Gaussian 16 GINC-ART GMALLOCI remark line goes here ES64L-G16RevA.03 17-Oct-2021 Gaussian 16 25-Dec-2016 ES64L-G16RevA.03 57 57 (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 492.40259999999967 0 1 AuxInfo=1/0/N:14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;8;9;10;11;12;13;3;4;5;6;7;1;2;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57/rA:57nS0S0O0O0O0O0O0N0N0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.184,.6571,.5705;4.3419,3.279,-1.4222;.7729,-3.89,-.2085;-1.724,-2.9492,-2.4026;-2.9582,-3.6015,-.5903;3.8268,-.6905,2.4374;6.6031,-.3241,-.9049;-.4117,-1.9092,.2645;-4.5017,.2117,-.1269;2.5746,-1.2708,.5385;5.6957,-1.001,-.078;5.3889,2.1114,.6328;5.7654,4.4418,.4997;.1086,-1.0064,1.2726;1.4075,-1.8417,1.2093;.5878,-2.8147,.3113;-2.1939,-.5135,-.4023;-1.5725,-1.7154,-.4116;-1.6151,.7303,.2673;-3.498,-.2122,-1.1034;-5.2723,1.271,-.3684;-5.2135,2.1454,-1.5757;-6.2194,1.6995,.5499;-6.5616,2.8759,-1.4492;-6.9119,2.9247,.0516;-4.626,-.4809,1.0171;-2.1442,-2.8757,-1.2185;-6.3717,1.0239,1.7437;3.6579,-.7572,1.2305;-5.5633,-.0896,1.9772;4.7364,-.2229,.3239;4.7371,1.1751,-.1188;4.1114,1.5877,-1.2564;5.247,3.2738,.0357;7.6122,-1.2419,-1.2961;2.6365,-1.2285,-.4687;6.7574,4.5208,.6721;5.1585,5.2305,.6721;-.364,-.9651,2.254;1.9733,-2.0993,2.1046;-2.1366,.7391,1.2244;-1.8195,1.5048,-.4719;-3.8624,-1.1491,-1.5248;-3.3253,.6465,-1.7522;-4.4043,2.8628,-1.4391;-5.2339,1.5087,-2.4602;-6.4049,3.9028,-1.7793;-7.3126,2.255,-1.9376;-7.9854,2.7776,.1698;-6.428,3.7923,.5003;-3.9779,-1.345,1.1637;-7.1054,1.3583,2.4771;-5.6636,-.6515,2.9058;3.5986,.8219,-1.8384;8.0802,-1.6675,-.4084;7.167,-2.04,-1.8902;8.3646,-.7232,-1.8902; g16 Output=mol.log NProcShared=64 Mem=800Mb Chk=mol #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 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 1 1 2 2 3 4 5 6 7 7 8 8 8 9 9 9 10 10 10 11 12 12 13 13 13 14 14 15 15 17 17 17 18 19 19 20 20 21 21 22 22 22 23 23 24 24 24 25 25 26 26 28 28 29 30 31 32 33 35 35 35 14 19 33 34 16 27 27 29 11 35 14 16 18 20 21 26 15 29 36 31 32 34 34 37 38 15 39 16 40 18 19 20 27 41 42 43 44 22 23 24 45 46 25 28 25 47 48 49 50 30 51 30 52 31 53 32 33 54 55 56 57 1.8072 1.8259 1.715 1.716 1.2086 1.2586 1.2586 1.2205 1.4019 1.419 1.4498 1.3495 1.3572 1.4631 1.332 1.3431 1.4622 1.3843 1.01 1.2989 1.3662 1.3145 1.3595 1.01 1.01 1.5456 1.09 1.5573 1.09 1.3531 1.5266 1.511 1.5245 1.09 1.09 1.09 1.09 1.4918 1.387 1.5385 1.09 1.09 1.493 1.3801 1.5419 1.09 1.09 1.09 1.09 1.3977 1.09 1.3957 1.09 1.5068 1.09 1.4664 1.3623 1.09 1.09 1.09 1.09 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 14 33 11 14 14 16 20 20 21 15 15 29 7 32 34 34 37 1 1 1 8 8 15 10 10 10 14 14 16 3 3 8 18 18 19 8 8 17 1 1 1 17 17 41 9 9 9 17 17 43 9 9 22 21 21 21 24 24 45 21 21 25 22 22 22 25 25 47 23 23 23 24 24 49 9 9 30 4 4 5 23 23 30 6 6 10 26 26 28 11 11 29 12 12 31 2 2 32 2 2 12 7 7 7 55 55 56 1 2 7 8 8 8 9 9 9 10 10 10 11 12 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 22 22 22 22 22 22 23 23 23 24 24 24 24 24 24 25 25 25 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 30 30 30 31 31 31 32 32 32 33 33 33 34 34 34 35 35 35 35 35 35 19 34 35 16 18 18 21 26 26 29 36 36 31 34 37 38 38 8 15 39 15 39 39 14 16 40 16 40 40 8 15 15 19 20 20 17 27 27 17 41 42 41 42 42 17 43 44 43 44 44 22 23 23 24 45 46 45 46 46 25 28 28 25 47 48 47 48 48 24 49 50 49 50 50 30 51 51 5 18 18 30 52 52 10 31 31 28 53 53 29 32 32 31 33 33 32 54 54 12 13 13 55 56 57 56 57 57 93.4573 89.1844 108.095 97.349 124.3591 138.291 120.416 118.8534 120.7296 122.6952 121.5208 115.7841 111.795 107.7371 120.0003 120.0002 119.9995 108.5434 116.5193 109.452 86.3642 119.6052 114.9408 118.5915 113.55 93.1382 85.3501 122.0292 126.8145 134.0674 136.3274 89.4619 123.5476 124.7726 111.6108 121.0772 118.4049 120.4955 114.4406 109.0187 109.0189 102.1456 102.1456 120.0004 109.8876 106.1245 106.1246 107.2476 107.2472 120.0005 126.1598 121.3774 112.4342 100.2078 108.2751 108.2751 109.1296 109.1297 120.0002 110.4427 119.788 129.7346 107.1052 107.244 107.244 107.3162 107.3163 119.9998 101.1579 108.0515 108.0513 108.9669 108.9666 120.0002 120.1856 117.9247 121.8897 130.6808 114.6576 114.6616 118.1214 120.4045 121.4741 128.5294 118.4592 113.0112 119.7935 120.1731 120.0334 120.1553 118.5106 121.3333 119.1773 118.0972 122.7255 108.5233 134.7874 116.6893 116.4581 119.2409 124.3011 109.4714 109.4714 109.471 109.4708 109.4711 109.4716 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 19 19 19 14 14 14 34 34 33 33 35 11 11 11 16 16 16 18 18 18 14 14 18 18 14 14 16 16 21 21 21 26 26 26 20 20 26 26 20 20 21 21 29 29 29 36 36 36 15 15 36 36 7 7 34 34 32 32 37 37 38 38 1 1 1 8 8 8 39 39 39 10 10 14 14 40 40 19 19 20 20 18 18 18 20 20 20 18 18 18 19 19 19 8 8 17 17 9 9 9 23 23 23 9 9 22 22 21 21 21 45 45 45 46 46 46 21 21 21 28 28 28 21 21 25 25 22 22 22 47 47 47 48 48 48 9 9 51 51 23 23 52 52 6 6 10 10 11 11 29 29 12 12 31 31 1 1 1 1 1 1 2 2 2 2 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 11 11 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 18 18 18 18 21 21 21 21 21 21 21 21 21 21 22 22 22 22 22 22 22 22 22 23 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 26 26 26 26 28 28 28 28 29 29 29 29 31 31 31 31 32 32 32 32 14 14 14 19 19 19 33 33 34 34 11 35 35 35 14 14 14 14 14 14 16 16 16 16 18 18 18 18 20 20 20 20 20 20 21 21 21 21 26 26 26 26 15 15 15 15 15 15 29 29 29 29 31 31 32 32 34 34 34 34 34 34 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 27 27 27 27 22 22 22 22 22 22 23 23 23 23 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 28 28 28 28 25 25 25 25 25 25 25 25 25 30 30 30 30 30 30 30 30 31 31 31 31 32 32 32 32 33 33 33 33 8 15 39 17 41 42 32 54 12 13 31 55 56 57 1 15 39 1 15 39 3 15 3 15 17 27 17 27 17 43 44 17 43 44 22 23 22 23 30 51 30 51 14 16 40 14 16 40 6 31 6 31 29 32 31 33 2 13 2 12 2 12 10 16 40 10 16 40 10 16 40 3 8 3 8 3 8 8 27 8 27 1 41 42 1 41 42 9 43 44 9 43 44 4 5 4 5 24 45 46 24 45 46 25 28 25 28 25 47 48 25 47 48 25 47 48 24 49 50 24 49 50 30 52 30 52 23 49 50 23 49 50 23 49 50 28 53 28 53 26 53 26 53 11 32 11 32 12 33 12 33 2 54 2 54 60.6905 156.0055 -71.4603 -46.9484 66.6989 -160.5958 -0.0008 179.9991 0.0011 -179.9864 179.9944 -56.507 63.4928 -176.5068 126.5177 9.7366 -106.9989 -53.2056 -169.9867 73.2778 174.3274 -9.6438 -6.0159 170.0129 14.5298 -167.1815 -165.0578 13.2309 134.6398 -109.7149 18.9948 -45.0047 70.6406 -160.6497 -1.3451 -179.25 178.2926 0.3877 179.1356 -0.8642 -0.5077 179.4925 103.953 -158.1822 -25.4519 -76.0468 21.818 154.5483 -0.0139 -179.8816 179.9859 0.1183 -179.6748 0.007 -179.9936 0.0005 -0.0011 179.9857 -123.6354 56.3781 56.3649 -123.6216 -2.9724 -117.3163 111.5153 105.9585 -8.3854 -139.5538 -132.9519 112.7042 -18.4642 65.6337 -110.2339 -175.1364 8.9961 -47.996 136.1365 4.4078 -173.8452 -178.8696 2.8774 19.4094 -98.2334 137.0525 -157.6952 84.662 -40.0521 119.7239 4.7912 -125.3434 -63.2138 -178.1465 51.7189 -88.3023 91.6973 89.9967 -90.0037 164.3263 -81.4608 50.1132 -17.6088 96.6041 -131.8218 178.2716 0.2117 0.1015 -177.9584 28.0411 142.9765 -86.8944 -85.5186 29.4168 159.5459 141.6008 -103.4637 26.6653 17.4719 131.8476 -96.9034 -164.7176 -50.3419 80.907 -0.6594 179.3405 -178.2953 1.7046 -28.3084 -141.9969 85.3798 -143.1954 103.1161 -29.5073 86.5787 -27.1098 -159.7332 0.0375 -179.9623 -179.9626 0.0376 0.5383 -179.4619 -179.4615 0.5382 89.7825 -89.8901 -90.3352 89.9921 -89.6798 90.3264 89.998 -89.9957 0.0003 -179.9996 179.9942 -0.0058 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 57 1.00e+00 60 F Berny optimization. local minimum Step number 48 out of a maximum of 333 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00145 0.00249 0.00435 0.00442 0.00536 0.00551 0.00684 0.00730 0.00856 0.00968 0.01006 0.01179 0.01280 0.01363 0.01367 0.01508 0.01565 0.01694 0.01740 0.01812 0.01939 0.01963 0.02067 0.02130 0.02143 0.02207 0.02255 0.02282 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3.28703 3.36002 2.28565 2.36353 2.37443 2.32298 2.58675 2.71447 2.76691 2.62412 2.63533 2.86292 2.55163 2.57405 2.69896 2.58051 1.91357 2.44346 2.62650 2.46074 2.58727 1.91311 1.91008 2.95964 2.06408 2.94150 2.06292 2.56080 2.86578 2.84226 2.92727 2.07127 2.06779 2.06133 2.05662 2.84893 2.64441 2.93125 2.07403 2.06450 2.85152 2.62367 2.92730 2.06192 2.06690 2.06540 2.07356 2.60904 2.05146 2.64535 2.05039 2.87084 2.04667 2.78614 2.58680 2.03634 2.06662 2.06673 2.06051 1.62852 1.54186 1.91018 1.66392 2.21802 2.32675 2.12706 2.05710 2.09888 2.13096 2.10832 2.04248 2.01997 1.93556 1.98809 2.04746 1.98284 1.93547 2.06974 1.91311 1.53821 1.96663 2.01198 2.08991 2.04144 1.88541 1.48340 1.96027 1.98126 2.31428 2.37536 1.59303 2.17702 2.07528 2.03083 2.08276 2.02257 2.17525 2.00910 1.88457 1.82230 1.95429 1.91794 1.86611 1.96567 1.86565 1.85590 1.92790 1.94646 1.89849 2.22526 2.10662 1.95115 1.78879 1.91328 1.97811 1.94792 1.96210 1.87422 1.91863 2.09011 2.27433 1.84758 1.95354 1.90343 1.96593 1.91094 1.88171 1.80359 1.96500 1.90863 1.97301 1.94393 1.87015 2.10876 2.03178 2.14263 2.26597 2.04420 1.97203 2.06758 2.11273 2.10284 2.14712 2.13171 2.00434 2.09389 2.07346 2.11583 1.97983 2.22707 2.07628 2.09889 2.02179 2.16247 1.92449 2.11688 2.24157 2.00083 2.10782 2.17266 1.93270 1.93288 1.83524 1.91895 1.92094 1.92174 0.95974 2.69965 -1.22264 -0.85230 1.34526 -2.95638 -0.01912 3.10041 0.01437 3.09315 -3.13306 -1.09150 1.04200 3.11736 2.02346 -0.07094 -2.10785 -0.75340 -2.84780 1.39848 -3.03897 0.07136 -0.29919 2.81114 0.13645 -2.93107 -2.49522 0.72045 2.15487 -2.00791 0.01797 -1.00453 1.11588 -3.14143 -0.00366 -3.12520 -3.12703 0.03461 3.13942 -0.00844 -0.01968 3.11564 2.20844 -2.32508 -0.06448 -0.99222 0.75745 3.01805 -0.03795 3.10892 -3.12259 0.02428 3.07923 -0.05932 3.13905 -0.01066 -0.00516 -3.08128 2.90391 -0.30695 0.52650 -2.68436 0.15818 -1.90668 2.39743 2.12810 0.06324 -1.91583 -2.16048 2.05785 0.07878 0.93088 -2.17753 3.04173 -0.06667 -1.28350 1.89128 0.03740 3.09798 -3.09132 -0.03073 0.44675 -1.71443 2.49763 -2.70743 1.41458 -0.65655 1.75936 -0.32527 -2.43874 -1.37042 2.82814 0.71467 -2.06218 1.12226 1.15790 -1.94084 2.90537 -1.30704 0.78654 -0.25479 1.81599 -2.37362 3.10429 -0.02220 -0.02016 3.13653 0.42047 2.56854 -1.63405 -1.62573 0.52234 2.60294 2.55024 -1.58488 0.49572 0.28729 2.42183 -1.78459 -2.87149 -0.73696 1.33981 -0.00492 -3.13792 -3.12790 0.02229 -0.43588 -2.56504 1.61136 -2.57608 1.57794 -0.52884 1.61361 -0.51555 -2.62234 -0.00770 3.13442 3.14058 -0.00049 0.01951 -3.12261 -3.13063 0.01043 3.13069 -0.01366 -0.01613 3.12271 -0.62328 2.52711 2.52150 -0.61129 0.02135 -3.09618 -3.12869 0.03697 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000000 0.000000 0.000147 0.000032 0.000015 0.000010 0.000060 0.000040 YES YES NO YES -1.058782e-11 Optimization completed on the basis of negligible forces. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 1 1 2 2 3 4 5 6 7 7 8 8 8 9 9 9 10 10 10 11 12 12 13 13 13 14 14 15 15 17 17 17 18 19 19 20 20 21 21 22 22 22 23 23 24 24 24 25 25 26 26 28 28 29 30 31 32 33 35 35 35 14 19 33 34 16 27 27 29 11 35 14 16 18 20 21 26 15 29 36 31 32 34 34 37 38 15 39 16 40 18 19 20 27 41 42 43 44 22 23 24 45 46 25 28 25 47 48 49 50 30 51 30 52 31 53 32 33 54 55 56 57 1.8292 1.8505 1.7394 1.778 1.2095 1.2507 1.2565 1.2293 1.3688 1.4364 1.4642 1.3886 1.3946 1.515 1.3503 1.3621 1.4282 1.3655 1.0126 1.293 1.3899 1.3022 1.3691 1.0124 1.0108 1.5662 1.0923 1.5566 1.0917 1.3551 1.5165 1.5041 1.549 1.0961 1.0942 1.0908 1.0883 1.5076 1.3994 1.5512 1.0975 1.0925 1.509 1.3884 1.5491 1.0911 1.0938 1.093 1.0973 1.3806 1.0856 1.3999 1.085 1.5192 1.0831 1.4744 1.3689 1.0776 1.0936 1.0937 1.0904 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 14 33 11 14 14 16 20 20 21 15 15 29 7 32 34 34 37 1 1 1 8 8 15 10 10 10 14 14 16 3 3 8 18 18 19 8 8 17 1 1 1 17 17 41 9 9 9 17 17 43 9 9 22 21 21 21 24 24 45 21 21 25 22 22 22 25 25 47 23 23 23 24 24 49 9 9 30 4 4 5 23 23 30 6 6 10 26 26 28 11 11 29 12 12 31 2 2 32 2 2 12 7 7 7 55 55 56 1 2 7 8 8 8 9 9 9 10 10 10 11 12 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 22 22 22 22 22 22 23 23 23 24 24 24 24 24 24 25 25 25 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 30 30 30 31 31 31 32 32 32 33 33 33 34 34 34 35 35 35 35 35 35 19 34 35 16 18 18 21 26 26 29 36 36 31 34 37 38 38 8 15 39 15 39 39 14 16 40 16 40 40 8 15 15 19 20 20 17 27 27 17 41 42 41 42 42 17 43 44 43 44 44 22 23 23 24 45 46 45 46 46 25 28 28 25 47 48 47 48 48 24 49 50 49 50 50 30 51 51 5 18 18 30 52 52 10 31 31 28 53 53 29 32 32 31 33 33 32 54 54 12 13 13 55 56 57 56 57 57 93.3074 88.3418 109.445 95.3356 127.0834 133.3128 121.8718 117.8632 120.2571 122.095 120.7981 117.0254 115.7358 110.8994 113.9089 117.3106 113.6081 110.8942 118.5872 109.6128 88.1329 112.6795 115.2779 119.7432 116.966 108.026 84.9927 112.3154 113.5179 132.5983 136.0981 91.2738 124.7339 118.9046 116.3576 119.3332 115.8844 124.6325 115.1129 107.9781 104.4102 111.9723 109.8899 106.92 112.6243 106.8939 106.3355 110.4604 111.5239 108.7753 127.4982 120.7006 111.7928 102.4899 109.6227 113.3373 111.6077 112.42 107.3847 109.9293 119.7544 130.3094 105.8583 111.9295 109.0587 112.6393 109.489 107.8142 103.338 112.5859 109.3564 113.0451 111.379 107.1515 120.8231 116.4124 122.7635 129.8308 117.1241 112.9889 118.4636 121.0506 120.484 123.0209 122.1379 114.8404 119.9713 118.8006 121.2282 113.436 127.6019 118.9619 120.2576 115.8402 123.9004 110.2649 121.2883 128.4326 114.6392 120.7693 124.4844 110.7356 110.7456 105.1513 109.9476 110.0618 110.1077 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 19 19 19 14 14 14 34 34 33 33 35 11 11 11 16 16 16 18 18 18 14 14 18 18 14 14 16 16 21 21 21 26 26 26 20 20 26 26 20 20 21 21 29 29 29 36 36 36 15 15 36 36 7 7 34 34 32 32 37 37 38 38 1 1 1 8 8 8 39 39 39 10 10 14 14 40 40 19 19 20 20 18 18 18 20 20 20 18 18 18 19 19 19 8 8 17 17 9 9 9 23 23 23 9 9 22 22 21 21 21 45 45 45 46 46 46 21 21 21 28 28 28 21 21 25 25 22 22 22 47 47 47 48 48 48 9 9 51 51 23 23 52 52 6 6 10 10 11 11 29 29 12 12 31 1 1 1 1 1 1 2 2 2 2 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 11 11 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 18 18 18 18 21 21 21 21 21 21 21 21 21 21 22 22 22 22 22 22 22 22 22 23 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 26 26 26 26 28 28 28 28 29 29 29 29 31 31 31 31 32 32 32 14 14 14 19 19 19 33 33 34 34 11 35 35 35 14 14 14 14 14 14 16 16 16 16 18 18 18 18 20 20 20 20 20 20 21 21 21 21 26 26 26 26 15 15 15 15 15 15 29 29 29 29 31 31 32 32 34 34 34 34 34 34 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 27 27 27 27 22 22 22 22 22 22 23 23 23 23 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 28 28 28 28 25 25 25 25 25 25 25 25 25 30 30 30 30 30 30 30 30 31 31 31 31 32 32 32 32 33 33 33 8 15 39 17 41 42 32 54 12 13 31 55 56 57 1 15 39 1 15 39 3 15 3 15 17 27 17 27 17 43 44 17 43 44 22 23 22 23 30 51 30 51 14 16 40 14 16 40 6 31 6 31 29 32 31 33 2 13 2 12 2 12 10 16 40 10 16 40 10 16 40 3 8 3 8 3 8 8 27 8 27 1 41 42 1 41 42 9 43 44 9 43 44 4 5 4 5 24 45 46 24 45 46 25 28 25 28 25 47 48 25 47 48 25 47 48 24 49 50 24 49 50 30 52 30 52 23 49 50 23 49 50 23 49 50 28 53 28 53 26 53 26 53 11 32 11 32 12 33 12 33 2 54 2 54.9892 154.6787 -70.0521 -48.8328 77.078 -169.388 -1.0957 177.6406 0.8231 177.2246 -179.5111 -62.5383 59.7026 178.612 115.9353 -4.065 -120.7712 -43.167 -163.1672 80.1265 -174.1199 4.0889 -17.142 161.0668 7.8186 -167.9371 -142.9652 41.2791 123.4654 -115.0443 1.0302 -57.5549 63.9354 -179.9902 -0.21 -179.061 -179.1657 1.9832 179.8757 -0.4837 -1.1274 178.5132 126.5334 -133.218 -3.6949 -56.8494 43.3993 172.9223 -2.1734 178.1287 -178.9116 1.3905 176.4268 -3.3987 179.8541 -0.6108 -0.2957 -176.5443 166.3815 -17.5872 30.1661 -153.8026 9.0632 -109.2442 137.3632 121.9313 3.6239 -109.7687 -123.786 117.9065 4.5139 53.3351 -124.7635 174.2783 -3.8202 -73.5392 108.3623 2.1426 177.501 -177.1194 -1.7609 25.5963 -98.2303 143.1031 -155.1248 81.0486 -37.618 100.8042 -18.6361 -139.7291 -78.5189 162.0408 40.9478 -118.1565 64.299 66.3409 -111.2037 166.4657 -74.8876 45.0656 -14.5982 104.0484 -135.9984 177.863 -1.2717 -1.1553 179.71 24.0913 147.1663 -93.624 -93.1474 29.9275 149.1372 146.1179 -90.8071 28.4025 16.4607 138.7604 -102.2493 -164.5244 -42.2247 76.7656 -0.2822 -179.7896 -179.2154 1.2772 -24.9738 -146.9662 92.324 -147.5983 90.4094 -30.3004 92.4534 -29.5389 -150.2487 -0.441 179.5889 179.9419 -0.0283 1.118 -178.9125 -179.3716 0.5978 179.3755 -0.7824 -0.9236 178.9184 -35.7107 144.7935 144.4722 -35.0236 1.2233 -177.398 -179.2606 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 492.40259999999967 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2.86833 2.87870 2.88271 2.89802 2.91278 2.92813 2.93479 2.94317 2.94464 2.96924 2.97381 2.98529 2.99848 3.01512 3.02474 3.04325 3.05309 3.08174 3.08576 3.14074 3.17653 3.19361 3.20828 3.21046 3.22482 3.23296 3.25441 3.26435 3.26744 3.29383 3.30356 3.30609 3.30626 3.31574 3.35472 3.39833 3.40238 3.42470 3.43432 3.44505 3.44685 3.45340 3.45646 3.49366 3.50155 3.51641 3.52857 3.79567 3.89311 3.91453 3.94615 3.96813 4.01207 4.02377 4.04383 4.07419 4.09767 4.13543 4.14049 4.15333 4.17829 4.20120 4.21349 4.23062 4.29069 4.32627 4.33494 4.36726 4.37856 4.39988 4.41494 4.44825 4.46228 4.49572 4.53489 4.55965 4.58969 4.63891 4.66322 4.69869 4.71307 4.81522 4.95009 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 S S O O O O O 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 C C H H H H H H H H H H H H H H H H H H H H H H 0.083811 0.220959 -0.501711 -0.612394 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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 0 492.40259999999967 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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 1 1 2 2 3 4 5 6 7 7 8 8 8 9 9 9 10 10 10 11 12 12 13 13 13 14 14 15 15 17 17 17 18 19 19 20 20 21 21 22 22 22 23 23 24 24 24 25 25 26 26 28 28 29 30 31 32 33 35 35 35 14 19 33 34 16 27 27 29 11 35 14 16 18 20 21 26 15 29 36 31 32 34 34 37 38 15 39 16 40 18 19 20 27 41 42 43 44 22 23 24 45 46 25 28 25 47 48 49 50 30 51 30 52 31 53 32 33 54 55 56 57 1.8292 1.8505 1.7394 1.778 1.2095 1.2507 1.2565 1.2293 1.3688 1.4364 1.4642 1.3886 1.3946 1.515 1.3503 1.3621 1.4282 1.3655 1.0126 1.293 1.3899 1.3022 1.3691 1.0124 1.0108 1.5662 1.0923 1.5566 1.0917 1.3551 1.5165 1.5041 1.549 1.0961 1.0942 1.0908 1.0883 1.5076 1.3994 1.5512 1.0975 1.0925 1.509 1.3884 1.5491 1.0911 1.0938 1.093 1.0973 1.3806 1.0856 1.3999 1.085 1.5192 1.0831 1.4744 1.3689 1.0776 1.0936 1.0937 1.0904 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 14 33 11 14 14 16 20 20 21 15 15 29 7 32 34 34 37 1 1 1 8 8 15 10 10 10 14 14 16 3 3 8 18 18 19 8 8 17 1 1 1 17 17 41 9 9 9 17 17 43 9 9 22 21 21 21 24 24 45 21 21 25 22 22 22 25 25 47 23 23 23 24 24 49 9 9 30 4 4 5 23 23 30 6 6 10 26 26 28 11 11 29 12 12 31 2 2 32 2 2 12 7 7 7 55 55 56 1 2 7 8 8 8 9 9 9 10 10 10 11 12 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 22 22 22 22 22 22 23 23 23 24 24 24 24 24 24 25 25 25 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 30 30 30 31 31 31 32 32 32 33 33 33 34 34 34 35 35 35 35 35 35 19 34 35 16 18 18 21 26 26 29 36 36 31 34 37 38 38 8 15 39 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122.1379 114.8404 119.9713 118.8006 121.2282 113.436 127.6019 118.9619 120.2576 115.8402 123.9004 110.2649 121.2883 128.4326 114.6392 120.7693 124.4844 110.7356 110.7456 105.1513 109.9476 110.0618 110.1077 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 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 19 19 19 14 14 14 34 34 33 33 35 11 11 11 16 16 16 18 18 18 14 14 18 18 14 14 16 16 21 21 21 26 26 26 20 20 26 26 20 20 21 21 29 29 29 36 36 36 15 15 36 36 7 7 34 34 32 32 37 37 38 38 1 1 1 8 8 8 39 39 39 10 10 14 14 40 40 19 19 20 20 18 18 18 20 20 20 18 18 18 19 19 19 8 8 17 17 9 9 9 23 23 23 9 9 22 22 21 21 21 45 45 45 46 46 46 21 21 21 28 28 28 21 21 25 25 22 22 22 47 47 47 48 48 48 9 9 51 51 23 23 52 52 6 6 10 10 11 11 29 29 12 12 31 31 1 1 1 1 1 1 2 2 2 2 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 11 11 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 18 18 18 18 21 21 21 21 21 21 21 21 21 21 22 22 22 22 22 22 22 22 22 23 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 26 26 26 26 28 28 28 28 29 29 29 29 31 31 31 31 32 32 32 32 14 14 14 19 19 19 33 33 34 34 11 35 35 35 14 14 14 14 14 14 16 16 16 16 18 18 18 18 20 20 20 20 20 20 21 21 21 21 26 26 26 26 15 15 15 15 15 15 29 29 29 29 31 31 32 32 34 34 34 34 34 34 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 27 27 27 27 22 22 22 22 22 22 23 23 23 23 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 28 28 28 28 25 25 25 25 25 25 25 25 25 30 30 30 30 30 30 30 30 31 31 31 31 32 32 32 32 33 33 33 33 8 15 39 17 41 42 32 54 12 13 31 55 56 57 1 15 39 1 15 39 3 15 3 15 17 27 17 27 17 43 44 17 43 44 22 23 22 23 30 51 30 51 14 16 40 14 16 40 6 31 6 31 29 32 31 33 2 13 2 12 2 12 10 16 40 10 16 40 10 16 40 3 8 3 8 3 8 8 27 8 27 1 41 42 1 41 42 9 43 44 9 43 44 4 5 4 5 24 45 46 24 45 46 25 28 25 28 25 47 48 25 47 48 25 47 48 24 49 50 24 49 50 30 52 30 52 23 49 50 23 49 50 23 49 50 28 53 28 53 26 53 26 53 11 32 11 32 12 33 12 33 2 54 2 54 54.9892 154.6787 -70.0521 -48.8328 77.078 -169.388 -1.0957 177.6406 0.8231 177.2246 -179.5111 -62.5383 59.7026 178.612 115.9353 -4.065 -120.7712 -43.167 -163.1672 80.1265 -174.1199 4.0889 -17.142 161.0668 7.8186 -167.9371 -142.9652 41.2791 123.4654 -115.0443 1.0302 -57.5549 63.9354 -179.9902 -0.21 -179.061 -179.1657 1.9832 179.8757 -0.4837 -1.1274 178.5132 126.5334 -133.218 -3.6949 -56.8494 43.3993 172.9223 -2.1734 178.1287 -178.9116 1.3905 176.4268 -3.3987 179.8541 -0.6108 -0.2957 -176.5443 166.3815 -17.5872 30.1661 -153.8026 9.0632 -109.2442 137.3632 121.9313 3.6239 -109.7687 -123.786 117.9065 4.5139 53.3351 -124.7635 174.2783 -3.8202 -73.5392 108.3623 2.1426 177.501 -177.1194 -1.7609 25.5963 -98.2303 143.1031 -155.1248 81.0486 -37.618 100.8042 -18.6361 -139.7291 -78.5189 162.0408 40.9478 -118.1565 64.299 66.3409 -111.2037 166.4657 -74.8876 45.0656 -14.5982 104.0484 -135.9984 177.863 -1.2717 -1.1553 179.71 24.0913 147.1663 -93.624 -93.1474 29.9275 149.1372 146.1179 -90.8071 28.4025 16.4607 138.7604 -102.2493 -164.5244 -42.2247 76.7656 -0.2822 -179.7896 -179.2154 1.2772 -24.9738 -146.9662 92.324 -147.5983 90.4094 -30.3004 92.4534 -29.5389 -150.2487 -0.441 179.5889 179.9419 -0.0283 1.118 -178.9125 -179.3716 0.5978 179.3755 -0.7824 -0.9236 178.9184 -35.7107 144.7935 144.4722 -35.0236 1.2233 -177.398 -179.2606 2.1181 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00154 0.00157 0.00177 0.00272 0.00322 0.00373 0.00444 0.00503 0.00523 0.00570 0.00653 0.00703 0.00817 0.00988 0.01067 0.01235 0.01329 0.01396 0.01412 0.01415 0.01639 0.01888 0.01975 0.02054 0.02059 0.02208 0.02351 0.02389 0.02457 0.02575 0.02668 0.02783 0.03030 0.03244 0.03282 0.03377 0.03479 0.03602 0.04113 0.04251 0.04345 0.04391 0.04515 0.04560 0.05058 0.05199 0.05391 0.05505 0.05511 0.05731 0.06143 0.06229 0.06669 0.06748 0.06883 0.07150 0.07195 0.07772 0.08196 0.08493 0.08561 0.09032 0.09245 0.09257 0.09301 0.09491 0.10808 0.11094 0.11815 0.12027 0.12193 0.12210 0.12939 0.13282 0.13317 0.14177 0.15091 0.15137 0.15866 0.16240 0.16377 0.17332 0.17733 0.17752 0.18365 0.18453 0.18482 0.18601 0.18688 0.19067 0.19116 0.19228 0.19428 0.19769 0.20050 0.20501 0.20548 0.22142 0.22327 0.22627 0.22997 0.23270 0.23377 0.23572 0.24053 0.24147 0.25078 0.25648 0.25985 0.26857 0.27610 0.28518 0.29278 0.29801 0.29965 0.30901 0.31588 0.32370 0.32892 0.33135 0.33147 0.33200 0.33363 0.33846 0.33862 0.34099 0.34172 0.34416 0.34561 0.34575 0.34802 0.34811 0.34853 0.35404 0.35676 0.35845 0.36471 0.36879 0.36924 0.37447 0.38031 0.38259 0.38953 0.41480 0.42129 0.42390 0.44389 0.45120 0.45356 0.46486 0.46936 0.47298 0.47485 0.47794 0.48614 0.50550 0.51202 0.53433 0.58538 0.58776 0.60050 0.69860 0.76895 0.80703 0.85988 Angle between quadratic step and forces= 73.94 degrees. 1 2 0.00001318 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 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 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 3.45663 3.49687 3.28703 3.36002 2.28565 2.36353 2.37443 2.32298 2.58675 2.71447 2.76691 2.62412 2.63533 2.86292 2.55163 2.57405 2.69896 2.58051 1.91357 2.44346 2.62650 2.46074 2.58727 1.91311 1.91008 2.95964 2.06408 2.94150 2.06292 2.56080 2.86578 2.84226 2.92727 2.07127 2.06779 2.06133 2.05662 2.84893 2.64441 2.93125 2.07403 2.06450 2.85152 2.62367 2.92730 2.06192 2.06690 2.06540 2.07356 2.60903 2.05146 2.64535 2.05039 2.87085 2.04667 2.78614 2.58680 2.03634 2.06662 2.06673 2.06051 1.62852 1.54186 1.91018 1.66392 2.21802 2.32675 2.12706 2.05710 2.09888 2.13096 2.10832 2.04248 2.01997 1.93556 1.98809 2.04746 1.98284 1.93547 2.06974 1.91311 1.53821 1.96663 2.01198 2.08991 2.04144 1.88541 1.48340 1.96027 1.98126 2.31428 2.37536 1.59303 2.17702 2.07528 2.03082 2.08276 2.02256 2.17525 2.00910 1.88457 1.82230 1.95428 1.91794 1.86611 1.96566 1.86565 1.85590 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1.91895 1.92094 1.92174 0.95974 2.69965 -1.22264 -0.85230 1.34526 -2.95638 -0.01912 3.10041 0.01437 3.09315 -3.13306 -1.09150 1.04201 3.11737 2.02345 -0.07095 -2.10785 -0.75340 -2.84780 1.39847 -3.03897 0.07136 -0.29919 2.81114 0.13646 -2.93106 -2.49521 0.72045 2.15487 -2.00790 0.01798 -1.00453 1.11588 -3.14142 -0.00366 -3.12520 -3.12703 0.03461 3.13942 -0.00844 -0.01968 3.11564 2.20842 -2.32509 -0.06449 -0.99222 0.75745 3.01806 -0.03794 3.10893 -3.12260 0.02427 3.07923 -0.05932 3.13905 -0.01066 -0.00516 -3.08128 2.90391 -0.30696 0.52650 -2.68436 0.15818 -1.90667 2.39744 2.12810 0.06325 -1.91583 -2.16048 2.05785 0.07878 0.93087 -2.17753 3.04173 -0.06667 -1.28350 1.89128 0.03739 3.09798 -3.09132 -0.03073 0.44674 -1.71444 2.49762 -2.70743 1.41457 -0.65655 1.75936 -0.32526 -2.43873 -1.37042 2.82814 0.71467 -2.06221 1.12224 1.15788 -1.94086 2.90537 -1.30704 0.78654 -0.25479 1.81599 -2.37362 3.10429 -0.02220 -0.02016 3.13653 0.42047 2.56854 -1.63405 -1.62573 0.52233 2.60294 2.55024 -1.58488 0.49572 0.28729 2.42183 -1.78459 -2.87149 -0.73696 1.33981 -0.00493 -3.13792 -3.12790 0.02229 -0.43588 -2.56504 1.61136 -2.57608 1.57794 -0.52884 1.61362 -0.51555 -2.62234 -0.00770 3.13442 3.14058 -0.00049 0.01951 -3.12261 -3.13063 0.01043 3.13069 -0.01365 -0.01612 3.12272 -0.62328 2.52712 2.52151 -0.61129 0.02135 -3.09618 -3.12869 0.03697 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000000 0.000000 0.000058 0.000013 0.000015 0.000010 0.000060 0.000040 YES YES YES YES -2.611111e-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 1 1 2 2 3 4 5 6 7 7 8 8 8 9 9 9 10 10 10 11 12 12 13 13 13 14 14 15 15 17 17 17 18 19 19 20 20 21 21 22 22 22 23 23 24 24 24 25 25 26 26 28 28 29 30 31 32 33 35 35 35 14 19 33 34 16 27 27 29 11 35 14 16 18 20 21 26 15 29 36 31 32 34 34 37 38 15 39 16 40 18 19 20 27 41 42 43 44 22 23 24 45 46 25 28 25 47 48 49 50 30 51 30 52 31 53 32 33 54 55 56 57 1.8292 1.8505 1.7394 1.778 1.2095 1.2507 1.2565 1.2293 1.3688 1.4364 1.4642 1.3886 1.3946 1.515 1.3503 1.3621 1.4282 1.3655 1.0126 1.293 1.3899 1.3022 1.3691 1.0124 1.0108 1.5662 1.0923 1.5566 1.0917 1.3551 1.5165 1.5041 1.549 1.0961 1.0942 1.0908 1.0883 1.5076 1.3994 1.5512 1.0975 1.0925 1.509 1.3884 1.5491 1.0911 1.0938 1.093 1.0973 1.3806 1.0856 1.3999 1.085 1.5192 1.0831 1.4744 1.3689 1.0776 1.0936 1.0937 1.0904 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 14 33 11 14 14 16 20 20 21 15 15 29 7 32 34 34 37 1 1 1 8 8 15 10 10 10 14 14 16 3 3 8 18 18 19 8 8 17 1 1 1 17 17 41 9 9 9 17 17 43 9 9 22 21 21 21 24 24 45 21 21 25 22 22 22 25 25 47 23 23 23 24 24 49 9 9 30 4 4 5 23 23 30 6 6 10 26 26 28 11 11 29 12 12 31 2 2 32 2 2 12 7 7 7 55 55 56 1 2 7 8 8 8 9 9 9 10 10 10 11 12 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 22 22 22 22 22 22 23 23 23 24 24 24 24 24 24 25 25 25 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 30 30 30 31 31 31 32 32 32 33 33 33 34 34 34 35 35 35 35 35 35 19 34 35 16 18 18 21 26 26 29 36 36 31 34 37 38 38 8 15 39 15 39 39 14 16 40 16 40 40 8 15 15 19 20 20 17 27 27 17 41 42 41 42 42 17 43 44 43 44 44 22 23 23 24 45 46 45 46 46 25 28 28 25 47 48 47 48 48 24 49 50 49 50 50 30 51 51 5 18 18 30 52 52 10 31 31 28 53 53 29 32 32 31 33 33 32 54 54 12 13 13 55 56 57 56 57 57 93.3074 88.3418 109.445 95.3356 127.0834 133.3128 121.8718 117.8632 120.2571 122.095 120.7981 117.0254 115.7358 110.8994 113.9089 117.3106 113.6081 110.8942 118.5872 109.6128 88.1329 112.6795 115.2779 119.7432 116.966 108.026 84.9927 112.3154 113.5179 132.5983 136.0981 91.2738 124.7339 118.9046 116.3576 119.3332 115.8844 124.6325 115.1129 107.9781 104.4102 111.9723 109.8899 106.92 112.6243 106.8939 106.3355 110.4604 111.5239 108.7753 127.4982 120.7006 111.7928 102.4899 109.6227 113.3373 111.6077 112.42 107.3847 109.9293 119.7544 130.3094 105.8583 111.9295 109.0587 112.6393 109.489 107.8142 103.338 112.5859 109.3564 113.0451 111.379 107.1515 120.8231 116.4124 122.7635 129.8308 117.1241 112.9889 118.4636 121.0506 120.484 123.0209 122.1379 114.8404 119.9713 118.8006 121.2282 113.436 127.6019 118.9619 120.2576 115.8402 123.9004 110.2649 121.2883 128.4326 114.6392 120.7693 124.4844 110.7356 110.7456 105.1513 109.9476 110.0618 110.1077 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 19 19 19 14 14 14 34 34 33 33 35 11 11 11 16 16 16 18 18 18 14 14 18 18 14 14 16 16 21 21 21 26 26 26 20 20 26 26 20 20 21 21 29 29 29 36 36 36 15 15 36 36 7 7 34 34 32 32 37 37 38 38 1 1 1 8 8 8 39 39 39 10 10 14 14 40 40 19 19 20 20 18 18 18 20 20 20 18 18 18 19 19 19 8 8 17 17 9 9 9 23 23 23 9 9 22 22 21 21 21 45 45 45 46 46 46 21 21 21 28 28 28 21 21 25 25 22 22 22 47 47 47 48 48 48 9 9 51 51 23 23 52 52 6 6 10 10 11 11 29 29 12 12 31 1 1 1 1 1 1 2 2 2 2 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 11 11 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 18 18 18 18 21 21 21 21 21 21 21 21 21 21 22 22 22 22 22 22 22 22 22 23 23 23 23 23 23 23 23 23 23 24 24 24 24 24 24 24 24 24 26 26 26 26 28 28 28 28 29 29 29 29 31 31 31 31 32 32 32 14 14 14 19 19 19 33 33 34 34 11 35 35 35 14 14 14 14 14 14 16 16 16 16 18 18 18 18 20 20 20 20 20 20 21 21 21 21 26 26 26 26 15 15 15 15 15 15 29 29 29 29 31 31 32 32 34 34 34 34 34 34 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 27 27 27 27 22 22 22 22 22 22 23 23 23 23 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 28 28 28 28 25 25 25 25 25 25 25 25 25 30 30 30 30 30 30 30 30 31 31 31 31 32 32 32 32 33 33 33 8 15 39 17 41 42 32 54 12 13 31 55 56 57 1 15 39 1 15 39 3 15 3 15 17 27 17 27 17 43 44 17 43 44 22 23 22 23 30 51 30 51 14 16 40 14 16 40 6 31 6 31 29 32 31 33 2 13 2 12 2 12 10 16 40 10 16 40 10 16 40 3 8 3 8 3 8 8 27 8 27 1 41 42 1 41 42 9 43 44 9 43 44 4 5 4 5 24 45 46 24 45 46 25 28 25 28 25 47 48 25 47 48 25 47 48 24 49 50 24 49 50 30 52 30 52 23 49 50 23 49 50 23 49 50 28 53 28 53 26 53 26 53 11 32 11 32 12 33 12 33 2 54 2 54.9892 154.6787 -70.0521 -48.8328 77.078 -169.388 -1.0957 177.6406 0.8231 177.2246 -179.5111 -62.5383 59.7026 178.612 115.9353 -4.065 -120.7712 -43.167 -163.1672 80.1265 -174.1199 4.0889 -17.142 161.0668 7.8186 -167.9371 -142.9652 41.2791 123.4654 -115.0443 1.0302 -57.5549 63.9354 -179.9902 -0.21 -179.061 -179.1657 1.9832 179.8757 -0.4837 -1.1274 178.5132 126.5334 -133.218 -3.6949 -56.8494 43.3993 172.9223 -2.1734 178.1287 -178.9116 1.3905 176.4268 -3.3987 179.8541 -0.6108 -0.2957 -176.5443 166.3815 -17.5872 30.1661 -153.8026 9.0632 -109.2442 137.3632 121.9313 3.6239 -109.7687 -123.786 117.9065 4.5139 53.3351 -124.7635 174.2783 -3.8202 -73.5392 108.3623 2.1426 177.501 -177.1194 -1.7609 25.5963 -98.2303 143.1031 -155.1248 81.0486 -37.618 100.8042 -18.6361 -139.7291 -78.5189 162.0408 40.9478 -118.1565 64.299 66.3409 -111.2037 166.4657 -74.8876 45.0656 -14.5982 104.0484 -135.9984 177.863 -1.2717 -1.1553 179.71 24.0913 147.1663 -93.624 -93.1474 29.9275 149.1372 146.1179 -90.8071 28.4025 16.4607 138.7604 -102.2493 -164.5244 -42.2247 76.7656 -0.2822 -179.7896 -179.2154 1.2772 -24.9738 -146.9662 92.324 -147.5983 90.4094 -30.3004 92.4534 -29.5389 -150.2487 -0.441 179.5889 179.9419 -0.0283 1.118 -178.9125 -179.3716 0.5978 179.3755 -0.7824 -0.9236 178.9184 -35.7107 144.7935 144.4722 -35.0236 1.2233 -177.398 -179.2606 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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) 57 57 57 1.00e+00 60 F 0.2574416 0.0350432 0.0341859 1 -2352.57202089 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=11111111111111111111111111111111111111111111111111 IDoAtm=1111111 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: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. There are 174 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 174 vectors produced by pass 0 Test12= 6.82D-14 1.00D-09 XBig12= 3.81D+02 7.34D+00. AX will form 1 AO Fock derivatives at one time. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. 174 vectors produced by pass 1 Test12= 6.82D-14 1.00D-09 XBig12= 8.34D+01 1.19D+00. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. 174 vectors produced by pass 2 Test12= 6.82D-14 1.00D-09 XBig12= 8.52D-01 1.10D-01. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. 171 vectors produced by pass 3 Test12= 6.82D-14 1.00D-09 XBig12= 5.18D-03 6.78D-03. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. 171 vectors produced by pass 4 Test12= 6.82D-14 1.00D-09 XBig12= 1.19D-05 2.96D-04. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. 148 vectors produced by pass 5 Test12= 6.82D-14 1.00D-09 XBig12= 1.56D-08 8.76D-06. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. 46 vectors produced by pass 6 Test12= 6.82D-14 1.00D-09 XBig12= 1.67D-11 4.22D-07. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. 3 vectors produced by pass 7 Test12= 6.82D-14 1.00D-09 XBig12= 1.68D-14 1.79D-08. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. InvSVY: IOpt=1 It= 1 EMax= 2.49D-14 Solved reduced A of dimension 1061 with 174 vectors. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 59 ShMem 1 Linda. Isotropic polarizability for W= 0.000000 429.52 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 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0.54896 0.54970 0.55361 0.56042 0.56387 0.57354 0.57557 0.58119 0.59215 0.59506 0.59753 0.59934 0.60623 0.61635 0.62050 0.62676 0.63118 0.64273 0.64784 0.65316 0.65434 0.65962 0.66372 0.67342 0.67603 0.67704 0.68514 0.68992 0.69280 0.70655 0.70973 0.71174 0.71284 0.72003 0.73038 0.73362 0.73952 0.75189 0.75472 0.75803 0.76813 0.77302 0.77584 0.78416 0.79113 0.79475 0.79973 0.80218 0.80349 0.80991 0.81152 0.81796 0.82338 0.82898 0.83009 0.83114 0.83523 0.83550 0.84155 0.84857 0.85103 0.85774 0.85999 0.86047 0.86461 0.86762 0.87301 0.87340 0.87625 0.87886 0.88806 0.89098 0.89485 0.89894 0.90320 0.91190 0.91804 0.92147 0.92720 0.93631 0.94053 0.94336 0.94647 0.95088 0.95822 0.96539 0.97168 0.97384 0.99151 0.99689 0.99987 1.00620 1.01205 1.01799 1.02104 1.02696 1.03422 1.03919 1.04568 1.05212 1.05439 1.06489 1.06940 1.07409 1.08296 1.08991 1.10163 1.10546 1.11504 1.12027 1.12534 1.14322 1.15435 1.16481 1.17107 1.19737 1.20530 1.21049 1.22229 1.22615 1.24535 1.24996 1.25405 1.26329 1.27820 1.28862 1.29117 1.30869 1.32312 1.32846 1.33409 1.34190 1.35897 1.36204 1.36707 1.37044 1.37729 1.38792 1.39512 1.40670 1.41035 1.42610 1.42760 1.43040 1.43981 1.45376 1.46553 1.47993 1.48674 1.50115 1.51040 1.52159 1.53398 1.54712 1.55378 1.56899 1.57135 1.58511 1.59568 1.59982 1.61422 1.61669 1.62655 1.63667 1.64381 1.64948 1.66085 1.67310 1.68521 1.69095 1.70889 1.71424 1.71640 1.72141 1.72730 1.73153 1.73609 1.74574 1.74853 1.75426 1.76079 1.76505 1.78808 1.79191 1.79346 1.80371 1.80943 1.81551 1.82097 1.83099 1.83699 1.84004 1.84821 1.85983 1.86336 1.86688 1.87495 1.88025 1.88967 1.89906 1.89978 1.90618 1.91350 1.91725 1.92264 1.93247 1.93854 1.94300 1.94974 1.95613 1.95970 1.96444 1.96925 1.97330 1.97664 1.98297 1.99762 2.00772 2.01364 2.01366 2.02181 2.02349 2.02969 2.03726 2.04258 2.04514 2.05055 2.05618 2.06397 2.07142 2.08149 2.08334 2.09158 2.09818 2.11368 2.11435 2.12308 2.13493 2.13798 2.14743 2.15888 2.16182 2.17211 2.18475 2.18746 2.19825 2.20657 2.20985 2.21420 2.21775 2.22812 2.23984 2.24994 2.25241 2.26332 2.26671 2.27654 2.28092 2.28454 2.29157 2.30670 2.31046 2.32280 2.33647 2.34181 2.35103 2.36885 2.37676 2.38668 2.39860 2.40062 2.40819 2.42409 2.42887 2.43445 2.43750 2.44211 2.44338 2.44871 2.45481 2.46409 2.47054 2.47921 2.49454 2.49742 2.50348 2.51067 2.51591 2.52032 2.52618 2.53309 2.53893 2.54763 2.55441 2.55468 2.55756 2.56665 2.57467 2.57767 2.58473 2.59386 2.60290 2.61726 2.62589 2.63637 2.63865 2.65395 2.65971 2.66057 2.67065 2.68050 2.68768 2.69020 2.69971 2.70118 2.71868 2.72974 2.75088 2.75593 2.75917 2.76170 2.77075 2.77602 2.78733 2.79550 2.82075 2.82649 2.83701 2.84047 2.84978 2.86050 2.86833 2.87870 2.88271 2.89802 2.91278 2.92813 2.93479 2.94317 2.94464 2.96924 2.97381 2.98529 2.99848 3.01512 3.02474 3.04325 3.05309 3.08174 3.08576 3.14074 3.17653 3.19361 3.20828 3.21046 3.22482 3.23296 3.25441 3.26435 3.26744 3.29383 3.30356 3.30609 3.30626 3.31574 3.35472 3.39833 3.40238 3.42470 3.43432 3.44505 3.44685 3.45340 3.45646 3.49366 3.50155 3.51641 3.52857 3.79567 3.89311 3.91453 3.94615 3.96813 4.01207 4.02377 4.04383 4.07419 4.09767 4.13543 4.14049 4.15333 4.17829 4.20120 4.21349 4.23062 4.29069 4.32627 4.33494 4.36726 4.37856 4.39988 4.41494 4.44825 4.46228 4.49572 4.53489 4.55965 4.58969 4.63891 4.66322 4.69869 4.71307 4.81522 4.95009 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 S S O O O O O 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 C C H H H H H H H H H H H H H H H H H H H H H H 0.083811 0.220959 -0.501711 -0.612394 -0.611270 -0.558273 -0.370504 -0.493826 -0.490991 -0.523896 -0.250391 -0.497388 -0.629974 -0.065910 -0.059110 0.590371 0.031508 0.243545 -0.400573 -0.152723 0.362460 -0.250870 0.074830 -0.216734 -0.249274 0.171683 0.475626 -0.044552 0.597057 -0.141115 0.216423 0.278965 -0.313812 0.285016 -0.070699 0.302347 0.301169 0.306008 0.173895 0.175945 0.171770 0.163193 0.181658 0.157391 0.168713 0.160556 0.129137 0.139102 0.143453 0.151327 0.176389 0.154922 0.158037 0.161077 0.130517 0.129252 0.137878 -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 S S O O O O O 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 C C 0.083811 0.220959 -0.501711 -0.612394 -0.611270 -0.558273 -0.370504 -0.493826 -0.490991 -0.221549 -0.250391 -0.497388 -0.022797 0.107985 0.116835 0.590371 0.031508 0.243545 -0.065611 0.186326 0.362460 0.078400 0.074830 0.051504 0.045505 0.348073 0.475626 0.110370 0.597057 0.016922 0.216423 0.278965 -0.152735 0.285016 0.326949 -0.00002 514.620 -12.843 346.879 34.732 17.850 427.064 539.028 -28.614 429.806 31.111 38.240 539.401 -4.3661 -2.9399 -0.0024 -0.0021 -0.0011 5.8609 11.9591 15.1252 17.7660 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 11.4249 14.9977 17.1764 27.2508 33.0925 39.4609 44.9120 48.6015 52.1582 72.7843 76.0459 82.6311 95.7266 111.9960 120.7206 129.2797 139.9698 142.7938 153.2857 158.1970 166.8176 184.4326 205.1712 218.4251 231.5731 253.8192 259.4150 267.7200 278.8726 284.2524 293.4331 307.4872 315.9700 348.9473 379.7004 384.2252 392.4953 417.8502 430.4963 432.7120 453.8558 471.2610 499.0796 501.9571 514.9228 519.3353 529.4104 549.8310 570.9323 585.5800 591.3822 611.8418 613.6361 630.9808 653.9392 660.2188 676.8658 683.1568 684.9339 709.8686 724.5331 730.4567 744.4209 773.2881 776.7933 778.0008 787.2039 805.9863 816.7968 822.0352 829.3254 856.6847 860.0126 893.1072 904.5552 909.8799 924.8255 942.1101 945.2285 961.3222 976.2239 984.3398 1002.8411 1019.0770 1022.0103 1031.0360 1044.3966 1066.5234 1074.3028 1094.5327 1107.3347 1140.7875 1147.1117 1158.3313 1163.4902 1172.1353 1173.1504 1183.4503 1194.0090 1212.0743 1214.0818 1219.5093 1223.6203 1229.5438 1242.2188 1254.7976 1259.8175 1270.3995 1277.2951 1292.7506 1305.5851 1313.4170 1316.9521 1326.3202 1340.7512 1351.5981 1359.3939 1370.8869 1375.2854 1379.0165 1391.8273 1407.3200 1469.4019 1469.6140 1474.3168 1480.7180 1483.3480 1497.7141 1503.5833 1507.7904 1508.6956 1525.2703 1525.3062 1543.2703 1585.4630 1640.2256 1644.4926 1655.5966 1663.1700 1671.0703 1720.6673 1742.2409 1843.4964 3048.7631 3050.5183 3050.6328 3051.8420 3082.1621 3102.8080 3104.3847 3112.9182 3115.1972 3120.2402 3129.7896 3133.3324 3142.6297 3169.6614 3180.2457 3199.1174 3218.2174 3241.8809 3307.5935 3571.0991 3597.5378 3684.4133 8.0450 6.6817 5.5526 6.3962 6.5098 6.4123 6.8463 8.0155 8.8656 9.6392 6.3821 2.4313 5.7673 5.1869 5.0654 3.2031 2.7876 2.0448 3.7100 4.7344 4.2273 3.9239 5.5377 3.9314 6.3833 5.4136 2.9669 8.9658 5.9177 6.1477 5.2064 1.3307 4.0737 4.2302 3.9699 4.2953 4.7072 5.2608 8.6759 7.5069 4.2682 3.2074 4.5131 1.9836 3.1405 3.9346 5.1719 4.9877 2.9178 1.7384 4.2900 4.2674 3.5781 3.7976 6.8523 5.0063 5.9989 5.4566 2.8423 3.8553 2.5959 2.0265 7.6150 5.4638 5.3402 5.9316 6.3858 7.9070 3.7187 1.9981 2.6785 4.4754 2.4452 1.7996 1.9555 3.1980 2.5988 5.9800 3.3491 3.3584 4.6989 1.3408 3.7958 1.3215 2.3338 4.0739 3.1545 1.7299 4.8908 7.9875 2.3906 3.0266 2.3059 1.6765 1.5185 1.2636 1.2527 1.7185 1.6800 1.6019 1.5393 1.9514 1.9115 1.8100 1.4029 1.4114 2.1502 1.5887 1.4362 1.3599 1.2585 3.3108 2.2876 1.9611 1.3394 1.9205 1.5117 3.3593 3.7643 5.2435 2.1465 3.0480 1.1246 1.1369 1.1358 1.1612 1.0479 1.4595 1.0630 1.1068 1.7585 4.1625 2.1005 2.0605 2.9690 7.1939 1.6372 7.5764 6.9368 5.7451 12.2263 10.8276 12.9254 1.0632 1.0303 1.0686 1.0676 1.0655 1.0886 1.1003 1.0634 1.0956 1.0939 1.1083 1.0842 1.1044 1.1048 1.1055 1.0976 1.0920 1.0958 1.0952 1.0477 1.0777 1.1005 0.0006 0.0009 0.0010 0.0028 0.0042 0.0059 0.0081 0.0112 0.0142 0.0301 0.0217 0.0098 0.0311 0.0383 0.0435 0.0315 0.0322 0.0246 0.0514 0.0698 0.0693 0.0786 0.1373 0.1105 0.2017 0.2055 0.1176 0.3786 0.2712 0.2927 0.2641 0.0741 0.2396 0.3035 0.3372 0.3736 0.4273 0.5412 0.9473 0.8281 0.5180 0.4197 0.6623 0.2945 0.4906 0.6252 0.8541 0.8884 0.5604 0.3512 0.8840 0.9412 0.7938 0.8908 1.7265 1.2857 1.6193 1.5004 0.7856 1.1446 0.8029 0.6371 2.4863 1.9250 1.8985 2.1154 2.3315 3.0264 1.4617 0.7955 1.0854 1.9352 1.0656 0.8457 0.9427 1.5599 1.3096 3.1272 1.7630 1.8286 2.6385 0.7654 2.2491 0.8086 1.4362 2.5515 2.0272 1.1594 3.3257 5.6379 1.7271 2.3207 1.7877 1.3253 1.2111 1.0229 1.0158 1.4181 1.4111 1.3865 1.3369 1.7099 1.6862 1.6122 1.2755 1.3093 2.0107 1.5107 1.3806 1.3391 1.2639 3.3651 2.3376 2.0326 1.4186 2.0671 1.6459 3.7197 4.1949 5.8750 2.4499 3.5567 1.4306 1.4467 1.4545 1.5000 1.3585 1.9289 1.4159 1.4825 2.3583 5.7056 2.8793 2.8915 4.3971 11.4031 2.6087 12.2355 11.3054 9.4523 21.3274 19.3642 25.8808 5.8227 5.6489 5.8592 5.8585 5.9637 6.1747 6.2476 6.0714 6.2644 6.2748 6.3965 6.2713 6.4262 6.5395 6.5877 6.6183 6.6637 6.7856 7.0596 7.8720 8.2180 8.8022 4.5506 0.6050 3.8890 0.7226 0.7375 1.6953 1.8959 7.8856 5.7197 2.7827 7.8737 0.3069 11.3701 2.6105 3.4997 6.9978 11.4700 1.0132 5.3166 8.0305 0.0639 2.0410 16.6783 1.8820 3.1847 6.5800 3.9710 10.7285 10.4585 6.6168 19.7949 51.9908 17.4049 3.0498 68.8113 2.0034 15.2458 12.3617 8.9928 2.0253 8.5893 2.3699 108.4639 220.3162 8.3659 123.3931 6.4428 7.8823 49.9665 104.7306 34.1074 7.1833 99.4415 2.3611 16.9537 13.1360 2.3867 7.3326 10.8874 10.1324 33.3816 3.4032 50.9725 3.1401 64.8414 6.2746 51.6616 82.5549 9.5628 43.5181 4.8396 93.0431 10.6798 1.9176 14.8155 8.1242 2.7576 99.2996 37.1816 12.1455 14.8789 0.3528 1.6619 1.6642 0.2661 65.1290 63.8196 3.0876 178.4712 498.6452 24.1385 49.1092 86.1284 127.4989 74.7335 1.3452 0.9838 24.7977 3.7081 36.9508 49.6862 53.4016 10.2206 13.7986 39.1638 29.6122 39.6550 19.8846 10.3097 22.2169 32.2284 126.5348 63.8146 12.8627 24.8840 197.6280 4.3697 195.1691 225.1682 206.1083 100.9669 316.8419 6.9829 5.2254 12.6892 13.3793 8.7615 11.4026 43.9733 2.3898 142.3046 32.0629 13.7191 860.1142 155.3640 50.5171 254.6084 142.1665 158.3090 31.4964 634.8195 410.6309 1087.6809 36.7009 105.3042 20.9263 10.0699 38.0101 18.7235 17.5549 28.5259 20.0655 11.8398 42.0709 24.2742 29.6843 19.1605 7.8928 113.6654 1.6620 1.7011 12.9712 93.8425 94.4586 65.4516 0.06 -0.08 0.05 -0.12 0.16 -0.07 -0.03 -0.14 -0.01 -0.09 -0.04 -0.01 -0.04 -0.05 0.00 0.00 -0.10 0.02 -0.01 -0.05 0.01 0.01 -0.10 0.02 0.02 0.05 -0.00 0.03 -0.16 0.04 0.01 -0.09 0.02 -0.01 0.09 -0.02 -0.04 0.25 -0.06 0.04 -0.11 0.04 0.02 -0.15 0.04 -0.01 -0.13 0.01 0.02 -0.03 0.02 -0.01 -0.06 0.01 0.05 -0.04 0.04 0.01 0.01 0.01 0.05 0.08 -0.01 0.07 0.08 -0.01 0.06 0.11 -0.02 0.09 0.13 -0.02 0.09 0.14 -0.02 0.01 0.05 -0.00 -0.05 -0.05 -0.00 0.05 0.12 -0.02 0.01 -0.11 0.02 0.02 0.08 -0.01 -0.01 -0.06 0.01 -0.04 0.02 -0.01 -0.10 0.05 -0.04 -0.05 0.17 -0.05 0.01 -0.09 0.02 0.02 -0.15 0.03 0.02 0.25 -0.04 -0.05 0.31 -0.07 0.05 -0.11 0.05 0.03 -0.17 0.04 0.07 -0.04 0.04 0.07 -0.02 0.04 -0.03 0.01 0.00 0.03 0.02 0.01 0.10 0.06 -0.00 0.05 0.08 -0.01 0.11 0.13 -0.02 0.06 0.15 -0.02 0.09 0.18 -0.03 0.13 0.14 -0.02 -0.02 0.02 0.00 0.06 0.14 -0.02 0.00 0.08 -0.01 -0.12 0.00 -0.04 0.08 -0.10 0.04 -0.03 -0.16 0.03 -0.01 -0.05 0.01 0.01 0.09 0.13 0.02 0.01 -0.11 -0.02 0.03 0.10 0.14 0.04 -0.09 -0.07 -0.03 -0.08 0.03 0.02 0.05 -0.07 -0.09 0.02 -0.00 0.04 0.07 0.01 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