17 42 9 9 9 25 25 44 11 11 11 20 20 46 3 3 10 22 22 22 26 26 48 25 25 27 4 4 9 10 10 29 28 28 30 1 1 1 29 29 51 26 26 29 5 5 6 7 7 12 13 13 33 14 14 15 2 2 15 1 2 9 9 9 10 10 10 11 11 11 11 11 11 12 12 12 13 14 15 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 22 22 22 23 23 23 23 23 23 24 24 24 25 25 25 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 30 30 30 30 30 30 31 31 31 32 32 32 33 33 33 34 34 34 35 35 35 36 36 36 30 36 22 27 27 24 28 28 23 50 57 50 57 57 33 54 54 34 35 36 55 56 56 20 21 37 21 37 37 10 19 38 19 38 38 18 24 39 24 39 39 23 40 41 40 41 41 17 42 43 42 43 43 25 44 45 44 45 45 20 46 47 46 47 47 10 19 19 26 48 49 48 49 49 27 31 31 9 26 26 29 32 32 30 31 31 29 51 52 51 52 52 29 53 53 6 28 28 12 34 34 33 35 35 15 34 34 15 16 16 92.308 86.7523 122.4098 123.3896 113.2163 94.7984 127.8226 133.0944 105.9525 111.7802 110.4009 112.1869 110.0948 106.4798 121.155 120.0877 118.581 121.3178 113.8228 112.0598 122.7879 118.7427 118.4693 114.7972 112.3056 106.05 105.3309 108.9428 109.3457 110.1957 117.784 109.649 88.3426 113.0951 116.1045 120.1694 117.1027 108.0912 84.8277 111.729 113.5806 106.0318 109.5404 111.4579 110.5079 111.1154 108.1895 104.8856 106.8229 109.0523 110.9141 114.3455 110.3972 103.5705 110.2916 110.396 111.883 112.6361 108.0391 102.817 106.3397 109.0249 111.2423 115.4846 111.1879 132.8933 135.5335 91.4949 104.1956 110.7753 112.9427 108.9855 113.3374 106.6182 107.6668 133.0297 119.2528 124.3374 128.0292 107.6189 118.8459 113.4804 127.6714 122.9029 125.7051 111.3904 116.7389 104.8741 107.7712 109.3236 110.9073 106.6274 132.6142 113.0272 114.1439 129.4771 113.9884 116.5343 120.8211 122.548 116.6299 125.5105 109.8248 124.6646 113.4004 120.7905 125.8091 113.9647 122.2388 123.7965 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A111 A112 13 13 8 8 58 58 5 5 -1 -2 178.0079 estimate D2E/DX2|estimate D2E/DX2 179.0762 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 30 30 30 18 18 18 36 14 14 22 22 22 27 27 27 17 17 17 27 27 27 17 17 22 22 24 24 24 28 28 28 18 18 28 28 18 18 24 24 23 23 23 50 50 50 57 57 57 21 21 21 50 50 50 57 57 57 33 33 33 54 54 54 19 19 54 54 8 8 2 2 36 36 35 35 55 55 56 56 9 9 9 21 21 21 37 37 37 9 9 9 20 20 20 37 37 37 1 1 1 10 10 10 38 38 38 12 12 18 18 39 39 17 17 17 40 40 40 41 41 41 9 9 9 44 44 44 45 45 45 22 22 48 48 49 49 25 25 31 31 25 25 27 27 10 10 32 32 10 10 29 29 28 28 28 31 31 31 28 28 30 30 7 7 12 12 13 13 33 33 1 1 1 1 1 1 2 2 2 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 13 13 14 14 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 22 22 22 22 22 22 22 22 22 25 25 25 25 25 25 26 26 26 26 26 26 26 26 28 28 28 28 28 28 28 28 29 29 29 29 29 29 29 29 29 29 33 33 33 33 34 34 34 34 18 18 18 30 30 30 14 36 36 17 17 17 17 17 17 22 22 22 22 22 22 27 27 27 27 18 18 18 18 18 18 24 24 24 24 28 28 28 28 21 21 21 21 21 21 21 21 21 23 23 23 23 23 23 23 23 23 19 19 19 19 19 19 33 33 33 33 34 34 35 35 35 35 36 36 36 36 36 36 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 21 19 19 19 19 19 19 19 19 19 24 24 24 24 24 24 23 23 23 23 23 23 23 23 23 25 25 25 25 25 25 25 25 25 26 26 26 26 26 26 27 27 27 27 31 31 31 31 29 29 29 29 32 32 32 32 30 30 30 30 30 30 31 31 31 31 34 34 34 34 35 35 35 35 10 19 38 29 51 52 35 15 16 20 21 37 20 21 37 25 44 45 25 44 45 4 26 4 26 1 19 38 1 19 38 3 19 3 19 29 32 29 32 17 42 43 17 42 43 17 42 43 20 46 47 20 46 47 20 46 47 18 24 39 18 24 39 7 34 7 34 33 35 15 34 14 34 2 16 2 15 2 15 23 40 41 23 40 41 23 40 41 11 42 43 11 42 43 11 42 43 12 24 39 12 24 39 12 24 39 3 10 3 10 3 10 11 46 47 11 46 47 11 46 47 26 48 49 26 48 49 26 48 49 27 31 27 31 27 31 4 9 4 9 29 53 29 53 30 31 30 31 5 6 5 6 1 51 52 1 51 52 26 53 26 53 13 35 13 35 14 15 14 15 56.2702 155.4177 -68.8389 -49.6758 -170.819 75.8509 0.0353 -0.0008 -179.9399 -131.3622 108.3504 -11.03 60.7649 -59.5225 -178.9029 174.9547 -65.1753 54.1467 -16.0484 103.8216 -136.8564 -3.8554 174.854 -172.7283 5.981 113.3334 -5.7604 -123.5488 -45.5926 -164.6864 77.5252 -171.2574 5.8141 -14.1473 162.9242 8.5239 -171.9969 -142.0904 37.3887 -32.0082 85.7827 -154.9012 -154.4989 -36.7079 82.6082 87.1721 -155.0369 -35.7208 39.691 -77.3037 162.7298 161.9226 44.9278 -75.0386 -79.6907 163.3146 43.3482 120.9192 -138.6899 -8.902 -63.9746 36.4163 166.2042 -1.763 178.5981 -176.9411 3.42 -0.601 179.2911 -0.0626 179.9084 0.0608 -179.9085 -0.0334 179.9046 -0.0722 179.9948 -179.905 0.162 -111.7244 129.0157 9.3189 12.344 -106.9159 133.3873 129.5537 10.2938 -109.4031 137.3474 22.3761 -103.2459 11.7192 -103.2521 131.1259 -105.2169 139.8118 14.1898 11.5978 -106.8595 139.7919 123.6304 5.173 -108.1755 -121.3567 120.186 6.8374 50.1357 -126.8014 171.5037 -5.4333 -77.0217 106.0413 -31.4645 81.9882 -150.0704 87.1578 -159.3896 -31.4482 -152.7285 -39.2758 88.6656 18.9788 -98.0783 142.4006 -99.7988 143.1442 23.6231 138.2598 21.2028 -98.3183 -16.3317 160.97 101.9596 -80.7387 -139.4967 37.805 -174.22 7.133 8.0405 -170.6065 -2.4541 -176.6975 174.5988 0.3554 3.5049 -176.0034 -175.8915 4.6001 53.8446 -126.2875 -126.7318 53.1361 24.6802 143.4474 -99.2587 -155.7486 -36.9814 80.3126 33.2859 -152.52 -146.2707 27.9233 -4.3287 175.7947 175.3034 -4.5732 0.5655 -179.4673 -179.5413 0.4259 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate 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1.90959 2.74615 2.77552 2.58871 2.76512 2.62471 2.64585 2.85712 2.86411 1.93341 1.93443 2.71047 2.54622 1.93937 2.46534 2.48657 2.59647 2.49606 2.52943 1.90396 1.90790 2.95118 2.94142 2.06013 2.95201 2.06432 2.93683 2.06120 2.88246 2.06556 2.05946 2.05493 2.05658 2.91690 2.07394 2.06672 2.05687 2.05792 2.84195 2.07019 2.06380 2.80965 2.55107 2.58198 2.92186 2.88949 2.76015 2.06645 2.07032 2.06216 2.84267 2.81844 1.61087 1.60383 2.13702 2.15587 1.97700 1.65830 2.23215 2.32414 1.85249 1.95105 1.92654 1.95715 1.92030 1.85739 2.13400 2.11794 2.03122 2.08881 1.87793 1.91834 2.12645 2.07508 2.06163 2.00216 1.96118 1.85037 1.83870 1.90185 1.90864 1.92438 2.06399 1.91511 1.54069 1.97446 2.01622 2.08334 2.02679 1.89945 1.48211 1.96069 1.98536 1.85012 1.91193 1.94524 1.92808 1.94122 1.88749 1.83189 1.86532 1.90223 1.93674 1.99395 1.92671 1.80808 1.92460 1.92669 1.95335 1.96511 1.88577 1.79328 1.85633 1.90254 1.94236 2.01508 1.94133 2.32818 2.36002 1.59381 1.81878 1.93260 1.97123 1.90131 1.97825 1.86200 1.87910 2.32242 2.08100 2.17187 2.23285 1.87824 2.07223 1.97993 2.23099 2.14683 2.19223 1.94411 2.03956 1.82763 1.88011 1.90882 1.93570 1.86154 2.31220 1.97451 1.99297 2.26159 1.98789 2.03370 2.13093 2.08087 2.07138 2.13074 1.99782 2.15462 2.09263 2.10391 2.08664 1.93198 2.18069 2.17040 1.87449 3.33830 0.97790 2.71137 -1.20814 -0.86434 -2.97886 1.32737 -0.00918 0.00719 -3.11866 -2.25456 1.92901 -0.15507 1.07339 -1.02623 -3.11031 3.03697 -1.15328 0.92917 -0.27356 1.81937 -2.38137 -0.05202 3.06869 -3.02257 0.09814 1.99241 -0.09481 -2.13893 -0.79653 -2.88375 1.35532 -2.99869 0.09528 -0.24007 2.85390 0.15487 -2.99543 -2.49549 0.63740 -0.54060 1.51734 -2.68356 -2.67961 -0.62167 1.46062 1.53978 -2.68547 -0.60318 0.68809 -1.35436 2.83410 2.82322 0.78077 -1.31395 -1.39638 2.84435 0.74963 2.13302 -2.41585 -0.14891 -1.00136 0.73296 2.99990 -0.01953 3.12560 3.11519 -0.02287 0.02447 -3.11359 0.01001 -3.12900 -0.00473 3.13431 -0.00295 3.12301 -0.12284 3.03659 -3.04665 0.11278 -1.92891 2.27380 0.18565 0.23719 -1.84329 2.35174 2.28350 0.20303 -1.88513 2.37200 0.36317 -1.82861 0.18026 -1.82857 2.26283 -1.86145 2.41291 0.22113 0.17295 -1.87274 2.42742 2.13041 0.08472 -1.89831 -2.14734 2.09015 0.10713 0.90334 -2.18913 3.00322 -0.08924 -1.32178 1.86894 -0.55985 1.42038 -2.62848 1.50997 -2.79298 -0.55865 -2.67700 -0.69677 1.53757 0.32716 -1.71462 2.48160 -1.74604 2.49536 0.40839 2.40879 0.36701 -1.71996 -0.28433 2.81643 1.77904 -1.40339 -2.43420 0.66656 -3.03566 0.12777 0.14011 -2.97964 -0.04130 -3.08588 3.05571 0.01112 0.05472 -3.08011 -3.07676 0.07159 0.93630 -2.20776 -2.21496 0.92417 0.43311 2.50436 -1.73053 -2.71439 -0.64314 1.40516 0.59304 -2.64635 -2.54246 0.50134 -0.07094 3.06680 3.06722 -0.07822 0.20490 -2.93412 -2.93310 0.21107 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000000 0.000000 0.000057 0.000009 0.000015 0.000010 0.000060 0.000040 YES YES YES YES -1.413527e-12 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 1 1 2 2 3 4 5 6 7 8 8 9 9 9 10 10 10 11 11 11 11 12 12 12 13 14 15 15 16 16 16 17 17 17 18 18 19 19 20 20 20 21 21 22 22 22 23 23 25 25 25 26 26 28 28 29 29 30 30 31 33 34 18 30 14 36 24 27 32 32 33 13 58 17 22 27 18 24 28 21 23 50 57 19 33 54 34 35 35 36 36 55 56 20 21 37 19 38 24 39 23 40 41 42 43 25 44 45 46 47 26 48 49 27 31 29 32 30 31 51 52 53 34 35 1.8282 1.8452 1.6918 1.7608 1.2097 1.2387 1.2542 1.2532 1.2529 1.3469 1.0105 1.4532 1.4687 1.3699 1.4632 1.3889 1.4001 1.5119 1.5156 1.0231 1.0237 1.4343 1.3474 1.0263 1.3046 1.3158 1.374 1.3209 1.3385 1.0075 1.0096 1.5617 1.5565 1.0902 1.5621 1.0924 1.5541 1.0907 1.5253 1.093 1.0898 1.0874 1.0883 1.5436 1.0975 1.0937 1.0885 1.089 1.5039 1.0955 1.0921 1.4868 1.35 1.3663 1.5462 1.5291 1.4606 1.0935 1.0956 1.0912 1.5043 1.4915 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 18 14 17 17 22 18 18 24 21 21 21 23 23 50 19 19 33 8 2 35 36 36 55 9 9 9 20 20 21 1 1 1 10 10 19 12 12 12 18 18 24 17 17 17 23 23 40 11 11 11 17 17 42 9 9 9 25 25 44 11 11 11 20 20 46 3 3 10 22 22 22 26 26 48 25 25 27 4 4 9 10 10 29 28 28 30 1 1 1 29 29 51 26 26 29 5 5 6 7 7 12 13 13 33 14 14 15 2 2 15 1 2 9 9 9 10 10 10 11 11 11 11 11 11 12 12 12 13 14 15 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 22 22 22 23 23 23 23 23 23 24 24 24 25 25 25 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 30 30 30 30 30 30 31 31 31 32 32 32 33 33 33 34 34 34 35 35 35 36 36 36 30 36 22 27 27 24 28 28 23 50 57 50 57 57 33 54 54 34 35 36 55 56 56 20 21 37 21 37 37 10 19 38 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104.7155 107.7223 109.3673 110.9076 106.6584 132.4795 113.1312 114.1889 129.5796 113.8977 116.5226 122.0932 119.2251 118.6814 122.0822 114.4668 123.4507 119.8991 120.5453 119.5555 110.6944 124.9444 124.3546 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A111 13 8 58 5 -1 107.4005 -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 30 30 30 18 18 18 36 14 14 22 22 22 27 27 27 17 17 17 27 27 27 17 17 22 22 24 24 24 28 28 28 18 18 28 28 18 18 24 24 23 23 23 50 50 50 57 57 57 21 21 21 50 50 50 57 57 57 33 33 33 54 54 54 19 19 54 54 8 8 2 2 36 36 35 35 55 55 56 56 9 9 9 21 21 21 37 37 37 9 9 9 20 20 20 37 37 37 1 1 1 10 10 10 38 38 38 12 12 18 18 39 39 17 17 17 40 40 40 41 41 41 9 9 9 44 44 44 45 45 45 22 22 48 48 49 49 25 25 31 31 25 25 27 27 10 10 32 32 10 10 29 29 28 28 28 31 31 31 28 28 30 30 7 7 12 12 13 13 33 1 1 1 1 1 1 2 2 2 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 13 13 14 14 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 22 22 22 22 22 22 22 22 22 25 25 25 25 25 25 26 26 26 26 26 26 26 26 28 28 28 28 28 28 28 28 29 29 29 29 29 29 29 29 29 29 33 33 33 33 34 34 34 18 18 18 30 30 30 14 36 36 17 17 17 17 17 17 22 22 22 22 22 22 27 27 27 27 18 18 18 18 18 18 24 24 24 24 28 28 28 28 21 21 21 21 21 21 21 21 21 23 23 23 23 23 23 23 23 23 19 19 19 19 19 19 33 33 33 33 34 34 35 35 35 35 36 36 36 36 36 36 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 21 19 19 19 19 19 19 19 19 19 24 24 24 24 24 24 23 23 23 23 23 23 23 23 23 25 25 25 25 25 25 25 25 25 26 26 26 26 26 26 27 27 27 27 31 31 31 31 29 29 29 29 32 32 32 32 30 30 30 30 30 30 31 31 31 31 34 34 34 34 35 35 35 10 19 38 29 51 52 35 15 16 20 21 37 20 21 37 25 44 45 25 44 45 4 26 4 26 1 19 38 1 19 38 3 19 3 19 29 32 29 32 17 42 43 17 42 43 17 42 43 20 46 47 20 46 47 20 46 47 18 24 39 18 24 39 7 34 7 34 33 35 15 34 14 34 2 16 2 15 2 15 23 40 41 23 40 41 23 40 41 11 42 43 11 42 43 11 42 43 12 24 39 12 24 39 12 24 39 3 10 3 10 3 10 11 46 47 11 46 47 11 46 47 26 48 49 26 48 49 26 48 49 27 31 27 31 27 31 4 9 4 9 29 53 29 53 30 31 30 31 5 6 5 6 1 51 52 1 51 52 26 53 26 53 13 35 13 35 14 15 14 56.0293 155.35 -69.2214 -49.5229 -170.6762 76.0527 -0.5259 0.4122 -178.6859 -129.1766 110.5242 -8.8848 61.5006 -58.7987 -178.2076 174.0058 -66.0781 53.2373 -15.674 104.2421 -136.4424 -2.9804 175.823 -173.1804 5.623 114.1568 -5.4322 -122.5517 -45.6378 -165.2268 77.6538 -171.812 5.4593 -13.7551 163.5163 8.8737 -171.6252 -142.981 36.5201 -30.9742 86.9369 -153.7569 -153.5302 -35.6191 83.6871 88.2227 -153.8661 -34.56 39.4246 -77.5994 162.382 161.7588 44.7348 -75.2838 -80.0067 162.9693 42.9507 122.2134 -138.4177 -8.5314 -57.3737 41.9953 171.8815 -1.1188 179.0836 178.4875 -1.3101 1.402 -178.3956 0.5735 -179.2785 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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|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 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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1.84172 1.85140 1.85574 1.85764 1.86411 1.86916 1.87578 1.87752 1.87952 1.89105 1.89876 1.90219 1.91333 1.91896 1.92469 1.92707 1.93112 1.93395 1.93990 1.94936 1.95679 1.95963 1.97092 1.97470 1.97889 1.98334 1.98397 2.00793 2.01332 2.02410 2.02532 2.04224 2.04602 2.04846 2.05779 2.05889 2.06317 2.07352 2.08540 2.09597 2.09925 2.10785 2.11412 2.11465 2.11974 2.12799 2.14635 2.15411 2.15791 2.17616 2.18374 2.18590 2.19462 2.20055 2.20999 2.21347 2.21941 2.22846 2.23561 2.24601 2.25531 2.25840 2.26301 2.27378 2.27574 2.28781 2.29458 2.29928 2.31122 2.31643 2.31842 2.32655 2.33860 2.34604 2.34800 2.35562 2.35661 2.37475 2.38162 2.39174 2.40731 2.41112 2.41667 2.42878 2.43912 2.44225 2.45065 2.45521 2.45638 2.47215 2.47440 2.47682 2.48574 2.48855 2.49455 2.50774 2.51951 2.52117 2.53430 2.53479 2.53642 2.54830 2.55605 2.56830 2.57070 2.57527 2.58195 2.59044 2.59600 2.60702 2.61358 2.61958 2.63395 2.63696 2.64432 2.65637 2.66257 2.67234 2.67459 2.68192 2.68527 2.69189 2.69800 2.71082 2.71419 2.71791 2.73325 2.74084 2.74264 2.75706 2.76162 2.76600 2.77650 2.77793 2.79762 2.80115 2.80343 2.80973 2.82371 2.83568 2.84015 2.84551 2.85953 2.87017 2.87484 2.88065 2.89252 2.90115 2.91439 2.92641 2.94040 2.94910 2.95466 2.95600 2.98007 2.99428 3.00573 3.02294 3.03753 3.04335 3.05871 3.08034 3.10359 3.14735 3.17202 3.18831 3.21967 3.22950 3.24007 3.25540 3.25999 3.26497 3.27548 3.29954 3.30509 3.30685 3.32374 3.34141 3.35095 3.37257 3.42536 3.42759 3.43529 3.45236 3.46838 3.47820 3.51040 3.52824 3.53140 3.53985 3.54318 3.56301 3.75089 3.91879 3.94385 3.95710 3.98720 4.02223 4.03106 4.04737 4.08981 4.11915 4.13667 4.14993 4.15518 4.15667 4.16658 4.22424 4.25978 4.27320 4.29143 4.36620 4.37459 4.38342 4.40507 4.43949 4.46113 4.51436 4.52587 4.56741 4.59466 4.62727 4.67343 4.72429 4.73564 4.76834 4.82579 4.96113 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 48 49 50 51 52 53 54 55 56 57 58 S S O O O O O O N N N N N N N N 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 0.075519 0.372822 -0.504237 -0.607739 -0.642290 -0.639300 -0.613011 -0.423316 -0.485057 -0.483538 -0.481658 -0.543444 -0.204674 -0.578222 -0.553872 -0.617511 0.050324 -0.062202 -0.066572 -0.201454 -0.083880 -0.040749 -0.093925 0.592440 -0.270706 0.056042 0.594284 0.223787 0.028010 -0.410966 -0.160547 0.503062 0.669366 0.159285 0.481908 0.321908 0.157075 0.172832 0.179674 0.150937 0.158572 0.193746 0.184848 0.132364 0.131475 0.192489 0.176220 0.152462 0.127770 0.376086 0.161799 0.168911 0.098189 0.324370 0.326451 0.322947 0.373112 0.377784 -0.00000 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -44.9510 -13.2133 -11.9623 48.3558 21.4729 -199.6745 -239.7340 7.7612 60.3952 -22.9185 160.7848 -60.3626 -100.4222 7.7612 60.3952 -22.9185 -4136.0199 -139.9050 -23.6395 -44.9099 -290.7854 -136.6058 -155.7032 -35.8521 9.7634 -57.0319 -13298.9021 -3520.0982 -2087.3855 3599.5312 4444.1850 537.6114 -327.4280 706.5918 -104.7022 -5351.4429 -5452.0938 -1041.2039 273.3168 405.8743 375.0613 0 -2461.0989523 2.703E-9 8.88E-7 119.5395518,-44.878131,-74.6614209,5.770295,44.9023454,-17.0393155 C01 [X(C20H22N8O6S2)] -17.6850992 -5.1985036 -4.7063417 -0.000000039 -0.000001409 0.000000206 -0.000000462 -0.000000507 0.000002293 0.000000184 0.000000943 -0.000001009 -0.000000176 0.000000269 0.000000856 0.000000326 0.000001147 -0.000001697 0.000000058 0.000001621 -0.000000382 0.000000274 -0.000001519 -0.000001298 0.000000152 -0.000002124 -0.000000800 0.000000092 0.000000844 -0.000000398 0.000000212 -0.000000071 -0.000000841 -0.000000138 0.000000298 0.000000664 0.000000075 -0.000000774 -0.000000406 -0.000000034 -0.000001819 -0.000000058 -0.000000336 -0.000000923 0.000001388 -0.000000236 -0.000000551 0.000001110 -0.000000476 0.000000050 0.000002316 -0.000000022 0.000000960 -0.000000220 0.000000168 -0.000000971 -0.000000814 0.000000218 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Gaussian 16 GINC-ART GMALLOCI remark line goes here ES64L-G16RevA.03 RB3LYP 6-31G(d,p) Freq #N Geom=AllCheck Guess=TCheck SCRF=Check Test GenChk RB3LYP/6-31G(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 0 0 0 0 0 0 0 0 0 0 0 512.3939999999998 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remark line goes here Redundant internal coordinates found in file. (old form). Charge = 0 Multiplicity = 1 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 1 1 2 2 3 4 5 6 7 8 8 9 9 9 10 10 10 11 11 11 11 12 12 12 13 14 15 15 16 16 16 17 17 17 18 18 19 19 20 20 20 21 21 22 22 22 23 23 25 25 25 26 26 28 28 29 29 30 30 31 33 34 18 30 14 36 24 27 32 32 33 13 58 17 22 27 18 24 28 21 23 50 57 19 33 54 34 35 35 36 36 55 56 20 21 37 19 38 24 39 23 40 41 42 43 25 44 45 46 47 26 48 49 27 31 29 32 30 31 51 52 53 34 35 1.8282 1.8452 1.6918 1.7608 1.2097 1.2387 1.2542 1.2532 1.2529 1.3469 1.0105 1.4532 1.4687 1.3699 1.4632 1.3889 1.4001 1.5119 1.5156 1.0231 1.0237 1.4343 1.3474 1.0263 1.3046 1.3158 1.374 1.3209 1.3385 1.0075 1.0096 1.5617 1.5565 1.0902 1.5621 1.0924 1.5541 1.0907 1.5253 1.093 1.0898 1.0874 1.0883 1.5436 1.0975 1.0937 1.0885 1.089 1.5039 1.0955 1.0921 1.4868 1.35 1.3663 1.5462 1.5291 1.4606 1.0935 1.0956 1.0912 1.5043 1.4915 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 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 18 14 17 17 22 18 18 24 21 21 21 23 23 50 19 19 33 8 2 35 36 36 55 9 9 9 20 20 21 1 1 1 10 10 19 12 12 12 18 18 24 17 17 17 23 23 40 11 11 11 17 17 42 9 9 9 25 25 44 11 11 11 20 20 46 3 3 10 22 22 22 26 26 48 25 25 27 4 4 9 10 10 29 28 28 30 1 1 1 29 29 51 26 26 29 5 5 6 7 7 12 13 13 33 14 14 15 2 2 15 1 2 9 9 9 10 10 10 11 11 11 11 11 11 12 12 12 13 14 15 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 22 22 22 23 23 23 23 23 23 24 24 24 25 25 25 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 30 30 30 30 30 30 31 31 31 32 32 32 33 33 33 34 34 34 35 35 35 36 36 36 30 36 22 27 27 24 28 28 23 50 57 50 57 57 33 54 54 34 35 36 55 56 56 20 21 37 21 37 37 10 19 38 19 38 38 18 24 39 24 39 39 23 40 41 40 41 41 17 42 43 42 43 43 25 44 45 44 45 45 20 46 47 46 47 47 10 19 19 26 48 49 48 49 49 27 31 31 9 26 26 29 32 32 30 31 31 29 51 52 51 52 52 29 53 53 6 28 28 12 34 34 33 35 35 15 34 34 15 16 16 92.296 91.8927 122.4424 123.5221 113.2736 95.0138 127.8928 133.1637 106.1397 111.787 110.3826 112.1367 110.025 106.4204 122.2692 121.349 116.3806 119.6798 107.5975 109.9129 121.8364 118.8933 118.1226 114.7151 112.3672 106.0183 105.35 108.9678 109.3572 110.2586 118.2579 109.7276 88.2752 113.1284 115.521 119.3666 116.1267 108.8307 84.9184 112.3391 113.7527 106.0039 109.5454 111.4539 110.4706 111.2235 108.1454 104.9593 106.8748 108.9898 110.9672 114.245 110.3926 103.5952 110.2713 110.3914 111.9188 112.5925 108.0466 102.7473 106.36 109.0076 111.2889 115.4556 111.2301 133.3952 135.2194 91.3184 104.2082 110.73 112.9429 108.9368 113.3452 106.6848 107.6648 133.0648 119.2323 124.4391 127.933 107.6155 118.73 113.4414 127.8263 123.0041 125.6054 111.3895 116.8583 104.7155 107.7223 109.3673 110.9076 106.6584 132.4795 113.1312 114.1889 129.5796 113.8977 116.5226 122.0932 119.2251 118.6814 122.0822 114.4668 123.4507 119.8991 120.5453 119.5555 110.6944 124.9444 124.3546 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A111 A112 13 13 8 8 58 58 5 5 -1 -2 107.4005 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 191.2712 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 30 30 30 18 18 18 36 14 14 22 22 22 27 27 27 17 17 17 27 27 27 17 17 22 22 24 24 24 28 28 28 18 18 28 28 18 18 24 24 23 23 23 50 50 50 57 57 57 21 21 21 50 50 50 57 57 57 33 33 33 54 54 54 19 19 54 54 8 8 2 2 36 36 35 35 55 55 56 56 9 9 9 21 21 21 37 37 37 9 9 9 20 20 20 37 37 37 1 1 1 10 10 10 38 38 38 12 12 18 18 39 39 17 17 17 40 40 40 41 41 41 9 9 9 44 44 44 45 45 45 22 22 48 48 49 49 25 25 31 31 25 25 27 27 10 10 32 32 10 10 29 29 28 28 28 31 31 31 28 28 30 30 7 7 12 12 13 13 33 33 1 1 1 1 1 1 2 2 2 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 13 13 14 14 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 22 22 22 22 22 22 22 22 22 25 25 25 25 25 25 26 26 26 26 26 26 26 26 28 28 28 28 28 28 28 28 29 29 29 29 29 29 29 29 29 29 33 33 33 33 34 34 34 34 18 18 18 30 30 30 14 36 36 17 17 17 17 17 17 22 22 22 22 22 22 27 27 27 27 18 18 18 18 18 18 24 24 24 24 28 28 28 28 21 21 21 21 21 21 21 21 21 23 23 23 23 23 23 23 23 23 19 19 19 19 19 19 33 33 33 33 34 34 35 35 35 35 36 36 36 36 36 36 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 21 19 19 19 19 19 19 19 19 19 24 24 24 24 24 24 23 23 23 23 23 23 23 23 23 25 25 25 25 25 25 25 25 25 26 26 26 26 26 26 27 27 27 27 31 31 31 31 29 29 29 29 32 32 32 32 30 30 30 30 30 30 31 31 31 31 34 34 34 34 35 35 35 35 10 19 38 29 51 52 35 15 16 20 21 37 20 21 37 25 44 45 25 44 45 4 26 4 26 1 19 38 1 19 38 3 19 3 19 29 32 29 32 17 42 43 17 42 43 17 42 43 20 46 47 20 46 47 20 46 47 18 24 39 18 24 39 7 34 7 34 33 35 15 34 14 34 2 16 2 15 2 15 23 40 41 23 40 41 23 40 41 11 42 43 11 42 43 11 42 43 12 24 39 12 24 39 12 24 39 3 10 3 10 3 10 11 46 47 11 46 47 11 46 47 26 48 49 26 48 49 26 48 49 27 31 27 31 27 31 4 9 4 9 29 53 29 53 30 31 30 31 5 6 5 6 1 51 52 1 51 52 26 53 26 53 13 35 13 35 14 15 14 15 56.0293 155.35 -69.2214 -49.5229 -170.6762 76.0527 -0.5259 0.4122 -178.6859 -129.1766 110.5242 -8.8848 61.5006 -58.7987 -178.2076 174.0058 -66.0781 53.2373 -15.674 104.2421 -136.4424 -2.9804 175.823 -173.1804 5.623 114.1568 -5.4322 -122.5517 -45.6378 -165.2268 77.6538 -171.812 5.4593 -13.7551 163.5163 8.8737 -171.6252 -142.981 36.5201 -30.9742 86.9369 -153.7569 -153.5302 -35.6191 83.6871 88.2227 -153.8661 -34.56 39.4246 -77.5994 162.382 161.7588 44.7348 -75.2838 -80.0067 162.9693 42.9507 122.2134 -138.4177 -8.5314 -57.3737 41.9953 171.8815 -1.1188 179.0836 178.4875 -1.3101 1.402 -178.3956 0.5735 -179.2785 -0.2708 179.5827 -0.1689 178.9356 -7.0382 173.9838 -174.5599 6.4621 -110.5183 130.2791 10.6367 13.5899 -105.6127 134.7449 130.8351 11.6326 -108.0099 135.9057 20.8083 -104.7717 10.328 -104.7695 129.6506 -106.653 138.2496 12.6696 9.9092 -107.3002 139.081 122.0634 4.8539 -108.7648 -123.0336 119.757 6.1382 51.7573 -125.4279 172.0719 -5.1133 -75.7325 107.0823 -32.0772 81.3816 -150.6005 86.5149 -160.0262 -32.0083 -153.3806 -39.9218 88.0961 18.7449 -98.2405 142.1849 -100.0409 142.9737 23.3991 138.0132 21.0278 -98.5467 -16.291 161.3695 101.9314 -80.408 -139.4695 38.1911 -173.9306 7.3206 8.0278 -170.721 -2.3663 -176.8082 175.0792 0.6373 3.1351 -176.4775 -176.2854 4.1019 53.646 -126.4954 -126.9078 52.9507 24.815 143.489 -99.1523 -155.5233 -36.8492 80.5095 33.9789 -151.6245 -145.6722 28.7244 -4.0641 175.715 175.7394 -4.4815 11.739 -168.1135 -168.0554 12.0921 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00078 0.00092 0.00098 0.00175 0.00239 0.00323 0.00349 0.00372 0.00427 0.00457 0.00598 0.00729 0.00761 0.00939 0.00971 0.01003 0.01100 0.01419 0.01508 0.01571 0.01814 0.01850 0.02047 0.02274 0.02519 0.02900 0.02944 0.03081 0.03240 0.03287 0.03457 0.03605 0.03684 0.03843 0.03862 0.03970 0.04024 0.04217 0.04333 0.04357 0.04390 0.04468 0.04488 0.04560 0.04772 0.04897 0.05003 0.05066 0.05177 0.05330 0.05490 0.05529 0.05673 0.05761 0.06106 0.06289 0.06309 0.06540 0.06867 0.06971 0.06989 0.07067 0.07407 0.07436 0.08586 0.08961 0.09208 0.09276 0.09447 0.10058 0.10155 0.10697 0.10886 0.11258 0.12350 0.12596 0.13110 0.13295 0.14782 0.15303 0.15408 0.15586 0.16082 0.16400 0.16779 0.17349 0.17757 0.17950 0.18355 0.18875 0.19346 0.19632 0.20189 0.20402 0.20582 0.20870 0.21002 0.21323 0.21721 0.21958 0.22213 0.22664 0.22793 0.23358 0.23592 0.23775 0.24348 0.24765 0.25699 0.25815 0.25900 0.26291 0.26544 0.27841 0.28206 0.28323 0.28492 0.29893 0.30074 0.31283 0.31340 0.32562 0.32779 0.32976 0.33142 0.33249 0.33426 0.34106 0.34152 0.34225 0.34360 0.34469 0.34833 0.34866 0.34964 0.35268 0.35356 0.35384 0.35736 0.35907 0.35977 0.36329 0.37206 0.37359 0.38570 0.39246 0.43090 0.43441 0.43793 0.45189 0.46746 0.47503 0.48506 0.49183 0.49714 0.52879 0.53673 0.57852 0.59249 0.59998 0.60838 0.72437 0.75571 0.76698 0.77221 0.84550 0.85814 1.42543 Angle between quadratic step and forces= 81.14 degrees. 1 2 0.00000171 0.00000000 0.00000000 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 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 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 3.45476 3.48686 3.19704 3.32752 2.28597 2.34085 2.37012 2.36825 2.36763 2.54518 1.90959 2.74615 2.77552 2.58871 2.76511 2.62471 2.64585 2.85712 2.86411 1.93341 1.93443 2.71047 2.54622 1.93937 2.46534 2.48657 2.59647 2.49606 2.52943 1.90396 1.90790 2.95118 2.94142 2.06013 2.95201 2.06432 2.93683 2.06120 2.88246 2.06556 2.05946 2.05493 2.05658 2.91690 2.07394 2.06672 2.05687 2.05792 2.84195 2.07019 2.06380 2.80965 2.55107 2.58198 2.92186 2.88949 2.76015 2.06645 2.07032 2.06216 2.84267 2.81844 1.61087 1.60383 2.13702 2.15587 1.97700 1.65830 2.23215 2.32415 1.85249 1.95105 1.92654 1.95715 1.92030 1.85739 2.13400 2.11794 2.03122 2.08881 1.87793 1.91834 2.12645 2.07508 2.06163 2.00216 1.96118 1.85037 1.83870 1.90185 1.90864 1.92438 2.06399 1.91511 1.54069 1.97446 2.01622 2.08334 2.02679 1.89945 1.48211 1.96069 1.98536 1.85012 1.91193 1.94524 1.92808 1.94122 1.88749 1.83189 1.86532 1.90223 1.93674 1.99395 1.92671 1.80808 1.92460 1.92669 1.95335 1.96511 1.88577 1.79328 1.85633 1.90254 1.94236 2.01508 1.94133 2.32818 2.36002 1.59381 1.81878 1.93260 1.97123 1.90131 1.97825 1.86200 1.87910 2.32242 2.08100 2.17187 2.23285 1.87824 2.07223 1.97993 2.23099 2.14683 2.19223 1.94411 2.03956 1.82763 1.88011 1.90882 1.93570 1.86154 2.31220 1.97451 1.99297 2.26159 1.98789 2.03370 2.13093 2.08087 2.07138 2.13074 1.99782 2.15462 2.09263 2.10391 2.08664 1.93198 2.18069 2.17040 1.87449 3.33831 0.97790 2.71137 -1.20814 -0.86434 -2.97886 1.32737 -0.00918 0.00719 -3.11866 -2.25456 1.92901 -0.15507 1.07339 -1.02623 -3.11031 3.03697 -1.15328 0.92917 -0.27356 1.81937 -2.38137 -0.05202 3.06869 -3.02257 0.09814 1.99241 -0.09481 -2.13893 -0.79653 -2.88375 1.35531 -2.99869 0.09528 -0.24007 2.85390 0.15487 -2.99542 -2.49549 0.63740 -0.54060 1.51734 -2.68356 -2.67961 -0.62167 1.46062 1.53978 -2.68547 -0.60319 0.68809 -1.35436 2.83410 2.82322 0.78077 -1.31395 -1.39638 2.84435 0.74963 2.13303 -2.41584 -0.14890 -1.00136 0.73296 2.99990 -0.01953 3.12560 3.11519 -0.02286 0.02447 -3.11359 0.01001 -3.12900 -0.00473 3.13431 -0.00295 3.12301 -0.12284 3.03659 -3.04665 0.11278 -1.92891 2.27380 0.18564 0.23719 -1.84329 2.35174 2.28350 0.20303 -1.88513 2.37200 0.36317 -1.82861 0.18026 -1.82857 2.26283 -1.86145 2.41291 0.22113 0.17295 -1.87274 2.42742 2.13041 0.08472 -1.89830 -2.14734 2.09015 0.10713 0.90334 -2.18913 3.00322 -0.08924 -1.32178 1.86894 -0.55985 1.42038 -2.62847 1.50997 -2.79298 -0.55865 -2.67700 -0.69677 1.53757 0.32716 -1.71462 2.48160 -1.74604 2.49536 0.40839 2.40879 0.36701 -1.71996 -0.28433 2.81643 1.77904 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2.37200 0.36317 -1.82861 0.18026 -1.82857 2.26283 -1.86145 2.41291 0.22113 0.17295 -1.87274 2.42742 2.13041 0.08472 -1.89830 -2.14734 2.09015 0.10713 0.90333 -2.18913 3.00322 -0.08924 -1.32178 1.86894 -0.55985 1.42038 -2.62847 1.50997 -2.79298 -0.55865 -2.67700 -0.69677 1.53757 0.32716 -1.71462 2.48160 -1.74604 2.49536 0.40839 2.40879 0.36700 -1.71996 -0.28433 2.81643 1.77904 -1.40338 -2.43420 0.66656 -3.03566 0.12777 0.14011 -2.97964 -0.04130 -3.08588 3.05571 0.01112 0.05472 -3.08011 -3.07676 0.07159 0.93630 -2.20776 -2.21496 0.92416 0.43310 2.50436 -1.73053 -2.71439 -0.64314 1.40516 0.59305 -2.64635 -2.54246 0.50134 -0.07093 3.06680 3.06723 -0.07822 0.20489 -2.93413 -2.93312 0.21105 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000000 0.000000 0.000010 0.000002 0.000015 0.000010 0.000060 0.000040 YES YES YES YES -4.488981e-13 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 1 1 2 2 3 4 5 6 7 8 8 9 9 9 10 10 10 11 11 11 11 12 12 12 13 14 15 15 16 16 16 17 17 17 18 18 19 19 20 20 20 21 21 22 22 22 23 23 25 25 25 26 26 28 28 29 29 30 30 31 33 34 18 30 14 36 24 27 32 32 33 13 58 17 22 27 18 24 28 21 23 50 57 19 33 54 34 35 35 36 36 55 56 20 21 37 19 38 24 39 23 40 41 42 43 25 44 45 46 47 26 48 49 27 31 29 32 30 31 51 52 53 34 35 1.8282 1.8452 1.6918 1.7608 1.2097 1.2387 1.2542 1.2532 1.2529 1.3469 1.0105 1.4532 1.4687 1.3699 1.4632 1.3889 1.4001 1.5119 1.5156 1.0231 1.0237 1.4343 1.3474 1.0263 1.3046 1.3158 1.374 1.3209 1.3385 1.0075 1.0096 1.5617 1.5565 1.0902 1.5621 1.0924 1.5541 1.0907 1.5253 1.093 1.0898 1.0874 1.0883 1.5436 1.0975 1.0937 1.0885 1.089 1.5039 1.0955 1.0921 1.4868 1.35 1.3663 1.5462 1.5291 1.4606 1.0935 1.0956 1.0912 1.5043 1.4915 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 18 14 17 17 22 18 18 24 21 21 21 23 23 50 19 19 33 8 2 35 36 36 55 9 9 9 20 20 21 1 1 1 10 10 19 12 12 12 18 18 24 17 17 17 23 23 40 11 11 11 17 17 42 9 9 9 25 25 44 11 11 11 20 20 46 3 3 10 22 22 22 26 26 48 25 25 27 4 4 9 10 10 29 28 28 30 1 1 1 29 29 51 26 26 29 5 5 6 7 7 12 13 13 33 14 14 15 2 2 15 1 2 9 9 9 10 10 10 11 11 11 11 11 11 12 12 12 13 14 15 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 22 22 22 23 23 23 23 23 23 24 24 24 25 25 25 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 30 30 30 30 30 30 31 31 31 32 32 32 33 33 33 34 34 34 35 35 35 36 36 36 30 36 22 27 27 24 28 28 23 50 57 50 57 57 33 54 54 34 35 36 55 56 56 20 21 37 21 37 37 10 19 38 19 38 38 18 24 39 24 39 39 23 40 41 40 41 41 17 42 43 42 43 43 25 44 45 44 45 45 20 46 47 46 47 47 10 19 19 26 48 49 48 49 49 27 31 31 9 26 26 29 32 32 30 31 31 29 51 52 51 52 52 29 53 53 6 28 28 12 34 34 33 35 35 15 34 34 15 16 16 92.296 91.8927 122.4424 123.5221 113.2736 95.0138 127.8928 133.1637 106.1397 111.787 110.3826 112.1367 110.025 106.4204 122.2692 121.349 116.3806 119.6798 107.5975 109.9129 121.8364 118.8933 118.1226 114.7151 112.3672 106.0183 105.35 108.9678 109.3572 110.2586 118.2579 109.7276 88.2752 113.1284 115.521 119.3666 116.1267 108.8307 84.9184 112.3391 113.7527 106.0039 109.5454 111.4539 110.4706 111.2235 108.1454 104.9593 106.8748 108.9898 110.9672 114.245 110.3926 103.5952 110.2713 110.3914 111.9188 112.5925 108.0466 102.7473 106.36 109.0076 111.2889 115.4556 111.2301 133.3952 135.2194 91.3184 104.2082 110.73 112.9429 108.9368 113.3452 106.6848 107.6648 133.0648 119.2323 124.4391 127.933 107.6155 118.73 113.4414 127.8263 123.0041 125.6054 111.3895 116.8583 104.7155 107.7223 109.3673 110.9076 106.6584 132.4795 113.1312 114.1889 129.5796 113.8977 116.5226 122.0932 119.2251 118.6814 122.0822 114.4668 123.4507 119.8991 120.5453 119.5555 110.6944 124.9444 124.3546 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A111 13 8 58 5 -1 107.4005 -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 30 30 30 18 18 18 36 14 14 22 22 22 27 27 27 17 17 17 27 27 27 17 17 22 22 24 24 24 28 28 28 18 18 28 28 18 18 24 24 23 23 23 50 50 50 57 57 57 21 21 21 50 50 50 57 57 57 33 33 33 54 54 54 19 19 54 54 8 8 2 2 36 36 35 35 55 55 56 56 9 9 9 21 21 21 37 37 37 9 9 9 20 20 20 37 37 37 1 1 1 10 10 10 38 38 38 12 12 18 18 39 39 17 17 17 40 40 40 41 41 41 9 9 9 44 44 44 45 45 45 22 22 48 48 49 49 25 25 31 31 25 25 27 27 10 10 32 32 10 10 29 29 28 28 28 31 31 31 28 28 30 30 7 7 12 12 13 13 33 1 1 1 1 1 1 2 2 2 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 13 13 14 14 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 22 22 22 22 22 22 22 22 22 25 25 25 25 25 25 26 26 26 26 26 26 26 26 28 28 28 28 28 28 28 28 29 29 29 29 29 29 29 29 29 29 33 33 33 33 34 34 34 18 18 18 30 30 30 14 36 36 17 17 17 17 17 17 22 22 22 22 22 22 27 27 27 27 18 18 18 18 18 18 24 24 24 24 28 28 28 28 21 21 21 21 21 21 21 21 21 23 23 23 23 23 23 23 23 23 19 19 19 19 19 19 33 33 33 33 34 34 35 35 35 35 36 36 36 36 36 36 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 21 21 21 19 19 19 19 19 19 19 19 19 24 24 24 24 24 24 23 23 23 23 23 23 23 23 23 25 25 25 25 25 25 25 25 25 26 26 26 26 26 26 27 27 27 27 31 31 31 31 29 29 29 29 32 32 32 32 30 30 30 30 30 30 31 31 31 31 34 34 34 34 35 35 35 10 19 38 29 51 52 35 15 16 20 21 37 20 21 37 25 44 45 25 44 45 4 26 4 26 1 19 38 1 19 38 3 19 3 19 29 32 29 32 17 42 43 17 42 43 17 42 43 20 46 47 20 46 47 20 46 47 18 24 39 18 24 39 7 34 7 34 33 35 15 34 14 34 2 16 2 15 2 15 23 40 41 23 40 41 23 40 41 11 42 43 11 42 43 11 42 43 12 24 39 12 24 39 12 24 39 3 10 3 10 3 10 11 46 47 11 46 47 11 46 47 26 48 49 26 48 49 26 48 49 27 31 27 31 27 31 4 9 4 9 29 53 29 53 30 31 30 31 5 6 5 6 1 51 52 1 51 52 26 53 26 53 13 35 13 35 14 15 14 56.0293 155.35 -69.2214 -49.5229 -170.6762 76.0527 -0.5259 0.4122 -178.6859 -129.1766 110.5242 -8.8848 61.5006 -58.7987 -178.2076 174.0058 -66.0781 53.2373 -15.674 104.2421 -136.4424 -2.9804 175.823 -173.1804 5.623 114.1568 -5.4322 -122.5517 -45.6378 -165.2268 77.6538 -171.812 5.4593 -13.7551 163.5163 8.8737 -171.6252 -142.981 36.5201 -30.9742 86.9369 -153.7569 -153.5302 -35.6191 83.6871 88.2227 -153.8661 -34.56 39.4246 -77.5994 162.382 161.7588 44.7348 -75.2838 -80.0067 162.9693 42.9507 122.2134 -138.4177 -8.5314 -57.3737 41.9953 171.8815 -1.1188 179.0836 178.4875 -1.3101 1.402 -178.3956 0.5735 -179.2785 -0.2708 179.5827 -0.1689 178.9356 -7.0382 173.9838 -174.5599 6.4621 -110.5183 130.2791 10.6367 13.5899 -105.6127 134.7449 130.8351 11.6326 -108.0099 135.9057 20.8083 -104.7717 10.328 -104.7695 129.6506 -106.653 138.2496 12.6696 9.9092 -107.3002 139.081 122.0634 4.8539 -108.7648 -123.0336 119.757 6.1382 51.7573 -125.4279 172.0719 -5.1133 -75.7325 107.0823 -32.0772 81.3816 -150.6005 86.5149 -160.0262 -32.0083 -153.3806 -39.9218 88.0961 18.7449 -98.2405 142.1849 -100.0409 142.9737 23.3991 138.0132 21.0278 -98.5467 -16.291 161.3695 101.9314 -80.408 -139.4695 38.1911 -173.9306 7.3206 8.0278 -170.721 -2.3663 -176.8082 175.0792 0.6373 3.1351 -176.4775 -176.2854 4.1019 53.646 -126.4954 -126.9078 52.9507 24.815 143.489 -99.1523 -155.5233 -36.8492 80.5095 33.9789 -151.6245 -145.6722 28.7244 -4.0641 175.715 175.7394 -4.4815 11.739 -168.1135 -168.0554 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 6-31G(d,p) (6D, 7F) 58 58 58 1.00e+00 60 F 0.2222172 0.0351550 0.0331387 1 -2461.09895225 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=11111111111111111111111111111111111111111111111111 IDoAtm=11111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 78.3553, EpsInf= 1.7778) Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. CalDSu exits because no D1Ps are significant. CalDSu exits because no D1Ps are significant. CalDSu exits because no D1Ps are significant. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. There are 177 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 177 vectors produced by pass 0 Test12= 7.21D-14 1.00D-09 XBig12= 5.81D+02 1.30D+01. AX will form 1 AO Fock derivatives at one time. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. 177 vectors produced by pass 1 Test12= 7.21D-14 1.00D-09 XBig12= 1.05D+02 2.04D+00. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. 176 vectors produced by pass 2 Test12= 7.21D-14 1.00D-09 XBig12= 9.67D-01 9.99D-02. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. 174 vectors produced by pass 3 Test12= 7.21D-14 1.00D-09 XBig12= 6.05D-03 7.28D-03. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. 174 vectors produced by pass 4 Test12= 7.21D-14 1.00D-09 XBig12= 1.77D-05 4.40D-04. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. 142 vectors produced by pass 5 Test12= 7.21D-14 1.00D-09 XBig12= 2.80D-08 2.08D-05. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. 49 vectors produced by pass 6 Test12= 7.21D-14 1.00D-09 XBig12= 3.21D-11 5.53D-07. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. 3 vectors produced by pass 7 Test12= 7.21D-14 1.00D-09 XBig12= 3.41D-14 1.24D-08. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. InvSVY: IOpt=1 It= 1 EMax= 1.78D-14 Solved reduced A of dimension 1072 with 177 vectors. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 58 ShMem 1 Linda. Isotropic polarizability for W= 0.000000 444.15 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 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0.52942 0.53664 0.54003 0.54326 0.54474 0.54975 0.55096 0.55852 0.56912 0.57528 0.58176 0.58602 0.59018 0.59590 0.60097 0.60255 0.60586 0.61144 0.62041 0.62593 0.62643 0.63286 0.64047 0.64580 0.64966 0.65136 0.65574 0.66258 0.66525 0.67216 0.67424 0.67806 0.68507 0.68857 0.69486 0.69686 0.70474 0.70906 0.71691 0.72050 0.72613 0.73162 0.74428 0.75267 0.75403 0.76055 0.77234 0.77422 0.77761 0.78096 0.78556 0.78723 0.78989 0.79441 0.79883 0.80189 0.80799 0.81040 0.81403 0.82122 0.82842 0.83063 0.83435 0.83977 0.84296 0.84359 0.84660 0.85520 0.85617 0.86262 0.86636 0.87365 0.87531 0.88069 0.88372 0.88732 0.89218 0.89484 0.89954 0.90605 0.90746 0.90874 0.92315 0.92610 0.92793 0.93236 0.93359 0.94293 0.94607 0.94839 0.95192 0.95577 0.97263 0.97470 0.97647 0.98353 0.99085 1.00067 1.00516 1.01113 1.01636 1.02126 1.03170 1.04629 1.05504 1.06272 1.06822 1.07456 1.07721 1.08499 1.08512 1.09712 1.10421 1.10825 1.11119 1.12580 1.13557 1.14566 1.15443 1.16388 1.18135 1.18985 1.19629 1.20198 1.20462 1.20899 1.22738 1.24047 1.25365 1.26628 1.27119 1.27905 1.28777 1.29149 1.29425 1.30001 1.30565 1.32524 1.32673 1.33472 1.35221 1.37095 1.37272 1.38485 1.39504 1.40465 1.40619 1.41567 1.42334 1.42890 1.44412 1.44623 1.46251 1.46607 1.47264 1.48607 1.49065 1.49849 1.50745 1.51784 1.53733 1.54644 1.55849 1.56455 1.56990 1.58341 1.58547 1.59777 1.59983 1.61840 1.61942 1.62245 1.63147 1.63524 1.65362 1.66527 1.68130 1.68246 1.69276 1.70376 1.70978 1.71164 1.71699 1.72433 1.72987 1.73936 1.74047 1.74510 1.74721 1.75636 1.76362 1.77129 1.77412 1.77806 1.78476 1.79652 1.79736 1.81054 1.81940 1.82399 1.82947 1.83257 1.84172 1.85140 1.85574 1.85764 1.86411 1.86916 1.87578 1.87752 1.87952 1.89105 1.89876 1.90219 1.91333 1.91896 1.92469 1.92707 1.93112 1.93395 1.93990 1.94936 1.95679 1.95963 1.97092 1.97470 1.97889 1.98334 1.98397 2.00793 2.01332 2.02410 2.02532 2.04224 2.04602 2.04846 2.05779 2.05889 2.06317 2.07352 2.08540 2.09597 2.09925 2.10785 2.11412 2.11465 2.11974 2.12799 2.14635 2.15411 2.15791 2.17616 2.18374 2.18590 2.19462 2.20055 2.20999 2.21347 2.21941 2.22846 2.23561 2.24601 2.25531 2.25840 2.26301 2.27378 2.27574 2.28781 2.29458 2.29928 2.31122 2.31643 2.31842 2.32655 2.33860 2.34604 2.34800 2.35562 2.35661 2.37475 2.38162 2.39174 2.40731 2.41112 2.41667 2.42878 2.43912 2.44225 2.45065 2.45521 2.45638 2.47215 2.47440 2.47682 2.48574 2.48855 2.49455 2.50774 2.51951 2.52117 2.53430 2.53479 2.53642 2.54830 2.55605 2.56830 2.57070 2.57527 2.58195 2.59044 2.59600 2.60702 2.61358 2.61958 2.63395 2.63696 2.64432 2.65637 2.66257 2.67234 2.67459 2.68192 2.68527 2.69189 2.69800 2.71082 2.71419 2.71791 2.73325 2.74084 2.74264 2.75706 2.76162 2.76600 2.77650 2.77793 2.79762 2.80115 2.80343 2.80973 2.82371 2.83568 2.84015 2.84551 2.85953 2.87017 2.87484 2.88065 2.89252 2.90115 2.91439 2.92641 2.94040 2.94910 2.95466 2.95600 2.98007 2.99428 3.00573 3.02294 3.03753 3.04335 3.05871 3.08034 3.10359 3.14735 3.17202 3.18831 3.21967 3.22950 3.24007 3.25540 3.25999 3.26497 3.27548 3.29954 3.30509 3.30685 3.32374 3.34141 3.35095 3.37257 3.42536 3.42759 3.43529 3.45236 3.46838 3.47820 3.51040 3.52824 3.53140 3.53985 3.54318 3.56301 3.75089 3.91879 3.94385 3.95710 3.98720 4.02223 4.03106 4.04737 4.08981 4.11915 4.13667 4.14993 4.15518 4.15667 4.16658 4.22424 4.25978 4.27320 4.29143 4.36620 4.37459 4.38342 4.40507 4.43949 4.46113 4.51436 4.52587 4.56741 4.59466 4.62727 4.67343 4.72429 4.73564 4.76834 4.82579 4.96113 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 48 49 50 51 52 53 54 55 56 57 58 S S O O O O O O N N N N N N N N 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 0.075518 0.372821 -0.504237 -0.607738 -0.642291 -0.639299 -0.613011 -0.423316 -0.485056 -0.483538 -0.481658 -0.543444 -0.204675 -0.578222 -0.553871 -0.617511 0.050325 -0.062201 -0.066573 -0.201454 -0.083880 -0.040749 -0.093926 0.592439 -0.270706 0.056041 0.594283 0.223787 0.028010 -0.410966 -0.160547 0.503061 0.669365 0.159285 0.481908 0.321908 0.157075 0.172832 0.179673 0.150937 0.158572 0.193746 0.184848 0.132364 0.131475 0.192489 0.176220 0.152462 0.127770 0.376086 0.161799 0.168911 0.098189 0.324370 0.326451 0.322947 0.373112 0.377784 -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 23 24 25 26 27 28 29 30 31 32 33 34 35 36 S S O O O O O O N N N N N N N N C C C C C C C C C C C C C C C C C C C C 0.075518 0.372821 -0.504237 -0.607738 -0.642291 -0.639299 -0.613011 -0.045532 -0.485056 -0.483538 0.267541 -0.219074 -0.204675 -0.578222 -0.553871 0.031887 0.207400 0.110630 0.113101 0.108055 0.294714 0.223091 0.274784 0.592439 0.009527 0.056041 0.594283 0.223787 0.028010 -0.080256 -0.062358 0.503061 0.669365 0.159285 0.481908 0.321908 -0.00002 615.983 39.652 402.695 -27.834 -2.785 313.775 653.966 49.637 494.337 -27.961 -4.141 385.844 -0.0030 -0.0010 0.0011 4.1404 5.6212 8.9628 13.4882 14.8693 23.7270 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 13.2952 14.2428 23.4573 24.9385 27.8241 35.4249 53.1474 56.3041 64.6645 72.3803 76.9623 86.6799 103.6728 110.4512 124.4247 126.2001 131.0363 140.2088 149.2100 153.4942 167.8288 171.9197 183.1465 189.5514 221.8577 236.1681 256.8555 259.7991 265.4456 277.2046 288.3590 310.4998 331.5761 338.5249 347.2074 361.3500 391.5730 404.6602 420.8679 424.9773 428.3812 435.3127 451.3543 475.8620 485.8937 492.5916 509.1083 561.6201 568.4638 595.4198 608.1873 621.1393 629.0975 634.8076 650.5845 666.8035 686.9389 702.5027 713.5101 719.1144 731.1184 745.4274 753.5188 764.1380 772.1764 777.1945 781.5362 786.7685 790.8707 816.2245 831.3538 846.8470 870.4756 880.5407 886.3399 893.4336 898.2451 906.0742 924.3861 930.5235 944.4225 950.2613 975.8244 988.2102 998.8367 1007.3968 1026.2666 1043.7440 1055.2066 1059.0386 1068.4361 1087.2386 1105.7690 1121.4035 1126.6595 1142.1081 1165.8969 1177.5562 1199.2089 1200.7637 1210.9953 1215.3640 1220.0351 1226.7555 1234.6778 1257.0459 1268.5496 1275.9290 1296.5858 1299.2526 1306.3165 1310.9973 1314.8991 1320.1472 1326.9843 1334.2714 1355.5130 1357.2854 1377.1493 1378.6618 1384.1554 1390.2204 1412.2653 1414.9953 1416.2635 1421.3172 1462.2066 1472.7991 1482.1377 1488.1731 1491.4737 1497.3521 1508.9422 1514.2437 1536.5910 1564.0319 1593.8352 1604.4236 1621.5719 1655.0623 1663.6122 1692.1164 1702.8678 1721.9590 1729.8523 1839.3128 2960.6355 3032.9244 3055.2776 3063.9296 3093.4999 3096.2744 3103.4429 3112.0235 3123.7621 3127.8870 3127.9673 3135.9902 3140.1843 3141.0127 3163.8129 3208.5206 3211.6020 3325.5832 3457.0841 3519.0905 3607.5422 3737.7575 8.1360 7.4086 9.3693 5.1705 7.5041 7.2969 6.5689 4.5774 6.5483 6.2677 4.6205 8.0673 6.5742 8.7983 8.6481 5.9568 3.9421 3.4518 4.4169 1.2999 5.1590 3.1090 6.1446 6.8154 4.9427 6.5760 5.1141 4.7182 2.7899 6.3659 8.1642 8.0019 9.8363 5.5797 4.3527 5.1853 5.1061 7.2677 4.3309 1.6543 5.8482 3.9841 4.3102 7.4860 3.3247 3.6687 7.2952 3.5646 7.2906 3.1501 7.3003 5.2867 5.6770 6.1432 4.0018 3.6452 4.6158 4.9189 5.3415 5.3805 5.1802 6.4002 5.6210 5.9811 6.0417 6.2579 1.7377 3.5349 4.5529 6.8860 2.2631 1.9979 2.4835 4.7460 2.4830 2.1000 2.1151 1.1351 5.9057 3.2686 1.7394 3.0140 2.1645 3.2492 2.9297 4.6651 1.9965 2.5579 2.8924 2.1946 1.6431 3.3447 2.4562 4.4628 3.5720 2.5601 1.8104 3.0621 3.3820 1.7969 1.4909 1.3380 1.3177 1.4715 1.6974 1.3495 1.5172 1.2205 1.4820 1.2449 1.6408 2.1179 2.4847 1.6626 3.6588 1.2665 1.2827 2.1723 6.2726 7.2457 2.4013 1.7646 1.2932 1.2332 1.7368 1.5854 1.1024 1.4642 1.1938 3.7474 1.0940 1.1143 1.0974 6.2376 1.1274 2.8618 2.4281 7.8970 1.8550 1.8215 1.0725 8.4338 2.6979 12.6514 9.5759 12.9275 1.0720 1.0668 1.0637 1.0670 1.0674 1.0985 1.0877 1.1004 1.0988 1.0863 1.0855 1.0591 1.0850 1.0608 1.1017 1.1123 1.1118 1.0848 1.0550 1.0953 1.0465 1.1052 0.0008 0.0009 0.0030 0.0019 0.0034 0.0054 0.0109 0.0085 0.0161 0.0193 0.0161 0.0357 0.0416 0.0632 0.0789 0.0559 0.0399 0.0400 0.0579 0.0180 0.0856 0.0541 0.1214 0.1443 0.1433 0.2161 0.1988 0.1876 0.1158 0.2882 0.4000 0.4545 0.6372 0.3767 0.3092 0.3989 0.4613 0.7012 0.4520 0.1760 0.6323 0.4448 0.5173 0.9988 0.4625 0.5245 1.1141 0.6624 1.3881 0.6580 1.5910 1.2017 1.3238 1.4586 0.9979 0.9549 1.2833 1.4303 1.6022 1.6393 1.6314 2.0954 1.8804 2.0577 2.1225 2.2271 0.6254 1.2892 1.6778 2.7029 0.9216 0.8442 1.1087 2.1681 1.1493 0.9876 1.0055 0.5491 2.9732 1.6675 0.9141 1.6035 1.2144 1.8695 1.7221 2.7894 1.2389 1.6418 1.8975 1.4502 1.1051 2.3295 1.7695 3.3066 2.6714 1.9675 1.4499 2.5017 2.8655 1.5265 1.2882 1.1644 1.1556 1.3048 1.5245 1.2564 1.4385 1.1707 1.4679 1.2382 1.6497 2.1447 2.5311 1.7072 3.7960 1.3284 1.3886 2.3578 7.0091 8.1142 2.7106 2.0094 1.5197 1.4547 2.0525 1.8870 1.3887 1.8712 1.5451 4.8897 1.4338 1.4719 1.4722 8.4267 1.5684 4.1245 3.6342 11.9771 2.8739 2.9398 1.7488 14.2276 4.6092 22.1021 16.8829 25.7677 5.5364 5.7820 5.8500 5.9017 6.0186 6.2047 6.1721 6.2792 6.3170 6.2620 6.2577 6.1368 6.3038 6.1663 6.4972 6.7464 6.7562 7.0685 7.4287 7.9920 8.0243 9.0976 6.2665 1.4306 1.4052 1.6566 10.1798 15.6806 7.9292 4.7185 1.2426 2.7639 22.8175 10.0198 4.7274 1.0022 8.1726 1.3849 3.8159 3.4753 9.4234 338.4353 10.2667 1.9755 2.0948 8.4218 6.5567 6.5373 5.8798 14.7100 3.4609 37.8718 5.1144 7.6272 1.2570 19.6712 15.1856 15.7811 7.9130 41.7913 7.8969 22.6230 42.7503 5.6503 26.5155 14.4831 7.3423 7.0081 11.9758 32.5343 3.4014 3.7251 15.8390 12.2902 4.5834 2.3861 5.6189 11.9179 7.3927 18.3941 0.9852 9.8728 27.2893 11.5098 22.2179 51.7414 27.1682 18.1562 39.9450 80.9171 23.7864 16.5448 20.1325 11.1429 65.4819 21.6934 8.6605 5.4991 13.6620 148.9734 47.6573 16.6362 66.2938 3.4600 66.8521 24.7471 30.4081 41.3007 39.6807 11.7522 200.6404 46.0676 3.3640 43.0221 5.4665 224.7990 360.2128 57.2498 36.8782 7.5030 73.9430 21.7223 25.5593 60.6883 10.5381 26.2462 18.7510 43.2279 43.9543 37.7775 165.7084 25.3765 321.6487 126.5153 54.5023 81.1563 113.5855 8.4599 62.0267 486.0056 161.2359 109.9368 802.1435 108.1174 52.5217 2.9902 198.5325 22.4603 12.5490 122.3295 106.6669 62.7890 18.1049 38.3068 42.3767 113.8766 60.2485 531.4816 1262.4009 283.8413 182.0352 541.6282 106.5362 285.5200 125.1652 618.9930 220.7340 1154.1324 738.5580 86.4070 32.1780 1.2844 17.3632 39.8061 29.4009 6.0395 12.5244 25.3317 10.3777 13.3220 22.0407 6.1792 7.3771 0.6194 1.0909 953.6572 97.8879 114.7027 212.3704 130.8966 -0.02 -0.04 0.03 0.16 0.09 0.07 0.00 -0.11 0.04 -0.06 0.02 -0.01 0.01 -0.10 0.08 -0.03 -0.10 0.04 -0.08 -0.01 -0.10 -0.09 0.02 -0.22 -0.02 0.03 -0.01 -0.02 -0.07 0.05 -0.06 0.17 -0.11 -0.00 -0.02 0.01 -0.04 0.03 -0.16 0.09 0.08 -0.00 0.08 0.00 0.03 0.17 0.01 0.14 -0.02 0.08 -0.04 -0.03 -0.05 0.05 -0.02 -0.05 0.04 -0.08 0.07 -0.09 -0.00 0.13 -0.06 0.01 0.02 0.01 -0.10 0.12 -0.13 -0.01 -0.08 0.05 0.00 -0.03 0.03 -0.02 -0.03 0.03 -0.03 0.01 0.00 -0.01 -0.08 0.05 -0.02 -0.06 0.05 -0.02 -0.06 0.04 -0.03 -0.04 0.03 -0.01 -0.09 0.06 -0.03 -0.01 -0.06 -0.01 0.02 -0.08 0.06 0.04 -0.02 0.13 0.03 0.08 -0.01 0.08 -0.03 -0.04 -0.04 0.06 -0.05 -0.03 0.05 -0.08 0.08 -0.09 -0.10 0.02 -0.09 0.00 0.11 -0.05 0.05 0.17 -0.05 0.05 0.03 0.01 0.01 0.02 0.01 -0.12 0.10 -0.13 -0.13 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