Gaussian 16 GINC-PAUL21 MR11XIBY Title AS64L-G16RevC.01 19-Mar-2025 Gaussian 16 3-Jul-2019 AS64L-G16RevC.01 39 39 196 197 1282 (5D, 7F) def2TZVPP 111 111 C1[X(C8H8B12I11)] C1[X(C8H8B12I11)] UM062X def2TZVPP FTS # opt=(ts,noeigentest,calcfc,maxstep=3) freq=noraman m062x/def2tzvpp pop=npa empiricaldispersion=gd3 scf=(maxconventionalcycles=150,xqc) guess=mix 1621.76677 -2 2 AuxInfo=1/0/N:20,22,36,32,34,30,31,29;2,1,6,10,3,5,7,25,8,4,9,27,11,15,19,12,14,16,26,17,13,18,28/E:(4,5)(6,7);(2,3,4,5,6)(7,8,9,10,11)(13,14,15,16,17)(18,19,20,21,22)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3;1.5,2.6,3.6,4.6,5.6,6.6,7.6,8.6,9.6,10.6,11.6,12.6/rA:39nB6B5B6B6B6B6B6B6B6B6IIIIIIIIIC3HC3HHB6IB6IC3C3C3C3HC3HC3HHH/rB:s1;s2;;s2s3s4;s1s2s3;s1s6;s3s6s7;s3s4s5s8;s1s2s4s5;s1;s3;s4;s5;s6;s7;s8;s9;s10;;s20;s20;s22;s20;s1s4s7s10;s25;s4s7s8s9s25;s27;s22;s29;s29;s30;s30;s31;s31;s32s34;s32;s34;s36;/rC:.3746,1.6748,.0415;1.0648,.3659,.9599;-.1642,-.7124,1.5569;-.0851,-.8286,-1.3325;.8407,-1.1639,.1593;-.4555,1.0413,1.4827;-1.3929,1.3949,.0017;-1.7289,-.0946,.9478;-.9214,-1.4686,.1228;1.1787,.3133,-.7777;1.2325,3.6918,.0199;.0342,-1.7497,3.4759;.1555,-2.0252,-3.1334;2.2917,-2.8009,.2798;-.6735,2.2418,3.3044;-2.819,3.0353,-.097;-3.5823,-.3546,2.0579;-1.746,-3.481,.1845;3.0724,.5737,-1.8392;3.1432,1.2021,2.4731;2.3645,1.9188,2.7426;4.17,1.5756,1.6897;4.1692,2.5931,1.2859;3.0799,.2121,2.9328;-.3759,.9408,-1.4068;-.5056,2.004,-3.3002;-1.6715,-.1595,-.8412;-3.4672,-.5042,-2.0198;5.2976,.7306,1.2767;5.3155,-.6581,1.4885;6.3946,1.3119,.6212;6.3952,-1.428,1.0702;4.4518,-1.1455,1.943;7.4794,.5424,.2079;6.3794,2.3867,.4259;7.487,-.8338,.4331;6.3709,-2.5087,1.2238;8.3182,1.0185,-.3049;8.3286,-1.4434,.0977; /software/all/Gaussian/g16.C02/bin/g16 /home/sc.uni-leipzig.de/hk42dyvu/Software/linux64load_C01_GeForce/l1.exe "/work/mr11xiby-G16-12841825/Gau-770865.inp" -scrdir="/work/mr11xiby-G16-12841825/" Mem=382GB CPU=0-127 Chk=/home/sc.uni-leipzig.de/mr11xiby/g16/chk/B12I11_Styrol_rad_PRC_TS_M06.chk # opt=(ts,noeigentest,calcfc,maxstep=3) freq=noraman m062x/def2tzvpp p 1/5=1,8=3,10=4,11=1,18=20,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=44,7=202,11=2,25=1,30=1,71=2,74=-55,124=31,140=1/1,2,3 4/13=-1/1 5/5=2,8=3,13=1,38=5,85=150/2,8 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1,13=1/2 6/7=2,8=2,9=2,10=2,28=1,40=-1/1,7 7/10=1,25=1/1,2,3,16 1/5=1,8=3,10=4,11=1,18=20,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=44,7=202,11=2,25=1,30=1,71=1,74=-55,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,8=3,13=1,38=5,85=150/2,8 7//1,2,3,16 1/5=1,8=3,11=1,18=20,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1,40=-1/1,7 99/9=1/99 Title Add virtual bond connecting atoms C20 and B2 Dist= 5.11D+00. Add virtual bond connecting atoms H21 and B2 Dist= 5.10D+00. Add virtual bond connecting atoms H24 and B2 Dist= 5.34D+00. Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 1 1 1 1 1 1 2 2 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 4 5 5 5 6 6 6 7 7 7 7 8 8 8 9 9 10 10 20 20 20 22 22 25 25 27 29 29 30 30 31 31 32 32 34 34 36 2 6 7 10 11 25 3 5 6 10 20 21 24 5 6 8 9 12 5 9 10 13 25 27 9 10 14 7 8 15 8 16 25 27 9 17 27 18 27 19 25 21 22 24 23 29 26 27 28 30 31 32 33 34 35 36 37 36 38 39 1.7416 1.7797 1.7899 1.7808 2.1919 1.7887 1.7406 1.7411 1.7438 1.7422 2.7034 2.6978 2.8243 1.7796 1.7792 1.789 1.7894 2.1904 1.7875 1.7964 1.7914 2.1755 1.7947 1.7905 1.7887 1.7816 2.1909 1.788 1.7882 2.1926 1.7963 2.1759 1.7956 1.79 1.7946 2.176 1.7911 2.1757 1.7904 2.1865 1.7906 1.092 1.3445 1.0933 1.0947 1.4684 2.1754 1.7914 2.1754 1.4048 1.4038 1.3905 1.0909 1.3928 1.0926 1.3968 1.0919 1.3946 1.0924 1.0919 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 2 2 2 6 6 6 7 7 10 11 1 1 1 1 1 3 3 3 3 5 5 5 5 6 6 6 6 10 10 10 21 2 2 2 5 5 5 6 6 8 9 5 5 5 9 9 9 10 10 13 13 2 2 2 3 3 3 4 9 9 10 1 1 1 2 2 2 3 3 7 8 1 1 1 6 6 6 8 8 16 16 3 3 3 6 6 6 7 7 9 17 3 3 3 4 4 5 5 5 8 18 1 1 1 2 2 2 4 5 5 19 2 21 21 22 20 20 23 1 1 1 4 4 7 7 10 10 26 4 4 4 7 7 8 8 9 9 25 22 22 30 29 29 32 29 29 34 30 30 36 31 31 36 32 32 34 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 20 20 20 20 22 22 22 25 25 25 25 25 25 25 25 25 25 27 27 27 27 27 27 27 27 27 27 29 29 29 30 30 30 31 31 31 32 32 32 34 34 34 36 36 36 7 11 25 10 11 25 10 11 11 25 3 5 20 21 24 10 20 21 24 6 20 21 24 10 20 21 24 20 21 24 24 8 9 12 6 8 12 9 12 12 12 13 25 27 10 13 25 13 27 25 27 4 9 14 4 10 14 14 10 14 14 3 8 15 7 8 15 7 15 15 15 8 16 27 16 25 27 16 25 25 27 7 17 27 9 17 27 9 17 17 27 4 18 27 8 18 8 18 27 18 27 4 5 19 4 19 25 19 19 25 25 22 22 24 24 23 29 29 4 26 27 7 26 10 26 26 27 27 7 8 28 9 28 25 28 25 28 28 30 31 31 32 33 33 34 35 35 36 37 37 36 38 38 34 39 39 106.5914 122.7927 106.5515 108.1167 121.2024 108.2933 108.4276 122.0164 121.4824 122.2674 111.5061 111.5178 111.5572 96.1342 133.797 111.6861 122.8537 118.043 103.3264 111.4645 128.9095 150.6409 111.419 111.5726 112.501 89.9456 115.7077 121.1553 130.1613 130.4231 39.2889 106.6697 106.6028 121.9978 108.0435 108.3065 121.1106 108.2891 121.2101 122.7536 122.7057 122.0358 107.6583 107.4566 107.7346 121.7492 108.0154 121.9369 107.5683 121.7327 122.0526 106.5991 106.6098 123.0918 108.3837 108.0465 121.357 121.9436 108.5051 121.7571 121.5216 107.9553 108.4225 121.6198 106.5818 106.5687 123.2157 108.3795 121.4178 121.8555 121.7029 107.6173 122.0254 107.4555 122.0231 107.623 107.4519 121.7657 108.0212 121.756 122.0919 107.5823 122.003 107.4307 107.6652 121.9933 107.3956 107.9725 121.8089 121.7551 122.1737 107.5622 121.908 107.4466 108.0107 121.9322 107.6649 122.0305 107.4081 121.6431 122.1927 108.1362 107.8373 121.5566 106.3834 122.4975 106.4432 122.4496 121.2239 108.0955 122.6587 110.3006 120.4036 116.6963 122.7279 118.1979 126.1962 115.5781 107.6454 121.9475 107.4518 107.9801 121.8392 107.745 121.6905 121.9252 107.5656 122.131 108.4099 108.4199 121.5662 108.4301 121.4125 108.4349 121.3642 108.424 121.4454 121.5524 122.4274 119.5415 118.0191 120.7859 119.6281 119.5198 121.2264 118.6842 120.0845 120.5753 119.2365 120.1723 120.1007 119.7813 120.1131 119.286 120.3399 120.3634 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 D339 7 7 7 7 7 11 11 11 11 11 25 25 25 25 25 10 10 10 11 11 11 25 25 25 2 2 2 10 10 10 11 11 11 6 6 6 7 7 7 11 11 11 2 2 2 6 6 6 11 11 11 1 1 1 10 10 10 20 20 20 21 21 21 24 24 24 1 1 1 6 6 6 20 20 20 21 21 21 24 24 24 5 5 5 10 10 10 20 20 20 21 21 21 24 24 24 3 3 3 6 6 6 20 20 20 21 21 21 24 24 24 1 3 5 6 10 6 6 6 8 8 8 12 12 12 5 5 5 9 9 9 12 12 12 2 2 2 5 5 5 12 12 12 2 2 2 6 6 6 12 12 12 13 13 13 25 25 25 27 27 27 10 10 10 13 13 13 25 25 25 9 9 9 13 13 13 27 27 27 5 5 5 9 9 9 13 13 13 5 5 5 10 10 10 13 13 13 2 2 2 10 10 10 14 14 14 3 3 3 9 9 9 14 14 14 2 2 2 3 3 3 15 15 15 1 1 1 2 2 2 15 15 15 1 1 1 16 16 16 25 25 25 6 6 6 8 8 8 16 16 16 1 1 1 6 6 6 16 16 16 6 6 6 7 7 7 17 17 17 3 3 3 6 6 6 17 17 17 3 3 3 5 5 5 18 18 18 2 2 2 5 5 5 19 19 19 2 2 21 21 24 24 20 20 23 23 1 1 1 10 10 10 26 26 26 22 22 31 31 22 22 30 30 29 29 33 33 29 29 35 35 30 30 37 37 31 31 38 38 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 20 20 20 20 20 20 22 22 22 22 25 25 25 25 25 25 25 25 25 29 29 29 29 29 29 29 29 30 30 30 30 31 31 31 31 32 32 32 32 34 34 34 34 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 25 25 25 25 25 25 25 25 25 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 20 20 20 20 20 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 5 5 5 5 5 5 5 5 5 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 25 25 25 25 25 25 25 25 25 27 27 27 27 27 27 27 27 27 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 25 25 25 25 25 25 25 25 25 27 27 27 27 27 27 27 27 27 9 9 9 9 9 9 9 9 9 27 27 27 27 27 27 27 27 27 27 27 27 27 27 27 27 27 27 25 25 25 25 25 25 25 25 25 22 22 22 22 22 22 29 29 29 29 27 27 27 27 27 27 27 27 27 30 30 30 30 31 31 31 31 32 32 32 32 34 34 34 34 36 36 36 36 36 36 36 36 3 5 20 21 24 3 5 20 21 24 3 5 20 21 24 3 8 15 3 8 15 3 8 15 8 16 27 8 16 27 8 16 27 4 5 19 4 5 19 4 5 19 4 26 27 4 26 27 4 26 27 8 9 12 8 9 12 8 9 12 8 9 12 8 9 12 4 9 14 4 9 14 4 9 14 4 9 14 4 9 14 7 8 15 7 8 15 7 8 15 7 8 15 7 8 15 4 19 25 4 19 25 4 19 25 4 19 25 4 19 25 22 22 22 22 22 4 10 14 4 10 14 4 10 14 1 7 15 1 7 15 1 7 15 7 17 27 7 17 27 7 17 27 4 18 27 4 18 27 4 18 27 2 3 14 2 3 14 2 3 14 3 8 18 3 8 18 3 8 18 1 2 19 1 2 19 1 2 19 1 7 26 1 7 26 1 7 26 7 8 28 7 8 28 7 8 28 8 18 27 8 18 27 8 18 27 1 19 25 1 19 25 1 19 25 16 25 27 16 25 27 16 25 27 9 17 27 9 17 27 9 17 27 3 9 17 3 9 17 3 9 17 4 10 26 4 10 26 4 10 26 4 9 28 4 9 28 4 9 28 4 5 18 4 5 18 4 5 18 4 25 28 4 25 28 4 25 28 7 25 28 7 25 28 7 25 28 7 26 27 7 26 27 7 26 27 23 29 23 29 23 29 30 31 30 31 8 9 28 8 9 28 8 9 28 32 33 32 33 34 35 34 35 36 37 36 37 36 38 36 38 34 39 34 39 32 39 32 39 -1.8403 64.8126 -143.3409 -125.2466 -137.9826 146.3745 -146.9726 4.8738 22.9682 10.2321 -64.9754 1.6775 153.524 171.6183 158.8823 0.0505 -63.6705 147.5096 -147.1496 149.1294 0.3094 63.8008 0.0798 -148.7402 1.101 149.3265 -62.0705 63.5407 -148.2338 0.3692 -147.4173 0.8082 149.4112 63.5766 0.11 -146.6823 -0.094 -63.5605 149.6472 -149.3334 147.2 0.4077 -0.9847 -149.2792 62.1723 -63.4798 148.2257 -0.3228 147.8687 -0.4258 -148.9743 1.8269 64.9479 -146.7162 -64.8748 -1.7538 146.5821 138.2606 -158.6184 -10.2825 111.7051 174.8262 -36.8379 150.8996 -145.9793 2.3566 -1.684 -64.9092 146.8824 64.8833 1.6581 -146.5503 -147.3545 149.4202 1.2118 -160.9385 135.8362 -12.3722 -164.2024 132.5724 -15.636 -64.8533 -1.6435 146.5859 1.8534 65.0632 -146.7074 141.8448 -154.9453 -6.7159 135.733 -161.0571 -12.8277 166.4788 -130.3113 17.9181 1.7813 -146.4717 64.7567 -64.8583 146.8887 -1.883 159.0945 10.8416 -137.9301 -174.2682 37.4788 -111.2928 133.4298 -14.8232 -163.5949 -67.0002 156.5852 78.6597 -133.8434 1.8391 -63.5325 0.2604 147.6616 0.1339 63.9268 -148.672 150.0466 -146.1605 1.2407 -0.1921 63.5492 -147.7301 -63.8589 -0.1176 148.6032 146.1888 -150.0699 -1.3491 -1.0639 -149.2801 62.0315 -63.5035 148.2804 -0.4081 147.1843 -1.0319 -149.7203 1.0017 149.2771 -62.1237 63.5373 -148.1874 0.4118 -147.0561 1.2192 149.8184 149.2462 -148.3497 0.2363 1.0 63.4041 -148.0099 -62.211 0.1932 148.7791 0.0506 63.2834 -148.2154 148.3717 -148.3954 0.1058 -63.2374 -0.0045 148.4966 -63.3957 -1.0809 147.1909 148.3552 -149.33 -1.0582 -0.2181 62.0967 -149.6315 -0.0092 -63.2809 148.3269 63.2311 -0.0407 -148.4328 -148.3718 148.3564 -0.0357 63.3827 -0.4473 -148.4925 0.4482 -63.3818 148.573 -148.0809 148.0891 0.0439 -0.995 -149.0649 62.2026 -63.4435 148.4867 -0.2459 147.7336 -0.3363 -149.0689 -0.2287 146.6962 -63.7666 63.5239 -149.5512 -0.014 -147.5655 -0.6406 148.8966 -149.272 -1.0599 62.1349 148.3702 -63.4176 -0.2229 -0.1862 148.026 -148.7793 63.3483 -148.4178 0.1946 0.9558 149.1897 -62.1979 -147.8627 0.3711 148.9836 -0.0237 -63.2733 148.2673 -148.3491 148.4013 -0.0582 63.1764 -0.0732 -148.5327 63.2773 -0.0529 -148.274 0.0704 -63.2598 148.5191 -148.4078 148.2621 0.0409 -0.5049 63.3351 -148.6882 -63.3606 0.4794 148.4562 148.0727 -148.0873 -0.1106 -63.1466 0.0233 148.2426 0.048 63.218 -148.5627 148.528 -148.3021 -0.0828 0.5288 -63.229 148.651 63.3622 -0.3956 -148.5156 -148.0945 148.1477 0.0277 -0.5511 63.252 -148.5153 -63.3902 0.4129 148.6456 147.9391 -148.2578 -0.0251 1.145 149.2758 -62.0169 63.4304 -148.4388 0.2685 -147.5641 0.5667 149.274 84.2036 -93.7887 -3.5657 178.4421 -178.6358 3.372 10.6775 -170.6056 -167.3608 11.3561 0.4445 -63.3152 148.4928 63.3373 -0.4223 -148.6143 -148.0337 148.2067 0.0146 179.294 2.2653 0.5584 -176.4702 -179.6603 -0.4651 -0.8871 178.3081 0.1748 -178.3778 177.2066 -1.3459 0.4809 179.6693 -178.7032 0.4853 -0.596 -179.413 177.943 -0.874 0.2709 179.0876 -178.9148 -0.0981 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 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analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 1489 A 1282 A 2355 1489 7946.1738608517 39 1.00e+00 60 F Berny optimization. saddle point Step number 22 out of a maximum of 234 All quantities printed in internal units (Hartrees-Bohrs-Radians) -0.00590 0.00102 0.00268 0.00407 0.00563 0.00934 0.01163 0.01231 0.01268 0.01297 0.01309 0.01417 0.01432 0.01442 0.01484 0.01530 0.01534 0.01627 0.01647 0.01717 0.01748 0.01860 0.01893 0.01897 0.01947 0.02095 0.02131 0.02153 0.02159 0.02162 0.02226 0.02272 0.02284 0.02295 0.02300 0.02333 0.02355 0.02399 0.02411 0.02441 0.02463 0.02472 0.02506 0.02545 0.02580 0.02604 0.02738 0.02816 0.02859 0.03070 0.03356 0.03367 0.03508 0.03524 0.03536 0.03625 0.03635 0.05278 0.06207 0.06365 0.06540 0.06670 0.06735 0.06814 0.06868 0.07258 0.08096 0.08447 0.08665 0.08712 0.08752 0.08978 0.10537 0.11116 0.11640 0.11982 0.12010 0.12506 0.12569 0.12806 0.12859 0.12895 0.13065 0.13319 0.13632 0.13671 0.13728 0.13809 0.13874 0.14091 0.17357 0.18913 0.18959 0.19530 0.23229 0.24524 0.27345 0.27923 0.33258 0.33841 0.34027 0.34265 0.34362 0.34425 0.35896 0.41063 0.42383 0.45897 0.46299 0.50594 0.57910 1.234562062e-11 0.00000000e+00 Linear search 1 2 0.00003656 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 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 D339 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1.89081 2.11316 1.89036 2.11498 2.14320 2.14234 2.12832 1.87919 1.87572 1.87975 2.12427 1.88540 2.12858 1.87680 2.12585 2.13122 1.85987 1.85995 2.14266 1.89097 1.88486 2.11828 2.13253 1.89282 2.13138 2.11807 1.88376 1.89202 2.12215 1.86002 1.85962 2.14981 1.89173 2.11956 2.12705 2.12529 1.87811 2.12905 1.87502 2.12942 1.87855 1.87511 2.12616 1.88506 2.12475 2.13180 1.87771 2.12912 1.87499 1.87913 2.12925 1.87445 1.88473 2.12626 2.12471 2.13232 1.87754 2.12854 1.87500 1.88489 2.12755 1.87941 2.12999 1.87480 2.12324 2.13199 1.88825 1.88332 2.12171 1.85756 2.13951 1.85850 2.13501 2.11537 1.88826 2.13861 1.89729 2.09873 2.03207 2.14626 2.06058 2.20681 2.01529 1.87859 2.12927 1.87517 1.88470 2.12585 1.88005 2.12427 2.12866 1.87660 2.13123 1.89215 1.89226 2.12153 1.89254 2.11876 1.89259 2.11873 1.89226 2.12031 2.12074 2.14343 2.08135 2.05835 2.10848 2.08899 2.08506 2.11724 2.07026 2.09557 2.10477 2.08299 2.09518 2.09559 2.09087 2.09662 2.08179 2.10006 2.10114 -0.03142 1.13230 -2.49619 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YES YES YES -1.814415e-10 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 1 1 1 1 1 1 2 2 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 4 5 5 5 6 6 6 7 7 7 7 8 8 8 9 9 10 10 20 20 20 22 22 25 25 27 29 29 30 30 31 31 32 32 34 34 36 2 6 7 10 11 25 3 5 6 10 20 21 24 5 6 8 9 12 5 9 10 13 25 27 9 10 14 7 8 15 8 16 25 27 9 17 27 18 27 19 25 21 22 24 23 29 26 27 28 30 31 32 33 34 35 36 37 36 38 39 1.7349 1.7732 1.7825 1.7733 2.1818 1.7812 1.7337 1.7347 1.7371 1.735 2.6231 2.6354 2.7928 1.7732 1.7727 1.782 1.782 2.1806 1.781 1.7896 1.7837 2.1656 1.7883 1.7839 1.7819 1.7744 2.1782 1.781 1.7812 2.1819 1.7898 2.166 1.7889 1.7836 1.7881 2.1662 1.7843 2.1658 1.7842 2.1784 1.7831 1.0821 1.3398 1.0837 1.0854 1.4626 2.1659 1.7847 2.1655 1.3987 1.3981 1.3842 1.0817 1.3859 1.0834 1.3904 1.0826 1.3886 1.083 1.0825 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 2 2 2 6 6 6 7 7 10 11 1 1 1 1 1 3 3 3 3 5 5 5 5 6 6 6 6 10 10 10 21 2 2 2 5 5 5 6 6 8 9 5 5 5 9 9 9 10 10 13 13 2 2 2 3 3 3 4 9 9 10 1 1 1 2 2 2 3 3 7 8 1 1 1 6 6 6 8 8 16 16 3 3 3 6 6 6 7 7 9 17 3 3 3 4 4 5 5 5 8 18 1 1 1 2 2 2 4 5 5 19 2 21 21 22 20 20 23 1 1 1 4 4 7 7 10 10 26 4 4 4 7 7 8 8 9 9 25 22 22 30 29 29 32 29 29 34 30 30 36 31 31 36 32 32 34 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 20 20 20 20 22 22 22 25 25 25 25 25 25 25 25 25 25 27 27 27 27 27 27 27 27 27 27 29 29 29 30 30 30 31 31 31 32 32 32 34 34 34 36 36 36 7 11 25 10 11 25 10 11 11 25 3 5 20 21 24 10 20 21 24 6 20 21 24 10 20 21 24 20 21 24 24 8 9 12 6 8 12 9 12 12 12 13 25 27 10 13 25 13 27 25 27 4 9 14 4 10 14 14 10 14 14 3 8 15 7 8 15 7 15 15 15 8 16 27 16 25 27 16 25 25 27 7 17 27 9 17 27 9 17 17 27 4 18 27 8 18 8 18 27 18 27 4 5 19 4 19 25 19 19 25 25 22 22 24 24 23 29 29 4 26 27 7 26 10 26 26 27 27 7 8 28 9 28 25 28 25 28 28 30 31 31 32 33 33 34 35 35 36 37 37 36 38 38 34 39 39 106.5986 122.4724 106.5709 108.1042 121.2564 108.3179 108.4331 122.3571 121.2372 122.4033 111.5178 111.5326 111.6649 93.7969 132.9246 111.6617 122.5867 120.6302 101.5354 111.5085 128.9434 152.1681 113.445 111.5594 112.2795 90.2829 112.0786 121.4744 127.4978 133.9385 39.5162 106.6587 106.6008 121.9435 108.0636 108.3352 121.0749 108.3095 121.1795 122.7965 122.7471 121.9439 107.6697 107.4707 107.7017 121.7115 108.0253 121.9588 107.5328 121.8024 122.1097 106.5627 106.5671 122.7657 108.3443 107.9942 121.3687 122.1848 108.4506 122.119 121.3567 107.9316 108.4047 121.5905 106.5716 106.5484 123.1755 108.3879 121.4419 121.8706 121.7699 107.608 121.9856 107.4308 122.0066 107.6327 107.4357 121.82 108.0061 121.7392 122.1434 107.585 121.9895 107.4289 107.6661 121.9973 107.3984 107.987 121.8259 121.737 122.1732 107.5752 121.9559 107.4299 107.9963 121.8996 107.6826 122.0392 107.4183 121.6523 122.1541 108.1884 107.9061 121.5654 106.4305 122.5852 106.4841 122.327 121.2016 108.1894 122.5333 108.7054 120.2483 116.4287 122.9718 118.0625 126.4409 115.4678 107.6351 121.9981 107.4395 107.9852 121.8019 107.719 121.7119 121.9633 107.5212 122.1101 108.4124 108.4183 121.5546 108.4344 121.396 108.4376 121.3942 108.4187 121.4846 121.5097 122.8092 119.2524 117.935 120.8068 119.6902 119.465 121.3089 118.6171 120.0672 120.5944 119.3467 120.045 120.0685 119.7982 120.1274 119.2779 120.3245 120.3862 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 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D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 7 7 7 7 7 11 11 11 11 11 25 25 25 25 25 10 10 10 11 11 11 25 25 25 2 2 2 10 10 10 11 11 11 6 6 6 7 7 7 11 11 11 2 2 2 6 6 6 11 11 11 1 1 1 10 10 10 20 20 20 21 21 21 24 24 24 1 1 1 6 6 6 20 20 20 21 21 21 24 24 24 5 5 5 10 10 10 20 20 20 21 21 21 24 24 24 3 3 3 6 6 6 20 20 20 21 21 21 24 24 24 1 3 5 6 10 6 6 6 8 8 8 12 12 12 5 5 5 9 9 9 12 12 12 2 2 2 5 5 5 12 12 12 2 2 2 6 6 6 12 12 12 13 13 13 25 25 25 27 27 27 10 10 10 13 13 13 25 25 25 9 9 9 13 13 13 27 27 27 5 5 5 9 9 9 13 13 13 5 5 5 10 10 10 13 13 13 2 2 2 10 10 10 14 14 14 3 3 3 9 9 9 14 14 14 2 2 2 3 3 3 15 15 15 1 1 1 2 2 2 15 15 15 1 1 1 16 16 16 25 25 25 6 6 6 8 8 8 16 16 16 1 1 1 6 6 6 16 16 16 6 6 6 7 7 7 17 17 17 3 3 3 6 6 6 17 17 17 3 3 3 5 5 5 18 18 18 2 2 2 5 5 5 19 19 19 2 2 21 21 24 24 20 20 23 23 1 1 1 10 10 10 26 26 26 22 22 31 31 22 22 30 30 29 29 33 33 29 29 35 35 30 30 37 37 31 31 38 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 20 20 20 20 20 20 22 22 22 22 25 25 25 25 25 25 25 25 25 29 29 29 29 29 29 29 29 30 30 30 30 31 31 31 31 32 32 32 32 34 34 34 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 25 25 25 25 25 25 25 25 25 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 20 20 20 20 20 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 5 5 5 5 5 5 5 5 5 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 25 25 25 25 25 25 25 25 25 27 27 27 27 27 27 27 27 27 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 25 25 25 25 25 25 25 25 25 27 27 27 27 27 27 27 27 27 9 9 9 9 9 9 9 9 9 27 27 27 27 27 27 27 27 27 27 27 27 27 27 27 27 27 27 25 25 25 25 25 25 25 25 25 22 22 22 22 22 22 29 29 29 29 27 27 27 27 27 27 27 27 27 30 30 30 30 31 31 31 31 32 32 32 32 34 34 34 34 36 36 36 36 36 36 36 3 5 20 21 24 3 5 20 21 24 3 5 20 21 24 3 8 15 3 8 15 3 8 15 8 16 27 8 16 27 8 16 27 4 5 19 4 5 19 4 5 19 4 26 27 4 26 27 4 26 27 8 9 12 8 9 12 8 9 12 8 9 12 8 9 12 4 9 14 4 9 14 4 9 14 4 9 14 4 9 14 7 8 15 7 8 15 7 8 15 7 8 15 7 8 15 4 19 25 4 19 25 4 19 25 4 19 25 4 19 25 22 22 22 22 22 4 10 14 4 10 14 4 10 14 1 7 15 1 7 15 1 7 15 7 17 27 7 17 27 7 17 27 4 18 27 4 18 27 4 18 27 2 3 14 2 3 14 2 3 14 3 8 18 3 8 18 3 8 18 1 2 19 1 2 19 1 2 19 1 7 26 1 7 26 1 7 26 7 8 28 7 8 28 7 8 28 8 18 27 8 18 27 8 18 27 1 19 25 1 19 25 1 19 25 16 25 27 16 25 27 16 25 27 9 17 27 9 17 27 9 17 27 3 9 17 3 9 17 3 9 17 4 10 26 4 10 26 4 10 26 4 9 28 4 9 28 4 9 28 4 5 18 4 5 18 4 5 18 4 25 28 4 25 28 4 25 28 7 25 28 7 25 28 7 25 28 7 26 27 7 26 27 7 26 27 23 29 23 29 23 29 30 31 30 31 8 9 28 8 9 28 8 9 28 32 33 32 33 34 35 34 35 36 37 36 37 36 38 36 38 34 39 34 39 32 39 32 -1.7998 64.8759 -143.0189 -126.902 -133.1186 146.5933 -146.731 5.3743 21.4912 15.2745 -64.9687 1.707 153.8123 169.9292 163.7126 0.0554 -63.6471 147.4765 -146.7342 149.5633 0.6868 63.8066 0.1042 -148.7723 1.0606 149.3144 -62.0862 63.4993 -148.2469 0.3524 -147.3775 0.8763 149.4757 63.601 0.0703 -146.8035 -0.0667 -63.5974 149.5287 -149.6017 146.8675 -0.0063 -0.9899 -149.2738 62.1585 -63.4893 148.2267 -0.3409 147.4751 -0.8088 -149.3764 1.8022 64.9506 -146.721 -64.8778 -1.7293 146.5991 138.1043 -158.7472 -10.4188 110.2339 173.3823 -38.2893 147.657 -149.1946 -0.8662 -1.7245 -64.93 146.7349 64.8685 1.663 -146.6721 -147.7354 149.0591 0.724 -155.8606 140.934 -7.4011 -167.4501 129.3444 -18.9906 -64.8819 -1.6538 146.6104 1.8221 65.0503 -146.6856 142.0476 -154.7243 -6.4601 132.8542 -163.9176 -15.6535 166.7041 -130.0677 18.1964 1.7623 -146.4663 64.8015 -64.8849 146.8865 -1.8457 159.0732 10.8446 -137.8876 -172.9348 38.8366 -109.8956 134.726 -13.5026 -162.2347 -74.9019 148.8516 71.0736 -141.7292 -5.9681 -63.5351 0.2037 147.2179 0.132 63.8708 -149.1151 150.1236 -146.1376 0.8766 -0.1601 63.5551 -147.6393 -63.8388 -0.1236 148.682 146.1391 -150.1457 -1.3401 -1.0654 -149.2984 62.0393 -63.5115 148.2555 -0.4068 147.1245 -1.1085 -149.7708 0.9831 149.2926 -62.1363 63.5192 -148.1713 0.3998 -147.0294 1.2801 149.8512 149.2923 -148.3374 0.6069 1.0358 63.4061 -147.6496 -62.1754 0.1949 149.1393 0.0578 63.2851 -148.2733 148.3063 -148.4664 -0.0248 -63.2073 0.0199 148.4616 -63.4291 -1.0744 147.2557 148.4176 -149.2277 -0.8976 -0.2453 62.1094 -149.5605 -0.0285 -63.2861 148.3308 63.2088 -0.0488 -148.4319 -148.3394 148.403 0.0199 63.3908 -0.4482 -148.532 0.465 -63.3741 148.5421 -148.1404 148.0206 -0.0632 -0.9923 -149.1245 62.1889 -63.4082 148.4596 -0.227 147.5951 -0.5371 -149.2237 -0.1692 146.8491 -63.743 63.5334 -149.4483 -0.0404 -147.1881 -0.1698 149.2381 -149.2169 -1.0486 62.1413 148.4405 -63.3912 -0.2013 -0.2045 147.9638 -148.8463 63.3455 -148.4489 0.1737 0.9665 149.1721 -62.2053 -147.845 0.3606 148.9832 0.0023 -63.226 148.2983 -148.3152 148.4564 -0.0193 63.1815 -0.0468 -148.5225 63.2538 -0.0415 -148.3289 0.0591 -63.2362 148.4764 -148.4748 148.2299 -0.0575 -0.5051 63.3219 -148.6427 -63.3766 0.4503 148.4858 148.0338 -148.1392 -0.1038 -63.1681 0.0152 148.2963 0.0167 63.1999 -148.519 148.5261 -148.2906 -0.0095 0.5284 -63.2386 148.6733 63.3812 -0.3859 -148.474 -148.0636 148.1693 0.0812 -0.5256 63.2708 -148.5272 -63.3878 0.4087 148.6106 147.9695 -148.234 -0.0321 1.1161 149.3068 -62.0421 63.4502 -148.3592 0.292 -147.6362 0.5545 149.2056 81.9682 -95.9827 -5.6967 176.3524 -178.6456 3.4035 6.042 -174.6391 -171.9551 7.3637 0.4495 -63.314 148.4936 63.3297 -0.4338 -148.6262 -148.0752 148.1613 -0.0311 -179.9113 2.3441 0.7613 -176.9832 179.6449 -1.3086 -1.003 178.0435 0.0327 -178.6129 177.7822 -0.8634 0.4466 179.5688 -178.5862 0.536 -0.6091 -179.3881 178.027 -0.752 0.3713 179.1495 -178.748 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX 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= 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1621.76677 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4.874003 3.458199 4.098189 7.732896 4.070875 6.583262 6.583244 4.066807 6.586328 6.586986 4.101216 6.796667 6.544030 6.796440 6.442657 7.390689 2.165863 0.000000 2.874643 3.304681 2.874711 1.783887 2.874357 2.873488 1.783630 1.784262 1.784223 2.877634 4.882441 4.887093 3.461032 4.875225 4.873327 3.461765 3.462975 3.462262 4.881942 5.908440 5.700064 6.490055 6.653665 6.022158 1.784732 3.462023 0.000000 4.852935 5.470188 4.853087 3.451781 4.853257 4.850758 3.448922 3.449426 3.450899 4.856504 6.599040 6.608058 4.068224 6.590685 6.582447 4.064177 4.065818 4.067857 6.599937 8.069763 7.814815 8.626037 8.727695 8.170930 3.451748 4.067795 2.165508 0.000000 5.178266 4.179576 5.502454 6.087502 4.817946 5.704244 6.816354 6.973077 6.543334 4.587348 5.309476 5.988222 7.205162 4.480426 6.442971 8.561212 8.843719 8.063115 3.882684 2.502510 3.469399 1.462632 2.163912 2.811832 6.269261 7.552290 7.257098 9.358583 0.000000 5.761833 4.423493 5.380854 6.179354 4.696952 5.989281 7.218819 7.032871 6.392104 4.966036 6.314857 5.477302 7.184961 3.818991 6.800667 9.126859 8.790060 7.597037 4.520375 3.020264 4.099934 2.512476 3.441556 2.798906 6.717793 8.212303 7.418830 9.494085 1.398676 0.000000 6.026157 5.284736 6.723702 6.892206 5.846643 6.823921 7.745271 8.095678 7.604405 5.352488 5.841688 7.356734 7.749996 5.419648 7.603249 9.404455 10.053693 9.140797 4.088014 3.731124 4.568258 2.468300 2.627280 4.182789 6.987863 7.943295 8.171917 10.202801 1.398103 2.396490 0.000000 6.978191 5.644585 6.502872 7.044288 5.636862 7.265263 8.414763 8.173606 7.329404 5.975589 7.549082 6.492735 7.716754 4.304014 8.163034 10.379695 9.931274 8.299754 5.234484 4.401462 5.479106 3.776010 4.581256 4.138887 7.757000 9.141851 8.438414 10.433045 2.419783 1.384194 2.762987 0.000000 5.473304 3.943152 4.626523 5.820162 4.176690 5.400761 6.760006 6.352901 5.749523 4.765907 6.291799 4.464656 6.989163 3.339156 6.167165 8.703233 7.974497 6.855235 4.803737 2.736866 3.787126 2.742642 3.799825 2.161304 6.455765 8.162086 6.925424 9.002930 2.150575 1.081657 3.381086 2.135162 0.000000 7.203612 6.347902 7.656696 7.683773 6.631779 7.972420 8.875977 9.109594 8.413583 6.307012 7.162732 8.145487 8.252250 5.778274 8.846685 10.629535 11.070205 9.738459 4.873489 4.921107 5.841920 3.752156 4.010826 5.180488 7.998170 8.907033 9.113547 11.087823 2.426792 2.774101 1.385930 2.397875 3.855127 0.000000 5.951238 5.512096 7.093426 7.107978 6.250105 6.935700 7.722660 8.302960 7.956662 5.460203 5.401415 7.927347 8.002294 6.131241 7.642380 9.205612 10.291242 9.649990 4.059446 3.989689 4.626930 2.651857 2.348688 4.666708 6.946116 7.672628 8.298929 10.293251 2.139976 3.375961 1.083429 3.846179 4.274046 2.144580 0.000000 7.630652 6.509516 7.568165 7.760599 6.547939 8.173675 9.184796 9.152411 8.298044 6.589912 7.930584 7.775002 8.243816 5.293366 9.100848 11.083588 11.022361 9.360120 5.403242 5.198636 6.229526 4.270291 4.818483 5.169551 8.354399 9.473956 9.242664 11.202767 2.808196 2.410068 2.403604 1.390439 3.384825 1.388554 3.385830 0.000000 7.578711 6.110867 6.711173 7.364267 5.891269 7.689334 8.880103 8.433110 7.477024 6.507414 8.360752 6.437182 7.940206 4.265750 8.607011 10.911638 10.072056 8.177569 5.958376 5.060503 6.139450 4.644758 5.533216 4.592718 8.270630 9.763032 8.756830 10.692059 3.394582 2.134707 3.845308 1.082634 2.446885 3.381459 4.928286 2.147743 0.000000 7.949669 7.241732 8.617344 8.435402 7.521551 8.854432 9.652208 10.003417 9.298997 7.049099 7.731799 9.200619 8.858218 6.693966 9.738221 11.335969 12.009001 10.645349 5.391304 5.851892 6.708798 4.609234 4.675364 6.197472 8.676533 9.374104 9.896655 11.816329 3.403076 3.856957 2.141342 3.382728 4.937812 1.082960 2.466934 2.147189 4.281351 0.000000 8.630282 7.491799 8.474613 8.558761 7.387667 9.174313 10.153312 10.071064 9.110049 7.495682 8.969410 8.607068 8.843393 5.933564 10.145674 12.085789 11.928053 10.019389 6.227349 6.263933 7.303123 5.352757 5.880342 6.179150 9.255220 10.318010 10.106639 12.006881 3.890687 3.390713 3.386765 2.150610 4.276347 2.149563 4.282818 1.082530 2.479090 2.479692 0.000000 C8H8B12I11(2-,2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1621.76677 AuxInfo=1/0/N:20,22,36,32,34,30,31,29;2,1,6,10,3,5,7,25,8,4,9,27,11,15,19,12,14,16,26,17,13,18,28/E:(4,5)(6,7);(2,3,4,5,6)(7,8,9,10,11)(13,14,15,16,17)(18,19,20,21,22)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3;1.5,2.6,3.6,4.6,5.6,6.6,7.6,8.6,9.6,10.6,11.6,12.6/rA:39nB6B5B6B6B6B6B6B6B6B6IIIIIIIIIC3HC3HHB6IB6IC3C3C3C3HC3HC3HHH/rB:s1;s2;;s2s3s4;s1s2s3;s1s6;s3s6s7;s3s4s5s8;s1s2s4s5;s1;s3;s4;s5;s6;s7;s8;s9;s10;;s20;s20;s22;s20;s1s4s7s10;s25;s4s7s8s9s25;s27;s22;s29;s29;s30;s30;s31;s31;s32s34;s32;s34;s36;/rC:.1889,1.5398,.5918;1.0662,.0974,.9913;.0099,-1.2698,1.1362;.0197,-.3347,-1.5895;1.0209,-1.0549,-.3046;-.507,.3332,1.6891;-1.5208,1.0651,.4207;-1.6323,-.6887,.7605;-.6806,-1.5535,-.482;1.1345,.6839,-.6402;.787,3.5114,1.3098;.3972,-2.8819,2.5526;.3616,-.7636,-3.6845;2.6745,-2.4038,-.741;-.8227,.7602,3.8054;-3.1412,2.4242,.8881;-3.3949,-1.5677,1.6621;-1.2325,-3.5344,-1.1616;2.9379,1.5518,-1.5004;2.9954,.5798,2.702;2.187,1.1605,3.1265;3.9988,1.1902,2.0572;3.9251,2.2608,1.8951;2.9964,-.4807,2.9252;-.4987,1.2831,-1.0312;-.8192,2.9192,-2.4137;-1.6191,-.102,-.9245;-3.38,-.2326,-2.1782;5.1899,.5502,1.4997;5.3628,-.8375,1.4737;6.201,1.3465,.9536;6.5085,-1.3993,.9373;4.5771,-1.4823,1.8438;7.3508,.7855,.4205;6.0642,2.4211,.9388;7.513,-.5936,.4129;6.6077,-2.477,.9087;8.1154,1.4251,-.0026;8.4029,-1.0379,-.0145; 0.0335626 0.0287347 0.0279468 0.7626 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=111111111111111111111111111111111111111 Differentiating once with respect to nuclear coordinates. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. CalDSu exits because no D1Ps are significant. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. There are 120 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 0. 117 vectors produced by pass 0 Test12= 4.27D-13 1.00D-09 XBig12= 2.11D-01 1.11D-01. AX will form 59 AO Fock derivatives at one time. 114 vectors produced by pass 1 Test12= 4.27D-13 1.00D-09 XBig12= 2.67D-02 4.62D-02. 114 vectors produced by pass 2 Test12= 4.27D-13 1.00D-09 XBig12= 1.58D-03 6.62D-03. 114 vectors produced by pass 3 Test12= 4.27D-13 1.00D-09 XBig12= 5.52D-05 9.97D-04. 114 vectors produced by pass 4 Test12= 4.27D-13 1.00D-09 XBig12= 2.26D-06 1.34D-04. 114 vectors produced by pass 5 Test12= 4.27D-13 1.00D-09 XBig12= 6.21D-08 3.60D-05. 114 vectors produced by pass 6 Test12= 4.27D-13 1.00D-09 XBig12= 1.18D-09 2.48D-06. 109 vectors produced by pass 7 Test12= 4.27D-13 1.00D-09 XBig12= 1.90D-11 2.68D-07. 79 vectors produced by pass 8 Test12= 4.27D-13 1.00D-09 XBig12= 2.95D-13 2.53D-08. 22 vectors produced by pass 9 Test12= 4.27D-13 1.00D-09 XBig12= 1.15D-14 7.44D-09. 19 vectors produced by pass 10 Test12= 4.27D-13 1.00D-09 XBig12= 3.53D-14 4.94D-09. 19 vectors produced by pass 11 Test12= 4.27D-13 1.00D-09 XBig12= 5.62D-12 6.97D-08. 18 vectors produced by pass 12 Test12= 4.27D-13 1.00D-09 XBig12= 1.25D-12 3.06D-08. 12 vectors produced by pass 13 Test12= 4.27D-13 1.00D-09 XBig12= 2.01D-13 1.66D-08. 12 vectors produced by pass 14 Test12= 4.27D-13 1.00D-09 XBig12= 4.39D-13 1.72D-08. 12 vectors produced by pass 15 Test12= 4.27D-13 1.00D-09 XBig12= 6.65D-13 1.83D-08. 12 vectors produced by pass 16 Test12= 4.27D-13 1.00D-09 XBig12= 5.15D-13 1.87D-08. 12 vectors produced by pass 17 Test12= 4.27D-13 1.00D-09 XBig12= 4.32D-13 2.02D-08. 12 vectors produced by pass 18 Test12= 4.27D-13 1.00D-09 XBig12= 7.69D-13 2.10D-08. 11 vectors produced by pass 19 Test12= 4.27D-13 1.00D-09 XBig12= 3.75D-13 1.78D-08. 11 vectors produced by pass 20 Test12= 4.27D-13 1.00D-09 XBig12= 2.45D-13 1.48D-08. 11 vectors produced by pass 21 Test12= 4.27D-13 1.00D-09 XBig12= 5.09D-13 2.15D-08. 11 vectors produced by pass 22 Test12= 4.27D-13 1.00D-09 XBig12= 2.37D-13 1.29D-08. 11 vectors produced by pass 23 Test12= 4.27D-13 1.00D-09 XBig12= 5.50D-13 2.48D-08. 9 vectors produced by pass 24 Test12= 4.27D-13 1.00D-09 XBig12= 1.19D-13 9.11D-09. 9 vectors produced by pass 25 Test12= 4.27D-13 1.00D-09 XBig12= 3.17D-13 1.46D-08. 8 vectors produced by pass 26 Test12= 4.27D-13 1.00D-09 XBig12= 7.91D-14 6.26D-09. 8 vectors produced by pass 27 Test12= 4.27D-13 1.00D-09 XBig12= 4.40D-13 1.77D-08. 8 vectors produced by pass 28 Test12= 4.27D-13 1.00D-09 XBig12= 1.20D-13 9.88D-09. 8 vectors produced by pass 29 Test12= 4.27D-13 1.00D-09 XBig12= 3.97D-13 2.11D-08. 8 vectors produced by pass 30 Test12= 4.27D-13 1.00D-09 XBig12= 1.24D-13 1.10D-08. 8 vectors produced by pass 31 Test12= 4.27D-13 1.00D-09 XBig12= 1.97D-13 1.88D-08. 8 vectors produced by pass 32 Test12= 4.27D-13 1.00D-09 XBig12= 1.25D-13 9.58D-09. 8 vectors produced by pass 33 Test12= 4.27D-13 1.00D-09 XBig12= 2.13D-13 1.64D-08. 8 vectors produced by pass 34 Test12= 4.27D-13 1.00D-09 XBig12= 1.43D-13 1.00D-08. 8 vectors produced by pass 35 Test12= 4.27D-13 1.00D-09 XBig12= 2.37D-13 1.29D-08. 8 vectors produced by pass 36 Test12= 4.27D-13 1.00D-09 XBig12= 1.88D-13 1.22D-08. 8 vectors produced by pass 37 Test12= 4.27D-13 1.00D-09 XBig12= 2.39D-13 1.63D-08. 8 vectors produced by pass 38 Test12= 4.27D-13 1.00D-09 XBig12= 6.81D-14 7.59D-09. 8 vectors produced by pass 39 Test12= 4.27D-13 1.00D-09 XBig12= 1.35D-13 8.72D-09. 8 vectors produced by pass 40 Test12= 4.27D-13 1.00D-09 XBig12= 2.14D-13 1.31D-08. 8 vectors produced by pass 41 Test12= 4.27D-13 1.00D-09 XBig12= 2.29D-13 1.10D-08. 8 vectors produced by pass 42 Test12= 4.27D-13 1.00D-09 XBig12= 2.03D-13 9.46D-09. 8 vectors produced by pass 43 Test12= 4.27D-13 1.00D-09 XBig12= 1.91D-13 1.44D-08. 8 vectors produced by pass 44 Test12= 4.27D-13 1.00D-09 XBig12= 1.27D-13 9.19D-09. 8 vectors produced by pass 45 Test12= 4.27D-13 1.00D-09 XBig12= 9.46D-14 8.75D-09. 8 vectors produced by pass 46 Test12= 4.27D-13 1.00D-09 XBig12= 9.20D-14 7.53D-09. 8 vectors produced by pass 47 Test12= 4.27D-13 1.00D-09 XBig12= 1.82D-13 1.10D-08. 8 vectors produced by pass 48 Test12= 4.27D-13 1.00D-09 XBig12= 1.38D-13 1.17D-08. 8 vectors produced by pass 49 Test12= 4.27D-13 1.00D-09 XBig12= 3.23D-13 1.34D-08. 8 vectors produced by pass 50 Test12= 4.27D-13 1.00D-09 XBig12= 8.53D-14 6.33D-09. 8 vectors produced by pass 51 Test12= 4.27D-13 1.00D-09 XBig12= 2.52D-13 1.32D-08. 8 vectors produced by pass 52 Test12= 4.27D-13 1.00D-09 XBig12= 1.37D-13 1.05D-08. 8 vectors produced by pass 53 Test12= 4.27D-13 1.00D-09 XBig12= 1.30D-13 8.71D-09. 8 vectors produced by pass 54 Test12= 4.27D-13 1.00D-09 XBig12= 8.47D-14 6.41D-09. 8 vectors produced by pass 55 Test12= 4.27D-13 1.00D-09 XBig12= 1.81D-13 1.06D-08. 8 vectors produced by pass 56 Test12= 4.27D-13 1.00D-09 XBig12= 7.49D-14 6.36D-09. 8 vectors produced by pass 57 Test12= 4.27D-13 1.00D-09 XBig12= 2.14D-13 1.26D-08. 6 vectors produced by pass 58 Test12= 4.27D-13 1.00D-09 XBig12= 4.87D-14 6.83D-09. 6 vectors produced by pass 59 Test12= 4.27D-13 1.00D-09 XBig12= 1.67D-13 1.04D-08. 6 vectors produced by pass 60 Test12= 4.27D-13 1.00D-09 XBig12= 6.13D-14 6.53D-09. 6 vectors produced by pass 61 Test12= 4.27D-13 1.00D-09 XBig12= 3.47D-13 1.73D-08. 4 vectors produced by pass 62 Test12= 4.27D-13 1.00D-09 XBig12= 5.13D-14 6.37D-09. 4 vectors produced by pass 63 Test12= 4.27D-13 1.00D-09 XBig12= 2.27D-13 1.19D-08. 4 vectors produced by pass 64 Test12= 4.27D-13 1.00D-09 XBig12= 7.34D-14 6.03D-09. 4 vectors produced by pass 65 Test12= 4.27D-13 1.00D-09 XBig12= 3.01D-13 1.33D-08. 4 vectors produced by pass 66 Test12= 4.27D-13 1.00D-09 XBig12= 7.37D-14 6.29D-09. 4 vectors produced by pass 67 Test12= 4.27D-13 1.00D-09 XBig12= 3.52D-13 1.70D-08. 4 vectors produced by pass 68 Test12= 4.27D-13 1.00D-09 XBig12= 6.13D-14 5.29D-09. 4 vectors produced by pass 69 Test12= 4.27D-13 1.00D-09 XBig12= 2.58D-13 1.11D-08. 4 vectors produced by pass 70 Test12= 4.27D-13 1.00D-09 XBig12= 7.96D-14 7.62D-09. 4 vectors produced by pass 71 Test12= 4.27D-13 1.00D-09 XBig12= 2.32D-13 1.05D-08. 4 vectors produced by pass 72 Test12= 4.27D-13 1.00D-09 XBig12= 1.51D-13 8.86D-09. 4 vectors produced by pass 73 Test12= 4.27D-13 1.00D-09 XBig12= 2.14D-13 1.15D-08. 4 vectors produced by pass 74 Test12= 4.27D-13 1.00D-09 XBig12= 9.16D-14 7.85D-09. 4 vectors produced by pass 75 Test12= 4.27D-13 1.00D-09 XBig12= 1.24D-13 8.56D-09. 4 vectors produced by pass 76 Test12= 4.27D-13 1.00D-09 XBig12= 2.15D-13 1.04D-08. 4 vectors produced by pass 77 Test12= 4.27D-13 1.00D-09 XBig12= 1.80D-13 1.06D-08. 4 vectors produced by pass 78 Test12= 4.27D-13 1.00D-09 XBig12= 2.41D-13 1.13D-08. 4 vectors produced by pass 79 Test12= 4.27D-13 1.00D-09 XBig12= 2.81D-13 1.11D-08. 4 vectors produced by pass 80 Test12= 4.27D-13 1.00D-09 XBig12= 8.34D-14 6.43D-09. 4 vectors produced by pass 81 Test12= 4.27D-13 1.00D-09 XBig12= 3.41D-13 1.58D-08. 4 vectors produced by pass 82 Test12= 4.27D-13 1.00D-09 XBig12= 1.29D-13 7.37D-09. 4 vectors produced by pass 83 Test12= 4.27D-13 1.00D-09 XBig12= 1.23D-13 8.76D-09. 4 vectors produced by pass 84 Test12= 4.27D-13 1.00D-09 XBig12= 1.52D-13 1.03D-08. 4 vectors produced by pass 85 Test12= 4.27D-13 1.00D-09 XBig12= 2.20D-13 1.10D-08. 4 vectors produced by pass 86 Test12= 4.27D-13 1.00D-09 XBig12= 8.77D-14 6.97D-09. 4 vectors produced by pass 87 Test12= 4.27D-13 1.00D-09 XBig12= 1.66D-13 9.54D-09. 4 vectors produced by pass 88 Test12= 4.27D-13 1.00D-09 XBig12= 5.53D-14 4.90D-09. 4 vectors produced by pass 89 Test12= 4.27D-13 1.00D-09 XBig12= 2.16D-13 1.05D-08. 4 vectors produced by pass 90 Test12= 4.27D-13 1.00D-09 XBig12= 1.61D-13 1.10D-08. 4 vectors produced by pass 91 Test12= 4.27D-13 1.00D-09 XBig12= 2.21D-13 1.02D-08. 4 vectors produced by pass 92 Test12= 4.27D-13 1.00D-09 XBig12= 1.47D-13 8.97D-09. 4 vectors produced by pass 93 Test12= 4.27D-13 1.00D-09 XBig12= 3.04D-13 1.43D-08. 4 vectors produced by pass 94 Test12= 4.27D-13 1.00D-09 XBig12= 1.24D-13 9.03D-09. 4 vectors produced by pass 95 Test12= 4.27D-13 1.00D-09 XBig12= 1.76D-13 1.00D-08. 4 vectors produced by pass 96 Test12= 4.27D-13 1.00D-09 XBig12= 1.12D-13 8.69D-09. 4 vectors produced by pass 97 Test12= 4.27D-13 1.00D-09 XBig12= 1.98D-13 9.25D-09. 4 vectors produced by pass 98 Test12= 4.27D-13 1.00D-09 XBig12= 1.72D-13 9.83D-09. 4 vectors produced by pass 99 Test12= 4.27D-13 1.00D-09 XBig12= 9.99D-14 7.40D-09. 4 vectors produced by pass100 Test12= 4.27D-13 1.00D-09 XBig12= 2.12D-13 1.49D-08. 4 vectors produced by pass101 Test12= 4.27D-13 1.00D-09 XBig12= 9.49D-14 6.38D-09. 4 vectors produced by pass102 Test12= 4.27D-13 1.00D-09 XBig12= 1.30D-13 8.79D-09. 4 vectors produced by pass103 Test12= 4.27D-13 1.00D-09 XBig12= 1.37D-13 8.62D-09. 4 vectors produced by pass104 Test12= 4.27D-13 1.00D-09 XBig12= 1.26D-13 9.84D-09. 4 vectors produced by pass105 Test12= 4.27D-13 1.00D-09 XBig12= 1.29D-13 9.24D-09. 4 vectors produced by pass106 Test12= 4.27D-13 1.00D-09 XBig12= 8.35D-14 6.26D-09. 4 vectors produced by pass107 Test12= 4.27D-13 1.00D-09 XBig12= 1.60D-13 9.80D-09. 4 vectors produced by pass108 Test12= 4.27D-13 1.00D-09 XBig12= 1.39D-13 8.99D-09. 4 vectors produced by pass109 Test12= 4.27D-13 1.00D-09 XBig12= 8.60D-14 8.65D-09. 4 vectors produced by pass110 Test12= 4.27D-13 1.00D-09 XBig12= 1.37D-13 8.45D-09. 4 vectors produced by pass111 Test12= 4.27D-13 1.00D-09 XBig12= 2.85D-13 1.13D-08. 4 vectors produced by pass112 Test12= 4.27D-13 1.00D-09 XBig12= 1.01D-13 6.81D-09. 4 vectors produced by pass113 Test12= 4.27D-13 1.00D-09 XBig12= 2.07D-13 2.08D-08. 4 vectors produced by pass114 Test12= 4.27D-13 1.00D-09 XBig12= 9.36D-14 8.55D-09. 4 vectors produced by pass115 Test12= 4.27D-13 1.00D-09 XBig12= 1.08D-13 7.62D-09. 4 vectors produced by pass116 Test12= 4.27D-13 1.00D-09 XBig12= 2.32D-13 1.18D-08. 4 vectors produced by pass117 Test12= 4.27D-13 1.00D-09 XBig12= 1.31D-13 9.10D-09. 4 vectors produced by pass118 Test12= 4.27D-13 1.00D-09 XBig12= 1.98D-13 9.74D-09. 4 vectors produced by pass119 Test12= 4.27D-13 1.00D-09 XBig12= 1.49D-13 8.00D-09. 4 vectors produced by pass120 Test12= 4.27D-13 1.00D-09 XBig12= 1.69D-13 9.67D-09. 4 vectors produced by pass121 Test12= 4.27D-13 1.00D-09 XBig12= 1.21D-13 7.87D-09. 4 vectors produced by pass122 Test12= 4.27D-13 1.00D-09 XBig12= 1.76D-13 1.02D-08. 4 vectors produced by pass123 Test12= 4.27D-13 1.00D-09 XBig12= 1.01D-13 6.89D-09. 4 vectors produced by pass124 Test12= 4.27D-13 1.00D-09 XBig12= 2.13D-13 1.20D-08. 4 vectors produced by pass125 Test12= 4.27D-13 1.00D-09 XBig12= 1.22D-13 7.87D-09. 4 vectors produced by pass126 Test12= 4.27D-13 1.00D-09 XBig12= 1.43D-13 9.75D-09. 4 vectors produced by pass127 Test12= 4.27D-13 1.00D-09 XBig12= 6.93D-14 5.62D-09. 4 vectors produced by pass128 Test12= 4.27D-13 1.00D-09 XBig12= 1.14D-13 8.75D-09. 4 vectors produced by pass129 Test12= 4.27D-13 1.00D-09 XBig12= 8.87D-14 6.84D-09. 4 vectors produced by pass130 Test12= 4.27D-13 1.00D-09 XBig12= 1.51D-13 1.01D-08. 4 vectors produced by pass131 Test12= 4.27D-13 1.00D-09 XBig12= 7.27D-14 5.90D-09. 4 vectors produced by pass132 Test12= 4.27D-13 1.00D-09 XBig12= 2.10D-13 1.09D-08. 4 vectors produced by pass133 Test12= 4.27D-13 1.00D-09 XBig12= 1.14D-13 8.95D-09. 4 vectors produced by pass134 Test12= 4.27D-13 1.00D-09 XBig12= 1.37D-13 7.73D-09. 4 vectors produced by pass135 Test12= 4.27D-13 1.00D-09 XBig12= 1.99D-13 1.10D-08. 4 vectors produced by pass136 Test12= 4.27D-13 1.00D-09 XBig12= 5.20D-14 5.38D-09. 4 vectors produced by pass137 Test12= 4.27D-13 1.00D-09 XBig12= 1.79D-13 9.51D-09. 4 vectors produced by pass138 Test12= 4.27D-13 1.00D-09 XBig12= 1.46D-13 7.81D-09. 4 vectors produced by pass139 Test12= 4.27D-13 1.00D-09 XBig12= 1.38D-13 1.02D-08. 4 vectors produced by pass140 Test12= 4.27D-13 1.00D-09 XBig12= 1.56D-13 9.95D-09. 4 vectors produced by pass141 Test12= 4.27D-13 1.00D-09 XBig12= 2.04D-13 1.28D-08. 4 vectors produced by pass142 Test12= 4.27D-13 1.00D-09 XBig12= 2.57D-13 1.37D-08. 4 vectors produced by pass143 Test12= 4.27D-13 1.00D-09 XBig12= 5.33D-14 4.40D-09. 4 vectors produced by pass144 Test12= 4.27D-13 1.00D-09 XBig12= 2.97D-13 1.50D-08. 4 vectors produced by pass145 Test12= 4.27D-13 1.00D-09 XBig12= 8.24D-14 5.91D-09. 4 vectors produced by pass146 Test12= 4.27D-13 1.00D-09 XBig12= 2.27D-13 1.20D-08. 4 vectors produced by pass147 Test12= 4.27D-13 1.00D-09 XBig12= 1.07D-13 8.13D-09. 4 vectors produced by pass148 Test12= 4.27D-13 1.00D-09 XBig12= 1.10D-13 7.37D-09. 4 vectors produced by pass149 Test12= 4.27D-13 1.00D-09 XBig12= 1.17D-13 8.00D-09. 4 vectors produced by pass150 Test12= 4.27D-13 1.00D-09 XBig12= 1.41D-13 8.98D-09. 4 vectors produced by pass151 Test12= 4.27D-13 1.00D-09 XBig12= 1.15D-13 8.38D-09. 4 vectors produced by pass152 Test12= 4.27D-13 1.00D-09 XBig12= 1.47D-13 9.48D-09. 4 vectors produced by pass153 Test12= 4.27D-13 1.00D-09 XBig12= 2.12D-13 8.23D-09. 4 vectors produced by pass154 Test12= 4.27D-13 1.00D-09 XBig12= 1.18D-13 6.92D-09. 4 vectors produced by pass155 Test12= 4.27D-13 1.00D-09 XBig12= 1.70D-13 9.83D-09. 4 vectors produced by pass156 Test12= 4.27D-13 1.00D-09 XBig12= 2.57D-13 1.07D-08. 4 vectors produced by pass157 Test12= 4.27D-13 1.00D-09 XBig12= 8.38D-14 6.75D-09. 4 vectors produced by pass158 Test12= 4.27D-13 1.00D-09 XBig12= 1.20D-13 7.17D-09. 4 vectors produced by pass159 Test12= 4.27D-13 1.00D-09 XBig12= 1.04D-13 8.38D-09. 4 vectors produced by pass160 Test12= 4.27D-13 1.00D-09 XBig12= 1.17D-13 9.95D-09. 4 vectors produced by pass161 Test12= 4.27D-13 1.00D-09 XBig12= 1.82D-13 9.33D-09. 4 vectors produced by pass162 Test12= 4.27D-13 1.00D-09 XBig12= 9.78D-14 6.86D-09. 4 vectors produced by pass163 Test12= 4.27D-13 1.00D-09 XBig12= 9.69D-14 7.23D-09. 4 vectors produced by pass164 Test12= 4.27D-13 1.00D-09 XBig12= 1.70D-13 8.24D-09. 4 vectors produced by pass165 Test12= 4.27D-13 1.00D-09 XBig12= 1.35D-13 7.70D-09. 4 vectors produced by pass166 Test12= 4.27D-13 1.00D-09 XBig12= 1.84D-13 1.08D-08. 4 vectors produced by pass167 Test12= 4.27D-13 1.00D-09 XBig12= 1.04D-13 6.68D-09. 4 vectors produced by pass168 Test12= 4.27D-13 1.00D-09 XBig12= 1.76D-13 9.18D-09. 4 vectors produced by pass169 Test12= 4.27D-13 1.00D-09 XBig12= 1.05D-13 7.23D-09. 4 vectors produced by pass170 Test12= 4.27D-13 1.00D-09 XBig12= 1.41D-13 9.63D-09. 4 vectors produced by pass171 Test12= 4.27D-13 1.00D-09 XBig12= 9.71D-14 7.11D-09. 4 vectors produced by pass172 Test12= 4.27D-13 1.00D-09 XBig12= 1.23D-13 8.38D-09. 4 vectors produced by pass173 Test12= 4.27D-13 1.00D-09 XBig12= 1.35D-13 7.29D-09. 4 vectors produced by pass174 Test12= 4.27D-13 1.00D-09 XBig12= 9.76D-14 6.02D-09. 4 vectors produced by pass175 Test12= 4.27D-13 1.00D-09 XBig12= 1.76D-13 9.72D-09. 4 vectors produced by pass176 Test12= 4.27D-13 1.00D-09 XBig12= 9.18D-14 6.80D-09. 4 vectors produced by pass177 Test12= 4.27D-13 1.00D-09 XBig12= 1.91D-13 1.04D-08. 4 vectors produced by pass178 Test12= 4.27D-13 1.00D-09 XBig12= 4.69D-14 4.39D-09. 4 vectors produced by pass179 Test12= 4.27D-13 1.00D-09 XBig12= 1.45D-13 9.60D-09. 4 vectors produced by pass180 Test12= 4.27D-13 1.00D-09 XBig12= 9.96D-14 7.63D-09. 4 vectors produced by pass181 Test12= 4.27D-13 1.00D-09 XBig12= 1.97D-13 9.22D-09. 4 vectors produced by pass182 Test12= 4.27D-13 1.00D-09 XBig12= 1.59D-13 7.75D-09. 4 vectors produced by pass183 Test12= 4.27D-13 1.00D-09 XBig12= 1.62D-13 9.28D-09. 4 vectors produced by pass184 Test12= 4.27D-13 1.00D-09 XBig12= 1.15D-13 6.35D-09. 4 vectors produced by pass185 Test12= 4.27D-13 1.00D-09 XBig12= 1.30D-13 7.76D-09. 4 vectors produced by pass186 Test12= 4.27D-13 1.00D-09 XBig12= 1.73D-13 9.18D-09. 4 vectors produced by pass187 Test12= 4.27D-13 1.00D-09 XBig12= 1.39D-13 8.33D-09. 4 vectors produced by pass188 Test12= 4.27D-13 1.00D-09 XBig12= 1.47D-13 8.07D-09. 4 vectors produced by pass189 Test12= 4.27D-13 1.00D-09 XBig12= 2.27D-13 1.13D-08. 4 vectors produced by pass190 Test12= 4.27D-13 1.00D-09 XBig12= 8.25D-14 6.90D-09. 4 vectors produced by pass191 Test12= 4.27D-13 1.00D-09 XBig12= 1.13D-13 7.14D-09. 4 vectors produced by pass192 Test12= 4.27D-13 1.00D-09 XBig12= 1.88D-13 8.95D-09. 4 vectors produced by pass193 Test12= 4.27D-13 1.00D-09 XBig12= 1.19D-13 7.62D-09. 4 vectors produced by pass194 Test12= 4.27D-13 1.00D-09 XBig12= 1.45D-13 8.23D-09. 4 vectors produced by pass195 Test12= 4.27D-13 1.00D-09 XBig12= 1.31D-13 6.51D-09. 4 vectors produced by pass196 Test12= 4.27D-13 1.00D-09 XBig12= 1.62D-13 9.45D-09. 4 vectors produced by pass197 Test12= 4.27D-13 1.00D-09 XBig12= 1.22D-13 9.65D-09. 4 vectors produced by pass198 Test12= 4.27D-13 1.00D-09 XBig12= 1.82D-13 9.59D-09. 4 vectors produced by pass199 Test12= 4.27D-13 1.00D-09 XBig12= 1.08D-13 6.88D-09. 4 vectors produced by pass200 Test12= 4.27D-13 1.00D-09 XBig12= 1.19D-13 8.19D-09. 4 vectors produced by pass201 Test12= 4.27D-13 1.00D-09 XBig12= 1.12D-13 6.68D-09. 4 vectors produced by pass202 Test12= 4.27D-13 1.00D-09 XBig12= 1.42D-13 8.46D-09. 4 vectors produced by pass203 Test12= 4.27D-13 1.00D-09 XBig12= 8.22D-14 7.46D-09. 4 vectors produced by pass204 Test12= 4.27D-13 1.00D-09 XBig12= 1.22D-13 7.92D-09. 4 vectors produced by pass205 Test12= 4.27D-13 1.00D-09 XBig12= 1.46D-13 8.99D-09. 4 vectors produced by pass206 Test12= 4.27D-13 1.00D-09 XBig12= 1.18D-13 7.14D-09. 4 vectors produced by pass207 Test12= 4.27D-13 1.00D-09 XBig12= 1.31D-13 7.32D-09. 4 vectors produced by pass208 Test12= 4.27D-13 1.00D-09 XBig12= 8.22D-14 5.46D-09. 4 vectors produced by pass209 Test12= 4.27D-13 1.00D-09 XBig12= 1.48D-13 7.77D-09. 4 vectors produced by pass210 Test12= 4.27D-13 1.00D-09 XBig12= 9.56D-14 6.80D-09. 4 vectors produced by pass211 Test12= 4.27D-13 1.00D-09 XBig12= 1.17D-13 6.97D-09. 4 vectors produced by pass212 Test12= 4.27D-13 1.00D-09 XBig12= 1.59D-13 8.97D-09. 4 vectors produced by pass213 Test12= 4.27D-13 1.00D-09 XBig12= 1.20D-13 7.53D-09. 4 vectors produced by pass214 Test12= 4.27D-13 1.00D-09 XBig12= 1.43D-13 8.06D-09. 4 vectors produced by pass215 Test12= 4.27D-13 1.00D-09 XBig12= 9.19D-14 5.62D-09. 4 vectors produced by pass216 Test12= 4.27D-13 1.00D-09 XBig12= 2.09D-13 1.14D-08. 4 vectors produced by pass217 Test12= 4.27D-13 1.00D-09 XBig12= 1.09D-13 6.12D-09. 4 vectors produced by pass218 Test12= 4.27D-13 1.00D-09 XBig12= 1.79D-13 8.93D-09. 4 vectors produced by pass219 Test12= 4.27D-13 1.00D-09 XBig12= 8.28D-14 5.88D-09. 4 vectors produced by pass220 Test12= 4.27D-13 1.00D-09 XBig12= 1.77D-13 9.48D-09. 4 vectors produced by pass221 Test12= 4.27D-13 1.00D-09 XBig12= 1.77D-13 8.64D-09. 4 vectors produced by pass222 Test12= 4.27D-13 1.00D-09 XBig12= 1.48D-13 8.43D-09. 4 vectors produced by pass223 Test12= 4.27D-13 1.00D-09 XBig12= 1.63D-13 7.48D-09. 4 vectors produced by pass224 Test12= 4.27D-13 1.00D-09 XBig12= 1.56D-13 9.02D-09. 4 vectors produced by pass225 Test12= 4.27D-13 1.00D-09 XBig12= 1.55D-13 8.92D-09. 4 vectors produced by pass226 Test12= 4.27D-13 1.00D-09 XBig12= 1.29D-13 7.36D-09. 4 vectors produced by pass227 Test12= 4.27D-13 1.00D-09 XBig12= 1.27D-13 6.82D-09. 4 vectors produced by pass228 Test12= 4.27D-13 1.00D-09 XBig12= 2.06D-13 9.42D-09. 4 vectors produced by pass229 Test12= 4.27D-13 1.00D-09 XBig12= 1.19D-13 6.89D-09. 4 vectors produced by pass230 Test12= 4.27D-13 1.00D-09 XBig12= 2.00D-13 9.57D-09. 4 vectors produced by pass231 Test12= 4.27D-13 1.00D-09 XBig12= 1.36D-13 6.46D-09. 4 vectors produced by pass232 Test12= 4.27D-13 1.00D-09 XBig12= 1.48D-13 7.42D-09. 4 vectors produced by pass233 Test12= 4.27D-13 1.00D-09 XBig12= 1.88D-13 1.01D-08. 4 vectors produced by pass234 Test12= 4.27D-13 1.00D-09 XBig12= 9.49D-14 6.86D-09. 4 vectors produced by pass235 Test12= 4.27D-13 1.00D-09 XBig12= 9.48D-14 6.35D-09. 4 vectors produced by pass236 Test12= 4.27D-13 1.00D-09 XBig12= 1.25D-13 6.73D-09. 4 vectors produced by pass237 Test12= 4.27D-13 1.00D-09 XBig12= 9.58D-14 6.39D-09. 4 vectors produced by pass238 Test12= 4.27D-13 1.00D-09 XBig12= 8.71D-14 5.80D-09. 4 vectors produced by pass239 Test12= 4.27D-13 1.00D-09 XBig12= 1.90D-13 1.05D-08. 4 vectors produced by pass240 Test12= 4.27D-13 1.00D-09 XBig12= 8.28D-14 8.00D-09. 4 vectors produced by pass241 Test12= 4.27D-13 1.00D-09 XBig12= 1.02D-13 9.29D-09. 4 vectors produced by pass242 Test12= 4.27D-13 1.00D-09 XBig12= 1.64D-13 1.02D-08. 4 vectors produced by pass243 Test12= 4.27D-13 1.00D-09 XBig12= 7.85D-14 5.85D-09. 4 vectors produced by pass244 Test12= 4.27D-13 1.00D-09 XBig12= 1.35D-13 7.33D-09. 4 vectors produced by pass245 Test12= 4.27D-13 1.00D-09 XBig12= 1.16D-13 6.17D-09. 4 vectors produced by pass246 Test12= 4.27D-13 1.00D-09 XBig12= 1.72D-13 9.93D-09. 4 vectors produced by pass247 Test12= 4.27D-13 1.00D-09 XBig12= 8.09D-14 6.35D-09. 4 vectors produced by pass248 Test12= 4.27D-13 1.00D-09 XBig12= 1.73D-13 8.82D-09. 4 vectors produced by pass249 Test12= 4.27D-13 1.00D-09 XBig12= 9.46D-14 6.32D-09. 4 vectors produced by pass250 Test12= 4.27D-13 1.00D-09 XBig12= 1.87D-13 7.58D-09. 4 vectors produced by pass251 Test12= 4.27D-13 1.00D-09 XBig12= 9.44D-14 6.39D-09. 4 vectors produced by pass252 Test12= 4.27D-13 1.00D-09 XBig12= 8.59D-14 5.54D-09. 4 vectors produced by pass253 Test12= 4.27D-13 1.00D-09 XBig12= 1.86D-13 1.09D-08. 4 vectors produced by pass254 Test12= 4.27D-13 1.00D-09 XBig12= 1.37D-13 7.22D-09. 4 vectors produced by pass255 Test12= 4.27D-13 1.00D-09 XBig12= 1.57D-13 7.22D-09. 4 vectors produced by pass256 Test12= 4.27D-13 1.00D-09 XBig12= 1.31D-13 8.10D-09. 4 vectors produced by pass257 Test12= 4.27D-13 1.00D-09 XBig12= 8.44D-14 6.27D-09. 4 vectors produced by pass258 Test12= 4.27D-13 1.00D-09 XBig12= 1.28D-13 7.60D-09. 4 vectors produced by pass259 Test12= 4.27D-13 1.00D-09 XBig12= 1.09D-13 8.88D-09. 4 vectors produced by pass260 Test12= 4.27D-13 1.00D-09 XBig12= 1.21D-13 7.36D-09. 4 vectors produced by pass261 Test12= 4.27D-13 1.00D-09 XBig12= 1.05D-13 8.35D-09. 4 vectors produced by pass262 Test12= 4.27D-13 1.00D-09 XBig12= 1.19D-13 6.94D-09. 4 vectors produced by pass263 Test12= 4.27D-13 1.00D-09 XBig12= 1.44D-13 6.99D-09. 4 vectors produced by pass264 Test12= 4.27D-13 1.00D-09 XBig12= 1.17D-13 6.19D-09. 4 vectors produced by pass265 Test12= 4.27D-13 1.00D-09 XBig12= 1.12D-13 7.21D-09. 4 vectors produced by pass266 Test12= 4.27D-13 1.00D-09 XBig12= 1.56D-13 8.03D-09. 4 vectors produced by pass267 Test12= 4.27D-13 1.00D-09 XBig12= 1.21D-13 7.39D-09. 4 vectors produced by pass268 Test12= 4.27D-13 1.00D-09 XBig12= 1.37D-13 7.28D-09. 4 vectors produced by pass269 Test12= 4.27D-13 1.00D-09 XBig12= 1.64D-13 8.63D-09. 3 vectors produced by pass270 Test12= 4.27D-13 1.00D-09 XBig12= 7.25D-14 4.53D-09. 3 vectors produced by pass271 Test12= 4.27D-13 1.00D-09 XBig12= 2.22D-13 1.15D-08. 3 vectors produced by pass272 Test12= 4.27D-13 1.00D-09 XBig12= 8.45D-14 5.82D-09. 3 vectors produced by pass273 Test12= 4.27D-13 1.00D-09 XBig12= 1.19D-13 6.75D-09. 3 vectors produced by pass274 Test12= 4.27D-13 1.00D-09 XBig12= 1.54D-13 7.97D-09. 3 vectors produced by pass275 Test12= 4.27D-13 1.00D-09 XBig12= 2.53D-13 1.15D-08. 3 vectors produced by pass276 Test12= 4.27D-13 1.00D-09 XBig12= 7.20D-14 5.07D-09. 3 vectors produced by pass277 Test12= 4.27D-13 1.00D-09 XBig12= 1.07D-13 7.12D-09. 3 vectors produced by pass278 Test12= 4.27D-13 1.00D-09 XBig12= 2.51D-13 1.08D-08. 3 vectors produced by pass279 Test12= 4.27D-13 1.00D-09 XBig12= 8.55D-14 5.44D-09. 3 vectors produced by pass280 Test12= 4.27D-13 1.00D-09 XBig12= 9.12D-14 6.15D-09. 3 vectors produced by pass281 Test12= 4.27D-13 1.00D-09 XBig12= 1.56D-13 9.28D-09. 3 vectors produced by pass282 Test12= 4.27D-13 1.00D-09 XBig12= 1.08D-13 7.42D-09. 3 vectors produced by pass283 Test12= 4.27D-13 1.00D-09 XBig12= 1.15D-13 6.21D-09. 3 vectors produced by pass284 Test12= 4.27D-13 1.00D-09 XBig12= 1.80D-13 9.48D-09. 3 vectors produced by pass285 Test12= 4.27D-13 1.00D-09 XBig12= 9.57D-14 7.69D-09. 3 vectors produced by pass286 Test12= 4.27D-13 1.00D-09 XBig12= 1.17D-13 7.92D-09. 3 vectors produced by pass287 Test12= 4.27D-13 1.00D-09 XBig12= 5.90D-14 4.34D-09. 3 vectors produced by pass288 Test12= 4.27D-13 1.00D-09 XBig12= 7.73D-14 5.85D-09. 3 vectors produced by pass289 Test12= 4.27D-13 1.00D-09 XBig12= 1.63D-13 1.19D-08. 3 vectors produced by pass290 Test12= 4.27D-13 1.00D-09 XBig12= 5.16D-14 4.72D-09. 3 vectors produced by pass291 Test12= 4.27D-13 1.00D-09 XBig12= 7.04D-14 5.22D-09. 3 vectors produced by pass292 Test12= 4.27D-13 1.00D-09 XBig12= 1.65D-13 8.19D-09. 3 vectors produced by pass293 Test12= 4.27D-13 1.00D-09 XBig12= 9.30D-14 5.76D-09. 3 vectors produced by pass294 Test12= 4.27D-13 1.00D-09 XBig12= 1.31D-13 7.14D-09. 3 vectors produced by pass295 Test12= 4.27D-13 1.00D-09 XBig12= 2.06D-13 1.01D-08. 3 vectors produced by pass296 Test12= 4.27D-13 1.00D-09 XBig12= 7.54D-14 5.24D-09. 3 vectors produced by pass297 Test12= 4.27D-13 1.00D-09 XBig12= 9.22D-14 6.18D-09. 3 vectors produced by pass298 Test12= 4.27D-13 1.00D-09 XBig12= 8.83D-14 7.07D-09. 3 vectors produced by pass299 Test12= 4.27D-13 1.00D-09 XBig12= 1.08D-13 5.74D-09. 3 vectors produced by pass300 Test12= 4.27D-13 1.00D-09 XBig12= 8.52D-14 6.04D-09. 3 vectors produced by pass301 Test12= 4.27D-13 1.00D-09 XBig12= 1.52D-13 8.77D-09. 3 vectors produced by pass302 Test12= 4.27D-13 1.00D-09 XBig12= 1.54D-13 7.85D-09. 3 vectors produced by pass303 Test12= 4.27D-13 1.00D-09 XBig12= 9.22D-14 6.26D-09. 3 vectors produced by pass304 Test12= 4.27D-13 1.00D-09 XBig12= 1.17D-13 5.98D-09. 3 vectors produced by pass305 Test12= 4.27D-13 1.00D-09 XBig12= 1.20D-13 7.35D-09. 3 vectors produced by pass306 Test12= 4.27D-13 1.00D-09 XBig12= 6.07D-14 5.42D-09. 3 vectors produced by pass307 Test12= 4.27D-13 1.00D-09 XBig12= 8.11D-14 6.59D-09. 3 vectors produced by pass308 Test12= 4.27D-13 1.00D-09 XBig12= 1.39D-13 8.28D-09. 2 vectors produced by pass309 Test12= 4.27D-13 1.00D-09 XBig12= 7.11D-14 5.18D-09. InvSVY: IOpt=1 It= 1 EMax= 6.66D-16 Solved reduced A of dimension 2443 with 120 vectors. End of Minotr F.D. properties file 721 does not exist. 0.000 0.000 0.000 0.000 0.000 0.000 921.465 0.768 897.274 -45.255 0.961 847.559 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 B B B B B B B B B B I I I I I I I I I C H C H H B I B I C C C C H C H C H H H 11 11 11 11 11 11 11 11 11 11 127 127 127 127 127 127 127 127 127 13 1 13 1 1 11 127 11 127 13 13 13 13 1 13 1 13 1 1 1 -0.00944 0.35289 -0.00916 0.01327 -0.00940 -0.00950 0.01334 0.01369 0.01319 -0.00939 0.00003 0.00005 0.00001 0.00005 0.00004 0.00001 0.00001 0.00001 0.00003 0.00895 0.00341 0.01908 -0.00228 0.00319 0.01296 0.00001 0.00000 0.00001 -0.00790 0.00356 0.00389 -0.00289 -0.00051 -0.00284 -0.00040 0.00358 0.00014 0.00014 -0.00047 -13.54043 506.17605 -13.13990 19.03437 -13.47791 -13.62213 19.12749 19.64068 18.92271 -13.46499 0.02926 0.04152 0.00871 0.04667 0.03333 0.00833 0.00934 0.01023 0.02950 10.06003 15.26027 21.44461 -10.18911 14.25784 18.58308 0.00856 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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 -0.012347 0.029460 0.018892 0.001238 0.001203 -0.009999 -0.001955 0.001506 0.003513 0.001192 0.002390 0.003812 0.000353 -0.007858 -0.003289 -0.003002 0.001400 0.002969 0.004675 -0.005136 0.007051 0.018011 0.002126 -0.001545 -0.001455 -0.001134 0.000586 0.000069 -0.001125 -0.003161 0.000032 -0.000456 -0.001499 -0.000379 0.001010 -0.001214 -0.000768 -0.000285 -0.001780 0.006635 0.239943 -0.004399 0.005502 0.002232 -0.011987 0.004496 0.003547 0.004745 -0.003119 0.000197 -0.003528 0.000934 -0.003848 -0.007402 0.000669 -0.001083 0.001314 -0.008896 -0.051052 0.006229 0.098237 0.005032 0.007323 0.005608 0.001768 0.004418 0.000572 -0.010547 0.014972 0.012966 -0.006245 0.001118 -0.006411 -0.000104 0.016904 -0.000460 -0.000386 -0.000728 -0.011252 0.021616 -0.006407 0.001592 0.019176 0.004775 -0.001061 0.000531 0.002469 -0.007099 0.000185 -0.010340 0.001775 0.006498 0.006421 -0.000495 -0.000194 0.001827 -0.003572 -0.017958 0.005348 0.030720 -0.000341 -0.000725 -0.001432 -0.002642 0.000401 0.000047 0.000374 -0.003715 0.000059 0.000670 -0.001300 0.000465 -0.000306 -0.000677 0.000057 0.000211 0.000743 -0.5584 0.0842 0.8253 0.7226 0.538 0.4341 -0.4075 0.8387 -0.3613 -0.014 -0.0113 0.0252 -2.396 -1.927 4.323 -0.855 -0.688 1.543 -0.799 -0.643 1.442 1 B 11 0.2995 0.8057 -0.511 -0.5096 0.5879 0.6283 0.8066 0.0722 0.5866 -0.1692 -0.1689 0.3381 -28.97 -28.915 57.885 -10.337 -10.318 20.655 -9.664 -9.645 19.309 2 B 11 -0.473 0.626 0.62 0.5661 -0.3233 0.7583 0.6751 0.7096 -0.2015 -0.0143 -0.0118 0.0261 -2.453 -2.014 4.467 -0.875 -0.719 1.594 -0.818 -0.672 1.49 3 B 11 0.8071 -0.1971 -0.5566 0.0578 0.9645 -0.2577 0.5876 0.1758 0.7898 -0.004 -0.0038 0.0078 -0.69 -0.652 1.341 -0.246 -0.233 0.479 -0.23 -0.217 0.447 4 B 11 -0.3935 -0.5685 0.7225 0.9171 -0.2967 0.2661 0.0631 0.7673 0.6381 -0.0141 -0.0114 0.0255 -2.408 -1.96 4.369 -0.859 -0.7 1.559 -0.803 -0.654 1.457 5 B 11 0.1504 0.9175 -0.3681 0.4417 0.2708 0.8553 0.8845 -0.2912 -0.3646 -0.0141 -0.0117 0.0258 -2.41 -2.012 4.421 -0.86 -0.718 1.578 -0.804 -0.671 1.475 6 B 11 0.0125 0.926 0.3774 -0.4841 -0.3246 0.8126 0.8749 -0.1929 0.4442 -0.004 -0.0038 0.0078 -0.683 -0.649 1.332 -0.244 -0.232 0.475 -0.228 -0.216 0.444 7 B 11 -0.3033 -0.0795 0.9496 -0.1553 0.9873 0.0331 0.9402 0.1374 0.3118 -0.0042 -0.0038 0.0079 -0.713 -0.647 1.36 -0.254 -0.231 0.485 -0.238 -0.216 0.454 8 B 11 -0.3306 0.9247 -0.1889 -0.5659 -0.034 0.8238 0.7553 0.3792 0.5345 -0.0042 -0.0038 0.008 -0.722 -0.65 1.373 -0.258 -0.232 0.49 -0.241 -0.217 0.458 9 B 11 -0.194 0.9661 0.1705 0.9766 0.1737 0.1271 -0.0931 -0.1912 0.9771 -0.0138 -0.0108 0.0246 -2.36 -1.847 4.207 -0.842 -0.659 1.501 -0.787 -0.616 1.403 10 B 11 -0.215 0.0169 0.9765 0.9686 -0.1245 0.2154 0.1252 0.9921 0.0104 -0.007 -0.0061 0.0131 -0.747 -0.659 1.406 -0.267 -0.235 0.502 -0.249 -0.22 0.469 11 I 127 0.8485 0.1498 0.5075 -0.4748 0.6388 0.6053 0.2335 0.7546 -0.6132 -0.0079 -0.0071 0.0151 -0.854 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(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 2-A -3882.5757243 0.764593 0. 0.750117 1.16E-9 1.875E-6 -10.0719163,5.9359349,4.1359814,0.6792941,-1.9108245,-0.9245777 C01 [X(C8H8B12I11)] 0.3680561 -0.0193825 -0.0209576 0.000001093 0.000000484 -0.000002328 -0.000000216 0.000002090 -0.000001057 -0.000000841 0.000001609 -0.000000464 0.000000600 -0.000000683 -0.000000414 -0.000000917 0.000000101 0.000000808 -0.000000030 0.000001928 -0.000002024 0.000000807 0.000001085 -0.000003010 -0.000000345 0.000001683 -0.000001919 -0.000000250 0.000000714 -0.000000253 0.000000892 -0.000000644 -0.000000748 0.000001841 0.000000089 -0.000002764 -0.000002601 0.000002849 0.000000502 0.000001428 -0.000001894 0.000000327 -0.000001005 -0.000000513 0.000002050 -0.000001023 0.000003162 -0.000003040 0.000001276 0.000001706 -0.000004893 -0.000001293 0.000003351 -0.000002714 -0.000001353 0.000001108 0.000000457 0.000001597 -0.000001818 0.000000383 0.000002606 -0.000002391 -0.000001238 -0.000003208 0.000004098 -0.000000689 -0.000000497 0.000000585 0.000000384 0.000000728 -0.000000398 -0.000000696 -0.000001347 0.000000604 0.000000603 0.000001330 -0.000000599 -0.000002187 0.000003070 -0.000001521 -0.000002967 0.000000657 0.000000391 -0.000001943 0.000001071 0.000000486 -0.000002665 -0.000000216 -0.000000952 0.000001408 -0.000000862 -0.000000309 0.000002619 0.000000603 -0.000001948 0.000001845 -0.000000872 -0.000001045 0.000003608 -0.000001849 0.000000271 0.000002391 0.000000267 -0.000002329 0.000003040 0.000001063 -0.000001945 0.000000943 -0.000000705 -0.000002307 0.000004163 -0.000001767 -0.000001070 0.000004526 0.000000851 -0.000003231 0.000003071 -0.000000582 -0.000002799 0.000004886 1621.76677 AuxInfo=1/0/N:20,22,36,32,34,30,31,29;2,1,6,10,3,5,7,25,8,4,9,27,11,15,19,12,14,16,26,17,13,18,28/E:(4,5)(6,7);(2,3,4,5,6)(7,8,9,10,11)(13,14,15,16,17)(18,19,20,21,22)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3;1.5,2.6,3.6,4.6,5.6,6.6,7.6,8.6,9.6,10.6,11.6,12.6/rA:39nB6B5B6B6B6B6B6B6B6B6IIIIIIIIIC3HC3HHB6IB6IC3C3C3C3HC3HC3HHH/rB:s1;s2;;s2s3s4;s1s2s3;s1s6;s3s6s7;s3s4s5s8;s1s2s4s5;s1;s3;s4;s5;s6;s7;s8;s9;s10;;s20;s20;s22;s20;s1s4s7s10;s25;s4s7s8s9s25;s27;s22;s29;s29;s30;s30;s31;s31;s32s34;s32;s34;s36;/rC:.3235,1.7338,.071;1.0952,.4308,.9174;-.0611,-.7217,1.501;-.0551,-.7258,-1.3807;.9223,-1.0715,.0675;-.434,1.0114,1.5022;-1.4224,1.3745,.0659;-1.6623,-.1582,.9584;-.8176,-1.456,.0642;1.1632,.4483,-.8162;1.0957,3.7742,.1069;.2378,-1.8135,3.3647;.1921,-1.8383,-3.2222;2.4512,-2.6228,.0923;-.6546,2.1268,3.3644;-2.9166,2.9426,.067;-3.4625,-.546,2.0993;-1.5433,-3.4966,.0675;3.0043,.8356,-1.9143;3.1044,1.2785,2.3754;2.3567,2.0312,2.5886;4.1341,1.5602,1.5658;4.1405,2.5225,1.0639;3.028,.3517,2.9318;-.4281,1.0231,-1.3791;-.6576,2.1429,-3.2188;-1.6509,-.1533,-.8258;-3.4515,-.5354,-1.9665;5.2546,.6764,1.2457;5.3166,-.654,1.6729;6.3095,1.1646,.4688;6.3986,-1.4535,1.3473;4.4933,-1.0755,2.2337;7.3958,.3666,.1462;6.2576,2.1838,.1049;7.4483,-.9488,.5879;6.4116,-2.4865,1.6712;8.1962,.7677,-.4631;8.2878,-1.5807,.3275; Gaussian 16 GINC-PAUL21 MR11XIBY Title AS64L-G16RevC.01 111 C1[X(C8H8B12I11)] UM062X def2TZVPP Freq #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk UM062X/def2TZVPP 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 1621.76677 AuxInfo=1/0/N:20,22,36,32,34,30,31,29;2,1,6,10,3,5,7,25,8,4,9,27,11,15,19,12,14,16,26,17,13,18,28/E:(4,5)(6,7);(2,3,4,5,6)(7,8,9,10,11)(13,14,15,16,17)(18,19,20,21,22)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3;1.5,2.6,3.6,4.6,5.6,6.6,7.6,8.6,9.6,10.6,11.6,12.6/rA:39nB6B5B6B6B6B6B6B6B6B6IIIIIIIIIC3HC3HHB6IB6IC3C3C3C3HC3HC3HHH/rB:s1;s2;;s2s3s4;s1s2s3;s1s6;s3s6s7;s3s4s5s8;s1s2s4s5;s1;s3;s4;s5;s6;s7;s8;s9;s10;;s20;s20;s22;s20;s1s4s7s10;s25;s4s7s8s9s25;s27;s22;s29;s29;s30;s30;s31;s31;s32s34;s32;s34;s36;/rC:.3235,1.7338,.071;1.0952,.4308,.9174;-.0611,-.7217,1.501;-.0551,-.7258,-1.3807;.9223,-1.0715,.0675;-.434,1.0114,1.5022;-1.4224,1.3745,.0659;-1.6623,-.1582,.9584;-.8176,-1.456,.0642;1.1632,.4483,-.8162;1.0957,3.7742,.1069;.2378,-1.8135,3.3647;.1921,-1.8383,-3.2222;2.4512,-2.6228,.0923;-.6546,2.1268,3.3644;-2.9166,2.9426,.067;-3.4625,-.546,2.0993;-1.5433,-3.4966,.0675;3.0043,.8356,-1.9143;3.1044,1.2785,2.3754;2.3567,2.0312,2.5886;4.1341,1.5602,1.5658;4.1405,2.5225,1.0639;3.028,.3517,2.9318;-.4281,1.0231,-1.3791;-.6576,2.1429,-3.2188;-1.6509,-.1533,-.8258;-3.4515,-.5354,-1.9665;5.2546,.6764,1.2457;5.3166,-.654,1.6729;6.3095,1.1646,.4688;6.3986,-1.4535,1.3473;4.4933,-1.0755,2.2337;7.3958,.3666,.1462;6.2576,2.1838,.1049;7.4483,-.9488,.5879;6.4116,-2.4865,1.6712;8.1962,.7677,-.4631;8.2878,-1.5807,.3275; Title Redundant internal coordinates found in file. (old form). Charge = -2 Multiplicity = 2 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 1 1 1 1 1 1 2 2 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 4 5 5 5 6 6 6 7 7 7 7 8 8 8 9 9 10 10 20 20 20 22 22 25 25 27 29 29 30 30 31 31 32 32 34 34 36 2 6 7 10 11 25 3 5 6 10 20 21 24 5 6 8 9 12 5 9 10 13 25 27 9 10 14 7 8 15 8 16 25 27 9 17 27 18 27 19 25 21 22 24 23 29 26 27 28 30 31 32 33 34 35 36 37 36 38 39 1.7349 1.7732 1.7825 1.7733 2.1818 1.7812 1.7337 1.7347 1.7371 1.735 2.6231 2.6354 2.7928 1.7732 1.7727 1.782 1.782 2.1806 1.781 1.7896 1.7837 2.1656 1.7883 1.7839 1.7819 1.7744 2.1782 1.781 1.7812 2.1819 1.7898 2.166 1.7889 1.7836 1.7881 2.1662 1.7843 2.1658 1.7842 2.1784 1.7831 1.0821 1.3398 1.0837 1.0854 1.4626 2.1659 1.7847 2.1655 1.3987 1.3981 1.3842 1.0817 1.3859 1.0834 1.3904 1.0826 1.3886 1.083 1.0825 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 2 2 2 6 6 6 7 7 10 11 1 1 1 1 1 3 3 3 3 5 5 5 5 6 6 6 6 10 10 10 21 2 2 2 5 5 5 6 6 8 9 5 5 5 9 9 9 10 10 13 13 2 2 2 3 3 3 4 9 9 10 1 1 1 2 2 2 3 3 7 8 1 1 1 6 6 6 8 8 16 16 3 3 3 6 6 6 7 7 9 17 3 3 3 4 4 5 5 5 8 18 1 1 1 2 2 2 4 5 5 19 2 21 21 22 20 20 23 1 1 1 4 4 7 7 10 10 26 4 4 4 7 7 8 8 9 9 25 22 22 30 29 29 32 29 29 34 30 30 36 31 31 36 32 32 34 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 20 20 20 20 22 22 22 25 25 25 25 25 25 25 25 25 25 27 27 27 27 27 27 27 27 27 27 29 29 29 30 30 30 31 31 31 32 32 32 34 34 34 36 36 36 7 11 25 10 11 25 10 11 11 25 3 5 20 21 24 10 20 21 24 6 20 21 24 10 20 21 24 20 21 24 24 8 9 12 6 8 12 9 12 12 12 13 25 27 10 13 25 13 27 25 27 4 9 14 4 10 14 14 10 14 14 3 8 15 7 8 15 7 15 15 15 8 16 27 16 25 27 16 25 25 27 7 17 27 9 17 27 9 17 17 27 4 18 27 8 18 8 18 27 18 27 4 5 19 4 19 25 19 19 25 25 22 22 24 24 23 29 29 4 26 27 7 26 10 26 26 27 27 7 8 28 9 28 25 28 25 28 28 30 31 31 32 33 33 34 35 35 36 37 37 36 38 38 34 39 39 106.5986 122.4724 106.5709 108.1042 121.2564 108.3179 108.4331 122.3571 121.2372 122.4033 111.5178 111.5326 111.6649 93.7969 132.9246 111.6617 122.5867 120.6302 101.5354 111.5085 128.9434 152.1681 113.445 111.5594 112.2795 90.2829 112.0786 121.4744 127.4978 133.9385 39.5162 106.6587 106.6008 121.9435 108.0636 108.3352 121.0749 108.3095 121.1795 122.7965 122.7471 121.9439 107.6697 107.4707 107.7017 121.7115 108.0253 121.9588 107.5328 121.8024 122.1097 106.5627 106.5671 122.7657 108.3443 107.9942 121.3687 122.1848 108.4506 122.119 121.3567 107.9316 108.4047 121.5905 106.5716 106.5484 123.1755 108.3879 121.4419 121.8706 121.7699 107.608 121.9856 107.4308 122.0066 107.6327 107.4357 121.82 108.0061 121.7392 122.1434 107.585 121.9895 107.4289 107.6661 121.9973 107.3984 107.987 121.8259 121.737 122.1732 107.5752 121.9559 107.4299 107.9963 121.8996 107.6826 122.0392 107.4183 121.6523 122.1541 108.1884 107.9061 121.5654 106.4305 122.5852 106.4841 122.327 121.2016 108.1894 122.5333 108.7054 120.2483 116.4287 122.9718 118.0625 126.4409 115.4678 107.6351 121.9981 107.4395 107.9852 121.8019 107.719 121.7119 121.9633 107.5212 122.1101 108.4124 108.4183 121.5546 108.4344 121.396 108.4376 121.3942 108.4187 121.4846 121.5097 122.8092 119.2524 117.935 120.8068 119.6902 119.465 121.3089 118.6171 120.0672 120.5944 119.3467 120.045 120.0685 119.7982 120.1274 119.2779 120.3245 120.3862 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 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D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 D339 7 7 7 7 7 11 11 11 11 11 25 25 25 25 25 10 10 10 11 11 11 25 25 25 2 2 2 10 10 10 11 11 11 6 6 6 7 7 7 11 11 11 2 2 2 6 6 6 11 11 11 1 1 1 10 10 10 20 20 20 21 21 21 24 24 24 1 1 1 6 6 6 20 20 20 21 21 21 24 24 24 5 5 5 10 10 10 20 20 20 21 21 21 24 24 24 3 3 3 6 6 6 20 20 20 21 21 21 24 24 24 1 3 5 6 10 6 6 6 8 8 8 12 12 12 5 5 5 9 9 9 12 12 12 2 2 2 5 5 5 12 12 12 2 2 2 6 6 6 12 12 12 13 13 13 25 25 25 27 27 27 10 10 10 13 13 13 25 25 25 9 9 9 13 13 13 27 27 27 5 5 5 9 9 9 13 13 13 5 5 5 10 10 10 13 13 13 2 2 2 10 10 10 14 14 14 3 3 3 9 9 9 14 14 14 2 2 2 3 3 3 15 15 15 1 1 1 2 2 2 15 15 15 1 1 1 16 16 16 25 25 25 6 6 6 8 8 8 16 16 16 1 1 1 6 6 6 16 16 16 6 6 6 7 7 7 17 17 17 3 3 3 6 6 6 17 17 17 3 3 3 5 5 5 18 18 18 2 2 2 5 5 5 19 19 19 2 2 21 21 24 24 20 20 23 23 1 1 1 10 10 10 26 26 26 22 22 31 31 22 22 30 30 29 29 33 33 29 29 35 35 30 30 37 37 31 31 38 38 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 20 20 20 20 20 20 22 22 22 22 25 25 25 25 25 25 25 25 25 29 29 29 29 29 29 29 29 30 30 30 30 31 31 31 31 32 32 32 32 34 34 34 34 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 25 25 25 25 25 25 25 25 25 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 20 20 20 20 20 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 5 5 5 5 5 5 5 5 5 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 25 25 25 25 25 25 25 25 25 27 27 27 27 27 27 27 27 27 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 25 25 25 25 25 25 25 25 25 27 27 27 27 27 27 27 27 27 9 9 9 9 9 9 9 9 9 27 27 27 27 27 27 27 27 27 27 27 27 27 27 27 27 27 27 25 25 25 25 25 25 25 25 25 22 22 22 22 22 22 29 29 29 29 27 27 27 27 27 27 27 27 27 30 30 30 30 31 31 31 31 32 32 32 32 34 34 34 34 36 36 36 36 36 36 36 36 3 5 20 21 24 3 5 20 21 24 3 5 20 21 24 3 8 15 3 8 15 3 8 15 8 16 27 8 16 27 8 16 27 4 5 19 4 5 19 4 5 19 4 26 27 4 26 27 4 26 27 8 9 12 8 9 12 8 9 12 8 9 12 8 9 12 4 9 14 4 9 14 4 9 14 4 9 14 4 9 14 7 8 15 7 8 15 7 8 15 7 8 15 7 8 15 4 19 25 4 19 25 4 19 25 4 19 25 4 19 25 22 22 22 22 22 4 10 14 4 10 14 4 10 14 1 7 15 1 7 15 1 7 15 7 17 27 7 17 27 7 17 27 4 18 27 4 18 27 4 18 27 2 3 14 2 3 14 2 3 14 3 8 18 3 8 18 3 8 18 1 2 19 1 2 19 1 2 19 1 7 26 1 7 26 1 7 26 7 8 28 7 8 28 7 8 28 8 18 27 8 18 27 8 18 27 1 19 25 1 19 25 1 19 25 16 25 27 16 25 27 16 25 27 9 17 27 9 17 27 9 17 27 3 9 17 3 9 17 3 9 17 4 10 26 4 10 26 4 10 26 4 9 28 4 9 28 4 9 28 4 5 18 4 5 18 4 5 18 4 25 28 4 25 28 4 25 28 7 25 28 7 25 28 7 25 28 7 26 27 7 26 27 7 26 27 23 29 23 29 23 29 30 31 30 31 8 9 28 8 9 28 8 9 28 32 33 32 33 34 35 34 35 36 37 36 37 36 38 36 38 34 39 34 39 32 39 32 39 -1.7998 64.8759 -143.0189 -126.902 -133.1186 146.5933 -146.731 5.3743 21.4912 15.2745 -64.9687 1.707 153.8123 169.9292 163.7126 0.0554 -63.6471 147.4765 -146.7342 149.5633 0.6868 63.8066 0.1042 -148.7723 1.0606 149.3144 -62.0862 63.4993 -148.2469 0.3524 -147.3775 0.8763 149.4757 63.601 0.0703 -146.8035 -0.0667 -63.5974 149.5287 -149.6017 146.8675 -0.0063 -0.9899 -149.2738 62.1585 -63.4893 148.2267 -0.3409 147.4751 -0.8088 -149.3764 1.8022 64.9506 -146.721 -64.8778 -1.7293 146.5991 138.1043 -158.7472 -10.4188 110.2339 173.3823 -38.2893 147.657 -149.1946 -0.8662 -1.7245 -64.93 146.7349 64.8685 1.663 -146.6721 -147.7354 149.0591 0.724 -155.8606 140.934 -7.4011 -167.4501 129.3444 -18.9906 -64.8819 -1.6538 146.6104 1.8221 65.0503 -146.6856 142.0476 -154.7243 -6.4601 132.8542 -163.9176 -15.6535 166.7041 -130.0677 18.1964 1.7623 -146.4663 64.8015 -64.8849 146.8865 -1.8457 159.0732 10.8446 -137.8876 -172.9348 38.8366 -109.8956 134.726 -13.5026 -162.2347 -74.9019 148.8516 71.0736 -141.7292 -5.9681 -63.5351 0.2037 147.2179 0.132 63.8708 -149.1151 150.1236 -146.1376 0.8766 -0.1601 63.5551 -147.6393 -63.8388 -0.1236 148.682 146.1391 -150.1457 -1.3401 -1.0654 -149.2984 62.0393 -63.5115 148.2555 -0.4068 147.1245 -1.1085 -149.7708 0.9831 149.2926 -62.1363 63.5192 -148.1713 0.3998 -147.0294 1.2801 149.8512 149.2923 -148.3374 0.6069 1.0358 63.4061 -147.6496 -62.1754 0.1949 149.1393 0.0578 63.2851 -148.2733 148.3063 -148.4664 -0.0248 -63.2073 0.0199 148.4616 -63.4291 -1.0744 147.2557 148.4176 -149.2277 -0.8976 -0.2453 62.1094 -149.5605 -0.0285 -63.2861 148.3308 63.2088 -0.0488 -148.4319 -148.3394 148.403 0.0199 63.3908 -0.4482 -148.532 0.465 -63.3741 148.5421 -148.1404 148.0206 -0.0632 -0.9923 -149.1245 62.1889 -63.4082 148.4596 -0.227 147.5951 -0.5371 -149.2237 -0.1692 146.8491 -63.743 63.5334 -149.4483 -0.0404 -147.1881 -0.1698 149.2381 -149.2169 -1.0486 62.1413 148.4405 -63.3912 -0.2013 -0.2045 147.9638 -148.8463 63.3455 -148.4489 0.1737 0.9665 149.1721 -62.2053 -147.845 0.3606 148.9832 0.0023 -63.226 148.2983 -148.3152 148.4564 -0.0193 63.1815 -0.0468 -148.5225 63.2538 -0.0415 -148.3289 0.0591 -63.2362 148.4764 -148.4748 148.2299 -0.0575 -0.5051 63.3219 -148.6427 -63.3766 0.4503 148.4858 148.0338 -148.1392 -0.1038 -63.1681 0.0152 148.2963 0.0167 63.1999 -148.519 148.5261 -148.2906 -0.0095 0.5284 -63.2386 148.6733 63.3812 -0.3859 -148.474 -148.0636 148.1693 0.0812 -0.5256 63.2708 -148.5272 -63.3878 0.4087 148.6106 147.9695 -148.234 -0.0321 1.1161 149.3068 -62.0421 63.4502 -148.3592 0.292 -147.6362 0.5545 149.2056 81.9682 -95.9827 -5.6967 176.3524 -178.6456 3.4035 6.042 -174.6391 -171.9551 7.3637 0.4495 -63.314 148.4936 63.3297 -0.4338 -148.6262 -148.0752 148.1613 -0.0311 -179.9113 2.3441 0.7613 -176.9832 179.6449 -1.3086 -1.003 178.0435 0.0327 -178.6129 177.7822 -0.8634 0.4466 179.5688 -178.5862 0.536 -0.6091 -179.3881 178.027 -0.752 0.3713 179.1495 -178.748 0.0302 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 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analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. saddle point Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. -0.00536 0.00091 0.00298 0.00339 0.00546 0.00993 0.01183 0.01278 0.01308 0.01336 0.01347 0.01446 0.01473 0.01482 0.01531 0.01562 0.01589 0.01669 0.01704 0.01742 0.01772 0.01871 0.01931 0.01989 0.02026 0.02105 0.02146 0.02179 0.02210 0.02228 0.02265 0.02311 0.02314 0.02354 0.02373 0.02382 0.02383 0.02427 0.02467 0.02505 0.02521 0.02544 0.02569 0.02577 0.02673 0.02697 0.02780 0.02864 0.02903 0.03272 0.03433 0.03447 0.03592 0.03611 0.03620 0.03716 0.03722 0.05244 0.06508 0.06603 0.06721 0.06938 0.06989 0.07064 0.07084 0.07229 0.08430 0.08782 0.08948 0.09025 0.09070 0.09258 0.10656 0.11261 0.11807 0.12107 0.12349 0.12734 0.13133 0.13451 0.13525 0.13559 0.13621 0.13917 0.14167 0.14347 0.14369 0.14435 0.14471 0.14686 0.17507 0.19181 0.19233 0.19863 0.23440 0.25179 0.28598 0.29083 0.34420 0.35715 0.35943 0.36137 0.36217 0.36308 0.37218 0.42523 0.43581 0.47492 0.47992 0.52403 0.59032 R11 R12 R13 D300 D299 1 0.67449 0.43898 0.35616 0.18749 0.17358 D301 D305 D302 D303 D298 Angle between quadratic step and forces= 79.91 degrees. 1 2 0.00003492 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 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 D339 3.27852 3.35080 3.36851 3.35108 4.12308 3.36605 3.27628 3.27808 3.28265 3.27876 4.95702 4.98022 5.27763 3.35088 3.34999 3.36756 3.36759 4.12081 3.36563 3.38178 3.37063 4.09232 3.37934 3.37106 3.36726 3.35321 4.11628 3.36559 3.36601 4.12317 3.38231 4.09315 3.38051 3.37057 3.37904 4.09353 3.37177 4.09277 3.37169 4.11665 3.36953 2.04488 2.53193 2.04787 2.05102 2.76397 4.09289 3.37265 4.09222 2.64311 2.64203 2.61575 2.04404 2.61903 2.04738 2.62755 2.04588 2.62399 2.04650 2.04569 1.86050 2.13755 1.86001 1.88677 2.11632 1.89050 1.89252 2.13554 2.11599 2.13634 1.94635 1.94661 1.94892 1.63707 2.31997 1.94886 2.13954 2.10539 1.77213 1.94619 2.25049 2.65583 1.97999 1.94708 1.95965 1.57573 1.95614 2.12013 2.22526 2.33767 0.68969 1.86155 1.86054 2.12832 1.88607 1.89081 2.11316 1.89036 2.11498 2.14320 2.14234 2.12832 1.87919 1.87572 1.87975 2.12427 1.88540 2.12858 1.87680 2.12585 2.13122 1.85987 1.85995 2.14267 1.89096 1.88485 2.11828 2.13253 1.89282 2.13138 2.11807 1.88376 1.89202 2.12215 1.86002 1.85962 2.14982 1.89173 2.11956 2.12704 2.12529 1.87811 2.12905 1.87502 2.12942 1.87854 1.87511 2.12616 1.88506 2.12475 2.13180 1.87771 2.12912 1.87499 1.87913 2.12925 1.87446 1.88473 2.12626 2.12471 2.13233 1.87754 2.12853 1.87501 1.88489 2.12755 1.87942 2.12999 1.87480 2.12323 2.13199 1.88824 1.88332 2.12172 1.85756 2.13952 1.85850 2.13501 2.11537 1.88826 2.13861 1.89727 2.09873 2.03206 2.14626 2.06058 2.20681 2.01529 1.87859 2.12927 1.87517 1.88470 2.12584 1.88005 2.12427 2.12866 1.87660 2.13122 1.89215 1.89226 2.12153 1.89254 2.11876 1.89259 2.11873 1.89226 2.12031 2.12074 2.14342 2.08135 2.05835 2.10848 2.08899 2.08506 2.11724 2.07026 2.09557 2.10477 2.08299 2.09518 2.09559 2.09087 2.09662 2.08179 2.10006 2.10114 -0.03141 1.13230 -2.49615 -2.21486 -2.32336 2.55854 -2.56094 0.09380 0.37509 0.26659 -1.13392 0.02979 2.68453 2.96582 2.85732 0.00097 -1.11085 2.57395 -2.56100 2.61037 0.01199 1.11364 0.00182 -2.59657 0.01851 2.60603 -1.08361 1.10827 -2.58740 0.00615 -2.57222 0.01530 2.60884 1.11005 0.00123 -2.56220 -0.00116 -1.10998 2.60977 -2.61104 2.56332 -0.00011 -0.01728 -2.60532 1.08487 -1.10810 2.58704 -0.00595 2.57393 -0.01412 -2.60711 0.03145 1.13360 -2.56076 -1.13233 -0.03018 2.55864 2.41038 -2.77066 -0.18184 1.92394 3.02609 -0.66827 2.57710 -2.60394 -0.01512 -0.03010 -1.13324 2.56101 1.13217 0.02902 -2.55991 -2.57847 2.60157 0.01264 -2.72028 2.45976 -0.12917 -2.92256 2.25749 -0.33145 -1.13240 -0.02886 2.55883 0.03180 1.13534 -2.56015 2.47920 -2.70045 -0.11275 2.31874 -2.86090 -0.27320 2.90954 -2.27011 0.31759 0.03076 -2.55632 1.13100 -1.13246 2.56365 -0.03221 2.77635 0.18927 -2.40659 -3.01828 0.67783 -1.91804 2.35141 -0.23567 -2.83153 -1.30729 2.59795 1.24047 -2.47364 -0.10416 -1.10890 0.00355 2.56944 0.00230 1.11476 -2.60255 2.62015 -2.55058 0.01530 -0.00279 1.10925 -2.57679 -1.11420 -0.00216 2.59499 2.55061 -2.62054 -0.02339 -0.01860 -2.60575 1.08279 -1.10849 2.58755 -0.00710 2.56781 -0.01935 -2.61399 0.01716 2.60565 -1.08448 1.10862 -2.58608 0.00698 -2.56615 0.02234 2.61540 2.60564 -2.58898 0.01059 0.01808 1.10664 -2.57697 -1.08516 0.00340 2.60297 0.00101 1.10453 -2.58786 2.58843 -2.59123 -0.00043 -1.10318 0.00035 2.59114 -1.10705 -0.01875 2.57010 2.59038 -2.60451 -0.01567 -0.00428 1.08401 -2.61032 -0.00050 -1.10455 2.58886 1.10320 -0.00085 -2.59063 -2.58901 2.59012 0.00035 1.10638 -0.00782 -2.59237 0.00812 -1.10609 2.59255 -2.58554 2.58345 -0.00110 -0.01732 -2.60271 1.08540 -1.10668 2.59111 -0.00396 2.57602 -0.00937 -2.60445 -0.00295 2.56300 -1.11252 1.10887 -2.60837 -0.00070 -2.56892 -0.00296 2.60470 -2.60433 -0.01830 1.08457 2.59077 -1.10638 -0.00351 -0.00357 2.58246 -2.59786 1.10559 -2.59092 0.00303 0.01687 2.60354 -1.08569 -2.58038 0.00629 2.60025 0.00004 -1.10350 2.58829 -2.58859 2.59105 -0.00034 1.10273 -0.00082 -2.59221 1.10399 -0.00073 -2.58883 0.00103 -1.10368 2.59140 -2.59137 2.58710 -0.00100 -0.00882 1.10518 -2.59430 -1.10613 0.00786 2.59157 2.58368 -2.58552 -0.00181 -1.10249 0.00026 2.58826 0.00029 1.10305 -2.59214 2.59227 -2.58816 -0.00017 0.00922 -1.10372 2.59484 1.10621 -0.00673 -2.59136 -2.58420 2.58604 0.00142 -0.00917 1.10428 -2.59229 -1.10633 0.00713 2.59374 2.58256 -2.58717 -0.00056 0.01948 2.60589 -1.08284 1.10741 -2.58936 0.00510 -2.57674 0.00968 2.60413 1.43061 -1.67521 -0.09943 3.07793 -3.11795 0.05940 0.10545 -3.04803 -3.00118 0.12852 0.00785 -1.10504 2.59170 1.10531 -0.00757 -2.59402 -2.58440 2.58590 -0.00054 -3.14005 0.04091 0.01329 -3.08894 3.13540 -0.02284 -0.01751 3.10744 0.00057 -3.11738 3.10289 -0.01507 0.00779 3.13407 -3.11692 0.00936 -0.01063 -3.13091 3.10716 -0.01312 0.00648 3.12675 -3.11974 0.00053 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 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-0.23575 -2.83161 -1.30721 2.59797 1.24053 -2.47360 -0.10407 -1.10890 0.00356 2.56943 0.00230 1.11476 -2.60256 2.62015 -2.55058 0.01529 -0.00280 1.10925 -2.57679 -1.11420 -0.00216 2.59500 2.55061 -2.62053 -0.02338 -0.01860 -2.60575 1.08279 -1.10849 2.58755 -0.00710 2.56781 -0.01935 -2.61399 0.01716 2.60565 -1.08448 1.10862 -2.58608 0.00698 -2.56615 0.02234 2.61539 2.60564 -2.58898 0.01060 0.01808 1.10664 -2.57696 -1.08517 0.00340 2.60298 0.00101 1.10453 -2.58786 2.58843 -2.59123 -0.00044 -1.10318 0.00035 2.59114 -1.10705 -0.01875 2.57010 2.59038 -2.60452 -0.01566 -0.00428 1.08401 -2.61032 -0.00050 -1.10455 2.58886 1.10320 -0.00085 -2.59063 -2.58901 2.59012 0.00035 1.10638 -0.00782 -2.59237 0.00811 -1.10609 2.59255 -2.58554 2.58345 -0.00110 -0.01732 -2.60272 1.08540 -1.10668 2.59111 -0.00396 2.57602 -0.00938 -2.60445 -0.00295 2.56299 -1.11252 1.10887 -2.60837 -0.00070 -2.56891 -0.00296 2.60470 -2.60433 -0.01830 1.08457 2.59077 -1.10639 -0.00351 -0.00357 2.58245 -2.59786 1.10559 -2.59092 0.00303 0.01687 2.60355 -1.08569 -2.58038 0.00630 2.60025 0.00004 -1.10350 2.58829 -2.58859 2.59105 -0.00034 1.10273 -0.00082 -2.59221 1.10399 -0.00073 -2.58882 0.00103 -1.10368 2.59141 -2.59137 2.58710 -0.00100 -0.00882 1.10518 -2.59430 -1.10613 0.00786 2.59157 2.58368 -2.58552 -0.00181 -1.10249 0.00026 2.58826 0.00029 1.10305 -2.59214 2.59227 -2.58816 -0.00016 0.00922 -1.10372 2.59484 1.10621 -0.00673 -2.59136 -2.58420 2.58604 0.00142 -0.00917 1.10428 -2.59229 -1.10632 0.00713 2.59375 2.58256 -2.58717 -0.00056 0.01948 2.60589 -1.08284 1.10741 -2.58936 0.00509 -2.57673 0.00968 2.60414 1.43057 -1.67527 -0.09942 3.07793 -3.11798 0.05937 0.10542 -3.04805 -3.00123 0.12849 0.00785 -1.10504 2.59170 1.10531 -0.00757 -2.59402 -2.58440 2.58590 -0.00054 -3.14004 0.04092 0.01329 -3.08894 3.13539 -0.02285 -0.01750 3.10745 0.00057 -3.11739 3.10289 -0.01507 0.00779 3.13406 -3.11692 0.00935 -0.01063 -3.13091 3.10716 -0.01312 0.00648 3.12675 -3.11974 0.00053 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000003 0.000000 0.000255 0.000035 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.695627e-10 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 1 1 1 1 1 1 2 2 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 4 5 5 5 6 6 6 7 7 7 7 8 8 8 9 9 10 10 20 20 20 22 22 25 25 27 29 29 30 30 31 31 32 32 34 34 36 2 6 7 10 11 25 3 5 6 10 20 21 24 5 6 8 9 12 5 9 10 13 25 27 9 10 14 7 8 15 8 16 25 27 9 17 27 18 27 19 25 21 22 24 23 29 26 27 28 30 31 32 33 34 35 36 37 36 38 39 1.7349 1.7732 1.7825 1.7733 2.1818 1.7812 1.7337 1.7347 1.7371 1.735 2.6231 2.6354 2.7928 1.7732 1.7727 1.782 1.782 2.1806 1.781 1.7896 1.7837 2.1656 1.7883 1.7839 1.7819 1.7744 2.1782 1.781 1.7812 2.1819 1.7898 2.166 1.7889 1.7836 1.7881 2.1662 1.7843 2.1658 1.7842 2.1784 1.7831 1.0821 1.3398 1.0837 1.0854 1.4626 2.1659 1.7847 2.1655 1.3987 1.3981 1.3842 1.0817 1.3859 1.0834 1.3904 1.0826 1.3886 1.083 1.0825 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 2 2 2 6 6 6 7 7 10 11 1 1 1 1 1 3 3 3 3 5 5 5 5 6 6 6 6 10 10 10 21 2 2 2 5 5 5 6 6 8 9 5 5 5 9 9 9 10 10 13 13 2 2 2 3 3 3 4 9 9 10 1 1 1 2 2 2 3 3 7 8 1 1 1 6 6 6 8 8 16 16 3 3 3 6 6 6 7 7 9 17 3 3 3 4 4 5 5 5 8 18 1 1 1 2 2 2 4 5 5 19 2 21 21 22 20 20 23 1 1 1 4 4 7 7 10 10 26 4 4 4 7 7 8 8 9 9 25 22 22 30 29 29 32 29 29 34 30 30 36 31 31 36 32 32 34 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 20 20 20 20 22 22 22 25 25 25 25 25 25 25 25 25 25 27 27 27 27 27 27 27 27 27 27 29 29 29 30 30 30 31 31 31 32 32 32 34 34 34 36 36 36 7 11 25 10 11 25 10 11 11 25 3 5 20 21 24 10 20 21 24 6 20 21 24 10 20 21 24 20 21 24 24 8 9 12 6 8 12 9 12 12 12 13 25 27 10 13 25 13 27 25 27 4 9 14 4 10 14 14 10 14 14 3 8 15 7 8 15 7 15 15 15 8 16 27 16 25 27 16 25 25 27 7 17 27 9 17 27 9 17 17 27 4 18 27 8 18 8 18 27 18 27 4 5 19 4 19 25 19 19 25 25 22 22 24 24 23 29 29 4 26 27 7 26 10 26 26 27 27 7 8 28 9 28 25 28 25 28 28 30 31 31 32 33 33 34 35 35 36 37 37 36 38 38 34 39 39 106.5986 122.4724 106.5709 108.1042 121.2564 108.3179 108.4331 122.3571 121.2372 122.4033 111.5178 111.5326 111.6649 93.7969 132.9246 111.6617 122.5867 120.6302 101.5354 111.5085 128.9434 152.1681 113.445 111.5594 112.2795 90.2829 112.0786 121.4744 127.4978 133.9385 39.5162 106.6587 106.6008 121.9435 108.0636 108.3352 121.0749 108.3095 121.1795 122.7965 122.7471 121.9439 107.6697 107.4707 107.7017 121.7115 108.0253 121.9588 107.5328 121.8024 122.1097 106.5627 106.5671 122.7657 108.3443 107.9942 121.3687 122.1848 108.4506 122.119 121.3567 107.9316 108.4047 121.5905 106.5716 106.5484 123.1755 108.3879 121.4419 121.8706 121.7699 107.608 121.9856 107.4308 122.0066 107.6327 107.4357 121.82 108.0061 121.7392 122.1434 107.585 121.9895 107.4289 107.6661 121.9973 107.3984 107.987 121.8259 121.737 122.1732 107.5752 121.9559 107.4299 107.9963 121.8996 107.6826 122.0392 107.4183 121.6523 122.1541 108.1884 107.9061 121.5654 106.4305 122.5852 106.4841 122.327 121.2016 108.1894 122.5333 108.7054 120.2483 116.4287 122.9718 118.0625 126.4409 115.4678 107.6351 121.9981 107.4395 107.9852 121.8019 107.719 121.7119 121.9633 107.5212 122.1101 108.4124 108.4183 121.5546 108.4344 121.396 108.4376 121.3942 108.4187 121.4846 121.5097 122.8092 119.2524 117.935 120.8068 119.6902 119.465 121.3089 118.6171 120.0672 120.5944 119.3467 120.045 120.0685 119.7982 120.1274 119.2779 120.3245 120.3862 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 7 7 7 7 7 11 11 11 11 11 25 25 25 25 25 10 10 10 11 11 11 25 25 25 2 2 2 10 10 10 11 11 11 6 6 6 7 7 7 11 11 11 2 2 2 6 6 6 11 11 11 1 1 1 10 10 10 20 20 20 21 21 21 24 24 24 1 1 1 6 6 6 20 20 20 21 21 21 24 24 24 5 5 5 10 10 10 20 20 20 21 21 21 24 24 24 3 3 3 6 6 6 20 20 20 21 21 21 24 24 24 1 3 5 6 10 6 6 6 8 8 8 12 12 12 5 5 5 9 9 9 12 12 12 2 2 2 5 5 5 12 12 12 2 2 2 6 6 6 12 12 12 13 13 13 25 25 25 27 27 27 10 10 10 13 13 13 25 25 25 9 9 9 13 13 13 27 27 27 5 5 5 9 9 9 13 13 13 5 5 5 10 10 10 13 13 13 2 2 2 10 10 10 14 14 14 3 3 3 9 9 9 14 14 14 2 2 2 3 3 3 15 15 15 1 1 1 2 2 2 15 15 15 1 1 1 16 16 16 25 25 25 6 6 6 8 8 8 16 16 16 1 1 1 6 6 6 16 16 16 6 6 6 7 7 7 17 17 17 3 3 3 6 6 6 17 17 17 3 3 3 5 5 5 18 18 18 2 2 2 5 5 5 19 19 19 2 2 21 21 24 24 20 20 23 23 1 1 1 10 10 10 26 26 26 22 22 31 31 22 22 30 30 29 29 33 33 29 29 35 35 30 30 37 37 31 31 38 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 20 20 20 20 20 20 22 22 22 22 25 25 25 25 25 25 25 25 25 29 29 29 29 29 29 29 29 30 30 30 30 31 31 31 31 32 32 32 32 34 34 34 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 25 25 25 25 25 25 25 25 25 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 20 20 20 20 20 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 5 5 5 5 5 5 5 5 5 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 25 25 25 25 25 25 25 25 25 27 27 27 27 27 27 27 27 27 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 25 25 25 25 25 25 25 25 25 27 27 27 27 27 27 27 27 27 9 9 9 9 9 9 9 9 9 27 27 27 27 27 27 27 27 27 27 27 27 27 27 27 27 27 27 25 25 25 25 25 25 25 25 25 22 22 22 22 22 22 29 29 29 29 27 27 27 27 27 27 27 27 27 30 30 30 30 31 31 31 31 32 32 32 32 34 34 34 34 36 36 36 36 36 36 36 3 5 20 21 24 3 5 20 21 24 3 5 20 21 24 3 8 15 3 8 15 3 8 15 8 16 27 8 16 27 8 16 27 4 5 19 4 5 19 4 5 19 4 26 27 4 26 27 4 26 27 8 9 12 8 9 12 8 9 12 8 9 12 8 9 12 4 9 14 4 9 14 4 9 14 4 9 14 4 9 14 7 8 15 7 8 15 7 8 15 7 8 15 7 8 15 4 19 25 4 19 25 4 19 25 4 19 25 4 19 25 22 22 22 22 22 4 10 14 4 10 14 4 10 14 1 7 15 1 7 15 1 7 15 7 17 27 7 17 27 7 17 27 4 18 27 4 18 27 4 18 27 2 3 14 2 3 14 2 3 14 3 8 18 3 8 18 3 8 18 1 2 19 1 2 19 1 2 19 1 7 26 1 7 26 1 7 26 7 8 28 7 8 28 7 8 28 8 18 27 8 18 27 8 18 27 1 19 25 1 19 25 1 19 25 16 25 27 16 25 27 16 25 27 9 17 27 9 17 27 9 17 27 3 9 17 3 9 17 3 9 17 4 10 26 4 10 26 4 10 26 4 9 28 4 9 28 4 9 28 4 5 18 4 5 18 4 5 18 4 25 28 4 25 28 4 25 28 7 25 28 7 25 28 7 25 28 7 26 27 7 26 27 7 26 27 23 29 23 29 23 29 30 31 30 31 8 9 28 8 9 28 8 9 28 32 33 32 33 34 35 34 35 36 37 36 37 36 38 36 38 34 39 34 39 32 39 32 -1.7998 64.8759 -143.0189 -126.902 -133.1186 146.5933 -146.731 5.3743 21.4912 15.2745 -64.9687 1.707 153.8123 169.9292 163.7126 0.0554 -63.6471 147.4765 -146.7342 149.5633 0.6868 63.8066 0.1042 -148.7723 1.0606 149.3144 -62.0862 63.4993 -148.2469 0.3524 -147.3775 0.8763 149.4757 63.601 0.0703 -146.8035 -0.0667 -63.5974 149.5287 -149.6017 146.8675 -0.0063 -0.9899 -149.2738 62.1585 -63.4893 148.2267 -0.3409 147.4751 -0.8088 -149.3764 1.8022 64.9506 -146.721 -64.8778 -1.7293 146.5991 138.1043 -158.7472 -10.4188 110.2339 173.3823 -38.2893 147.657 -149.1946 -0.8662 -1.7245 -64.93 146.7349 64.8685 1.663 -146.6721 -147.7354 149.0591 0.724 -155.8606 140.934 -7.4011 -167.4501 129.3444 -18.9906 -64.8819 -1.6538 146.6104 1.8221 65.0503 -146.6856 142.0476 -154.7243 -6.4601 132.8542 -163.9176 -15.6535 166.7041 -130.0677 18.1964 1.7623 -146.4663 64.8015 -64.8849 146.8865 -1.8457 159.0732 10.8446 -137.8876 -172.9348 38.8366 -109.8956 134.726 -13.5026 -162.2347 -74.9019 148.8516 71.0736 -141.7292 -5.9681 -63.5351 0.2037 147.2179 0.132 63.8708 -149.1151 150.1236 -146.1376 0.8766 -0.1601 63.5551 -147.6393 -63.8388 -0.1236 148.682 146.1391 -150.1457 -1.3401 -1.0654 -149.2984 62.0393 -63.5115 148.2555 -0.4068 147.1245 -1.1085 -149.7708 0.9831 149.2926 -62.1363 63.5192 -148.1713 0.3998 -147.0294 1.2801 149.8512 149.2923 -148.3374 0.6069 1.0358 63.4061 -147.6496 -62.1754 0.1949 149.1393 0.0578 63.2851 -148.2733 148.3063 -148.4664 -0.0248 -63.2073 0.0199 148.4616 -63.4291 -1.0744 147.2557 148.4176 -149.2277 -0.8976 -0.2453 62.1094 -149.5605 -0.0285 -63.2861 148.3308 63.2088 -0.0488 -148.4319 -148.3394 148.403 0.0199 63.3908 -0.4482 -148.532 0.465 -63.3741 148.5421 -148.1404 148.0206 -0.0632 -0.9923 -149.1245 62.1889 -63.4082 148.4596 -0.227 147.5951 -0.5371 -149.2237 -0.1692 146.8491 -63.743 63.5334 -149.4483 -0.0404 -147.1881 -0.1698 149.2381 -149.2169 -1.0486 62.1413 148.4405 -63.3912 -0.2013 -0.2045 147.9638 -148.8463 63.3455 -148.4489 0.1737 0.9665 149.1721 -62.2053 -147.845 0.3606 148.9832 0.0023 -63.226 148.2983 -148.3152 148.4564 -0.0193 63.1815 -0.0468 -148.5225 63.2538 -0.0415 -148.3289 0.0591 -63.2362 148.4764 -148.4748 148.2299 -0.0575 -0.5051 63.3219 -148.6427 -63.3766 0.4503 148.4858 148.0338 -148.1392 -0.1038 -63.1681 0.0152 148.2963 0.0167 63.1999 -148.519 148.5261 -148.2906 -0.0095 0.5284 -63.2386 148.6733 63.3812 -0.3859 -148.474 -148.0636 148.1693 0.0812 -0.5256 63.2708 -148.5272 -63.3878 0.4087 148.6106 147.9695 -148.234 -0.0321 1.1161 149.3068 -62.0421 63.4502 -148.3592 0.292 -147.6362 0.5545 149.2056 81.9682 -95.9827 -5.6967 176.3524 -178.6456 3.4035 6.042 -174.6391 -171.9551 7.3637 0.4495 -63.314 148.4936 63.3297 -0.4338 -148.6262 -148.0752 148.1613 -0.0311 -179.9113 2.3441 0.7613 -176.9832 179.6449 -1.3086 -1.003 178.0435 0.0327 -178.6129 177.7822 -0.8634 0.4466 179.5688 -178.5862 0.536 -0.6091 -179.3881 178.027 -0.752 0.3713 179.1495 -178.748 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX 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2.165563 3.455860 5.552736 4.872385 4.872311 3.459243 3.458349 6.587786 6.587139 0.000000 4.848455 3.441483 3.451114 3.471249 2.178240 4.849674 5.566285 4.872892 3.470892 3.451952 6.539004 4.032745 4.087087 0.000000 3.458048 3.453428 3.455214 5.568983 4.856474 2.181888 3.469314 3.467827 4.873849 4.857916 4.048290 4.040085 7.734509 6.550664 0.000000 3.458232 4.809060 4.861772 4.872532 5.554247 3.457272 2.166002 3.461675 4.873762 4.862708 4.097693 6.591344 6.583326 7.732211 4.081094 0.000000 4.862694 4.808725 3.458053 4.873724 4.861111 3.457486 3.461956 2.166205 3.459013 5.557474 6.588666 4.110928 6.583644 6.581193 4.077880 4.074197 0.000000 5.553605 4.807149 3.457147 3.462581 3.458376 4.859143 4.872591 3.457241 2.165800 4.865014 7.734968 4.108119 4.072357 4.089002 6.578911 6.584036 4.064110 0.000000 3.454656 3.439057 4.846231 3.476018 3.449539 4.850269 4.879265 5.569377 4.875780 2.178439 4.045142 6.522275 4.094940 4.036471 6.551314 6.589513 7.735454 6.586095 0.000000 3.640193 2.623142 3.845176 5.301696 3.950978 3.654244 5.082811 5.176224 5.310432 3.826730 3.925505 4.330851 7.037631 4.567167 3.978375 6.659576 6.821181 7.051825 4.313693 0.000000 3.249755 2.635417 3.821926 5.401256 4.247364 3.163568 4.591021 4.858392 5.348769 3.939891 3.284372 4.458029 7.309130 5.282023 3.111140 5.915838 6.383182 7.219586 4.703698 1.082103 0.000000 4.096941 3.306104 4.776029 5.608628 4.414292 4.601303 5.758358 6.076185 5.989239 3.966901 4.032617 5.458845 7.071970 4.743456 5.146588 7.339555 7.901160 7.749070 3.729931 1.339841 2.104005 0.000000 4.022153 3.697378 5.326307 5.842204 4.926130 4.837517 5.767205 6.393042 6.435153 4.086799 3.428398 6.271073 7.278531 5.502000 5.333127 7.139567 8.264026 8.338375 3.606448 2.083596 2.397490 1.085351 0.000000 4.172446 2.792804 3.569610 5.409686 3.829350 3.803203 5.391311 5.114057 5.126356 4.187456 4.840221 3.558192 7.121086 4.152473 4.110932 7.089323 6.604962 6.626472 4.870313 1.083688 1.840976 2.133062 3.072360 0.000000 1.781237 2.818768 3.387285 1.788268 2.881555 2.881361 1.788891 2.895367 2.894991 1.783081 3.478284 5.567228 3.459657 4.873164 4.875534 3.459529 4.875353 4.874860 3.478919 5.161401 4.951194 5.456574 5.393440 5.565954 0.000000 3.457213 4.807476 5.553141 3.459917 4.860822 4.859836 3.458950 4.873809 4.874003 3.458199 4.098189 7.732896 4.070875 6.583262 6.583244 4.066807 6.586328 6.586986 4.101216 6.796667 6.544030 6.796440 6.442657 7.390689 2.165863 0.000000 2.874643 3.304681 2.874711 1.783887 2.874357 2.873488 1.783630 1.784262 1.784223 2.877634 4.882441 4.887093 3.461032 4.875225 4.873327 3.461765 3.462975 3.462262 4.881942 5.908440 5.700064 6.490055 6.653665 6.022158 1.784732 3.462023 0.000000 4.852935 5.470188 4.853087 3.451781 4.853257 4.850758 3.448922 3.449426 3.450899 4.856504 6.599040 6.608058 4.068224 6.590685 6.582447 4.064177 4.065818 4.067857 6.599937 8.069763 7.814815 8.626037 8.727695 8.170930 3.451748 4.067795 2.165508 0.000000 5.178266 4.179576 5.502454 6.087502 4.817946 5.704244 6.816354 6.973077 6.543334 4.587348 5.309476 5.988222 7.205162 4.480426 6.442971 8.561212 8.843719 8.063115 3.882684 2.502510 3.469399 1.462632 2.163912 2.811832 6.269261 7.552290 7.257098 9.358583 0.000000 5.761833 4.423493 5.380854 6.179354 4.696952 5.989281 7.218819 7.032871 6.392104 4.966036 6.314857 5.477302 7.184961 3.818991 6.800667 9.126859 8.790060 7.597037 4.520375 3.020264 4.099934 2.512476 3.441556 2.798906 6.717793 8.212303 7.418830 9.494085 1.398676 0.000000 6.026157 5.284736 6.723702 6.892206 5.846643 6.823921 7.745271 8.095678 7.604405 5.352488 5.841688 7.356734 7.749996 5.419648 7.603249 9.404455 10.053693 9.140797 4.088014 3.731124 4.568258 2.468300 2.627280 4.182789 6.987863 7.943295 8.171917 10.202801 1.398103 2.396490 0.000000 6.978191 5.644585 6.502872 7.044288 5.636862 7.265263 8.414763 8.173606 7.329404 5.975589 7.549082 6.492735 7.716754 4.304014 8.163034 10.379695 9.931274 8.299754 5.234484 4.401462 5.479106 3.776010 4.581256 4.138887 7.757000 9.141851 8.438414 10.433045 2.419783 1.384194 2.762987 0.000000 5.473304 3.943152 4.626523 5.820162 4.176690 5.400761 6.760006 6.352901 5.749523 4.765907 6.291799 4.464656 6.989163 3.339156 6.167165 8.703233 7.974497 6.855235 4.803737 2.736866 3.787126 2.742642 3.799825 2.161304 6.455765 8.162086 6.925424 9.002930 2.150575 1.081657 3.381086 2.135162 0.000000 7.203612 6.347902 7.656696 7.683773 6.631779 7.972420 8.875977 9.109594 8.413583 6.307012 7.162732 8.145487 8.252250 5.778274 8.846685 10.629535 11.070205 9.738459 4.873489 4.921107 5.841920 3.752156 4.010826 5.180488 7.998170 8.907033 9.113547 11.087823 2.426792 2.774101 1.385930 2.397875 3.855127 0.000000 5.951238 5.512096 7.093426 7.107978 6.250105 6.935700 7.722660 8.302960 7.956662 5.460203 5.401415 7.927347 8.002294 6.131241 7.642380 9.205612 10.291242 9.649990 4.059446 3.989689 4.626930 2.651857 2.348688 4.666708 6.946116 7.672628 8.298929 10.293251 2.139976 3.375961 1.083429 3.846179 4.274046 2.144580 0.000000 7.630652 6.509516 7.568165 7.760599 6.547939 8.173675 9.184796 9.152411 8.298044 6.589912 7.930584 7.775002 8.243816 5.293366 9.100848 11.083588 11.022361 9.360120 5.403242 5.198636 6.229526 4.270291 4.818483 5.169551 8.354399 9.473956 9.242664 11.202767 2.808196 2.410068 2.403604 1.390439 3.384825 1.388554 3.385830 0.000000 7.578711 6.110867 6.711173 7.364267 5.891269 7.689334 8.880103 8.433110 7.477024 6.507414 8.360752 6.437182 7.940206 4.265750 8.607011 10.911638 10.072056 8.177569 5.958376 5.060503 6.139450 4.644758 5.533216 4.592718 8.270630 9.763032 8.756830 10.692059 3.394582 2.134707 3.845308 1.082634 2.446885 3.381459 4.928286 2.147743 0.000000 7.949669 7.241732 8.617344 8.435402 7.521551 8.854432 9.652208 10.003417 9.298997 7.049099 7.731799 9.200619 8.858218 6.693966 9.738221 11.335969 12.009001 10.645349 5.391304 5.851892 6.708798 4.609234 4.675364 6.197472 8.676533 9.374104 9.896655 11.816329 3.403076 3.856957 2.141342 3.382728 4.937812 1.082960 2.466934 2.147189 4.281351 0.000000 8.630282 7.491799 8.474613 8.558761 7.387667 9.174313 10.153312 10.071064 9.110049 7.495682 8.969410 8.607068 8.843393 5.933564 10.145674 12.085789 11.928053 10.019389 6.227349 6.263933 7.303123 5.352757 5.880342 6.179150 9.255220 10.318010 10.106639 12.006881 3.890687 3.390713 3.386765 2.150610 4.276347 2.149563 4.282818 1.082530 2.479090 2.479692 0.000000 C8H8B12I11(2-,2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1621.76677 AuxInfo=1/0/N:20,22,36,32,34,30,31,29;2,1,6,10,3,5,7,25,8,4,9,27,11,15,19,12,14,16,26,17,13,18,28/E:(4,5)(6,7);(2,3,4,5,6)(7,8,9,10,11)(13,14,15,16,17)(18,19,20,21,22)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3;1.5,2.6,3.6,4.6,5.6,6.6,7.6,8.6,9.6,10.6,11.6,12.6/rA:39nB6B5B6B6B6B6B6B6B6B6IIIIIIIIIC3HC3HHB6IB6IC3C3C3C3HC3HC3HHH/rB:s1;s2;;s2s3s4;s1s2s3;s1s6;s3s6s7;s3s4s5s8;s1s2s4s5;s1;s3;s4;s5;s6;s7;s8;s9;s10;;s20;s20;s22;s20;s1s4s7s10;s25;s4s7s8s9s25;s27;s22;s29;s29;s30;s30;s31;s31;s32s34;s32;s34;s36;/rC:.1889,1.5398,.5918;1.0662,.0974,.9913;.0099,-1.2698,1.1362;.0197,-.3347,-1.5895;1.0209,-1.0549,-.3046;-.507,.3332,1.6891;-1.5208,1.0651,.4207;-1.6323,-.6887,.7605;-.6806,-1.5535,-.482;1.1345,.6839,-.6402;.787,3.5114,1.3098;.3972,-2.8819,2.5526;.3616,-.7636,-3.6845;2.6745,-2.4038,-.741;-.8227,.7602,3.8054;-3.1412,2.4242,.8881;-3.3949,-1.5677,1.6621;-1.2325,-3.5344,-1.1616;2.9379,1.5518,-1.5004;2.9954,.5798,2.702;2.187,1.1605,3.1265;3.9988,1.1902,2.0572;3.9251,2.2608,1.8951;2.9964,-.4807,2.9252;-.4987,1.2831,-1.0312;-.8192,2.9192,-2.4137;-1.6191,-.102,-.9245;-3.38,-.2326,-2.1782;5.1899,.5502,1.4997;5.3628,-.8375,1.4737;6.201,1.3465,.9536;6.5085,-1.3993,.9373;4.5771,-1.4823,1.8438;7.3508,.7855,.4205;6.0642,2.4211,.9388;7.513,-.5936,.4129;6.6077,-2.477,.9087;8.1154,1.4251,-.0026;8.4029,-1.0379,-.0145; 0.0335626 0.0287347 0.0279468 1 -3882.57572429 0.7646 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=111111111111111111111111111111111111111 Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. CalDSu exits because no D1Ps are significant. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. There are 120 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 120 vectors produced by pass 0 Test12= 4.27D-13 1.00D-09 XBig12= 1.16D+03 9.16D+00. AX will form 59 AO Fock derivatives at one time. 117 vectors produced by pass 1 Test12= 4.27D-13 1.00D-09 XBig12= 2.18D+02 3.43D+00. 117 vectors produced by pass 2 Test12= 4.27D-13 1.00D-09 XBig12= 9.52D+00 3.79D-01. 117 vectors produced by pass 3 Test12= 4.27D-13 1.00D-09 XBig12= 5.02D-01 6.98D-02. 117 vectors produced by pass 4 Test12= 4.27D-13 1.00D-09 XBig12= 1.38D-02 9.93D-03. 117 vectors produced by pass 5 Test12= 4.27D-13 1.00D-09 XBig12= 2.57D-04 1.94D-03. 117 vectors produced by pass 6 Test12= 4.27D-13 1.00D-09 XBig12= 4.35D-06 1.67D-04. 112 vectors produced by pass 7 Test12= 4.27D-13 1.00D-09 XBig12= 6.24D-08 1.23D-05. 80 vectors produced by pass 8 Test12= 4.27D-13 1.00D-09 XBig12= 8.80D-10 1.71D-06. 19 vectors produced by pass 9 Test12= 4.27D-13 1.00D-09 XBig12= 1.09D-11 1.91D-07. 3 vectors produced by pass 10 Test12= 4.27D-13 1.00D-09 XBig12= 1.76D-13 1.83D-08. 3 vectors produced by pass 11 Test12= 4.27D-13 1.00D-09 XBig12= 9.89D-13 3.83D-08. 3 vectors produced by pass 12 Test12= 4.27D-13 1.00D-09 XBig12= 2.95D-12 5.12D-08. 3 vectors produced by pass 13 Test12= 4.27D-13 1.00D-09 XBig12= 2.32D-12 7.81D-08. 3 vectors produced by pass 14 Test12= 4.27D-13 1.00D-09 XBig12= 1.82D-12 3.51D-08. 3 vectors produced by pass 15 Test12= 4.27D-13 1.00D-09 XBig12= 6.56D-13 3.04D-08. 3 vectors produced by pass 16 Test12= 4.27D-13 1.00D-09 XBig12= 1.02D-12 2.90D-08. 3 vectors produced by pass 17 Test12= 4.27D-13 1.00D-09 XBig12= 5.98D-13 2.66D-08. 3 vectors produced by pass 18 Test12= 4.27D-13 1.00D-09 XBig12= 3.92D-12 7.11D-08. 3 vectors produced by pass 19 Test12= 4.27D-13 1.00D-09 XBig12= 6.47D-13 2.45D-08. 3 vectors produced by pass 20 Test12= 4.27D-13 1.00D-09 XBig12= 1.39D-12 4.49D-08. 3 vectors produced by pass 21 Test12= 4.27D-13 1.00D-09 XBig12= 4.54D-13 2.00D-08. 3 vectors produced by pass 22 Test12= 4.27D-13 1.00D-09 XBig12= 3.22D-13 2.10D-08. 3 vectors produced by pass 23 Test12= 4.27D-13 1.00D-09 XBig12= 1.10D-13 8.45D-09. 3 vectors produced by pass 24 Test12= 4.27D-13 1.00D-09 XBig12= 8.74D-13 2.76D-08. 3 vectors produced by pass 25 Test12= 4.27D-13 1.00D-09 XBig12= 2.50D-13 1.54D-08. 3 vectors produced by pass 26 Test12= 4.27D-13 1.00D-09 XBig12= 2.99D-13 1.96D-08. 3 vectors produced by pass 27 Test12= 4.27D-13 1.00D-09 XBig12= 1.65D-13 1.01D-08. 3 vectors produced by pass 28 Test12= 4.27D-13 1.00D-09 XBig12= 4.46D-13 2.43D-08. 3 vectors produced by pass 29 Test12= 4.27D-13 1.00D-09 XBig12= 5.40D-13 2.01D-08. 3 vectors produced by pass 30 Test12= 4.27D-13 1.00D-09 XBig12= 6.06D-13 2.44D-08. 3 vectors produced by pass 31 Test12= 4.27D-13 1.00D-09 XBig12= 5.65D-13 2.08D-08. 3 vectors produced by pass 32 Test12= 4.27D-13 1.00D-09 XBig12= 2.47D-13 1.37D-08. 3 vectors produced by pass 33 Test12= 4.27D-13 1.00D-09 XBig12= 5.74D-13 2.16D-08. 3 vectors produced by pass 34 Test12= 4.27D-13 1.00D-09 XBig12= 4.05D-13 1.59D-08. 3 vectors produced by pass 35 Test12= 4.27D-13 1.00D-09 XBig12= 1.49D-13 9.44D-09. 3 vectors produced by pass 36 Test12= 4.27D-13 1.00D-09 XBig12= 5.12D-13 2.07D-08. 3 vectors produced by pass 37 Test12= 4.27D-13 1.00D-09 XBig12= 2.61D-13 1.38D-08. 3 vectors produced by pass 38 Test12= 4.27D-13 1.00D-09 XBig12= 7.39D-13 3.76D-08. 3 vectors produced by pass 39 Test12= 4.27D-13 1.00D-09 XBig12= 9.89D-14 9.62D-09. 3 vectors produced by pass 40 Test12= 4.27D-13 1.00D-09 XBig12= 3.34D-13 2.04D-08. 3 vectors produced by pass 41 Test12= 4.27D-13 1.00D-09 XBig12= 1.72D-13 1.06D-08. 3 vectors produced by pass 42 Test12= 4.27D-13 1.00D-09 XBig12= 6.85D-13 2.35D-08. 3 vectors produced by pass 43 Test12= 4.27D-13 1.00D-09 XBig12= 2.49D-13 1.74D-08. 3 vectors produced by pass 44 Test12= 4.27D-13 1.00D-09 XBig12= 6.41D-13 2.56D-08. 3 vectors produced by pass 45 Test12= 4.27D-13 1.00D-09 XBig12= 5.15D-14 5.82D-09. 3 vectors produced by pass 46 Test12= 4.27D-13 1.00D-09 XBig12= 7.06D-13 3.01D-08. 3 vectors produced by pass 47 Test12= 4.27D-13 1.00D-09 XBig12= 4.98D-14 5.51D-09. 3 vectors produced by pass 48 Test12= 4.27D-13 1.00D-09 XBig12= 3.21D-13 1.97D-08. 3 vectors produced by pass 49 Test12= 4.27D-13 1.00D-09 XBig12= 9.64D-14 8.67D-09. 3 vectors produced by pass 50 Test12= 4.27D-13 1.00D-09 XBig12= 3.10D-13 2.23D-08. 3 vectors produced by pass 51 Test12= 4.27D-13 1.00D-09 XBig12= 8.14D-14 1.12D-08. 3 vectors produced by pass 52 Test12= 4.27D-13 1.00D-09 XBig12= 3.30D-13 1.45D-08. 3 vectors produced by pass 53 Test12= 4.27D-13 1.00D-09 XBig12= 1.80D-13 1.14D-08. 3 vectors produced by pass 54 Test12= 4.27D-13 1.00D-09 XBig12= 2.49D-13 1.55D-08. 3 vectors produced by pass 55 Test12= 4.27D-13 1.00D-09 XBig12= 1.03D-13 9.10D-09. 3 vectors produced by pass 56 Test12= 4.27D-13 1.00D-09 XBig12= 2.21D-13 1.22D-08. 3 vectors produced by pass 57 Test12= 4.27D-13 1.00D-09 XBig12= 9.61D-14 9.15D-09. 3 vectors produced by pass 58 Test12= 4.27D-13 1.00D-09 XBig12= 4.51D-13 2.13D-08. 3 vectors produced by pass 59 Test12= 4.27D-13 1.00D-09 XBig12= 7.84D-14 8.20D-09. 3 vectors produced by pass 60 Test12= 4.27D-13 1.00D-09 XBig12= 1.39D-13 1.38D-08. 3 vectors produced by pass 61 Test12= 4.27D-13 1.00D-09 XBig12= 3.15D-13 1.47D-08. 3 vectors produced by pass 62 Test12= 4.27D-13 1.00D-09 XBig12= 2.49D-13 1.46D-08. 3 vectors produced by pass 63 Test12= 4.27D-13 1.00D-09 XBig12= 2.50D-13 1.37D-08. 3 vectors produced by pass 64 Test12= 4.27D-13 1.00D-09 XBig12= 1.93D-13 1.23D-08. 3 vectors produced by pass 65 Test12= 4.27D-13 1.00D-09 XBig12= 6.67D-14 8.59D-09. 3 vectors produced by pass 66 Test12= 4.27D-13 1.00D-09 XBig12= 7.18D-14 7.85D-09. 3 vectors produced by pass 67 Test12= 4.27D-13 1.00D-09 XBig12= 1.56D-13 1.46D-08. 3 vectors produced by pass 68 Test12= 4.27D-13 1.00D-09 XBig12= 1.73D-13 9.65D-09. 3 vectors produced by pass 69 Test12= 4.27D-13 1.00D-09 XBig12= 1.28D-13 9.66D-09. 3 vectors produced by pass 70 Test12= 4.27D-13 1.00D-09 XBig12= 2.52D-13 1.26D-08. 3 vectors produced by pass 71 Test12= 4.27D-13 1.00D-09 XBig12= 1.67D-13 1.13D-08. 3 vectors produced by pass 72 Test12= 4.27D-13 1.00D-09 XBig12= 2.85D-13 1.74D-08. 3 vectors produced by pass 73 Test12= 4.27D-13 1.00D-09 XBig12= 4.65D-14 6.70D-09. 3 vectors produced by pass 74 Test12= 4.27D-13 1.00D-09 XBig12= 1.67D-13 1.52D-08. 3 vectors produced by pass 75 Test12= 4.27D-13 1.00D-09 XBig12= 1.11D-13 1.02D-08. 3 vectors produced by pass 76 Test12= 4.27D-13 1.00D-09 XBig12= 3.57D-13 2.27D-08. 3 vectors produced by pass 77 Test12= 4.27D-13 1.00D-09 XBig12= 8.14D-14 7.53D-09. 3 vectors produced by pass 78 Test12= 4.27D-13 1.00D-09 XBig12= 3.28D-13 1.96D-08. 3 vectors produced by pass 79 Test12= 4.27D-13 1.00D-09 XBig12= 1.14D-13 8.23D-09. 3 vectors produced by pass 80 Test12= 4.27D-13 1.00D-09 XBig12= 2.01D-13 1.08D-08. 3 vectors produced by pass 81 Test12= 4.27D-13 1.00D-09 XBig12= 4.00D-13 1.72D-08. 3 vectors produced by pass 82 Test12= 4.27D-13 1.00D-09 XBig12= 6.64D-14 7.24D-09. 3 vectors produced by pass 83 Test12= 4.27D-13 1.00D-09 XBig12= 3.80D-13 2.17D-08. 3 vectors produced by pass 84 Test12= 4.27D-13 1.00D-09 XBig12= 1.13D-13 8.05D-09. 3 vectors produced by pass 85 Test12= 4.27D-13 1.00D-09 XBig12= 2.38D-13 1.54D-08. 3 vectors produced by pass 86 Test12= 4.27D-13 1.00D-09 XBig12= 1.24D-13 9.19D-09. 3 vectors produced by pass 87 Test12= 4.27D-13 1.00D-09 XBig12= 2.23D-13 1.52D-08. 3 vectors produced by pass 88 Test12= 4.27D-13 1.00D-09 XBig12= 7.83D-14 8.36D-09. 3 vectors produced by pass 89 Test12= 4.27D-13 1.00D-09 XBig12= 2.35D-13 1.55D-08. 3 vectors produced by pass 90 Test12= 4.27D-13 1.00D-09 XBig12= 1.32D-13 1.16D-08. 3 vectors produced by pass 91 Test12= 4.27D-13 1.00D-09 XBig12= 2.61D-13 2.01D-08. 3 vectors produced by pass 92 Test12= 4.27D-13 1.00D-09 XBig12= 8.13D-14 9.06D-09. 3 vectors produced by pass 93 Test12= 4.27D-13 1.00D-09 XBig12= 1.06D-13 8.87D-09. 3 vectors produced by pass 94 Test12= 4.27D-13 1.00D-09 XBig12= 1.65D-13 1.29D-08. 3 vectors produced by pass 95 Test12= 4.27D-13 1.00D-09 XBig12= 8.71D-14 9.66D-09. 3 vectors produced by pass 96 Test12= 4.27D-13 1.00D-09 XBig12= 1.51D-13 1.47D-08. 3 vectors produced by pass 97 Test12= 4.27D-13 1.00D-09 XBig12= 1.10D-13 9.26D-09. 3 vectors produced by pass 98 Test12= 4.27D-13 1.00D-09 XBig12= 2.54D-13 1.24D-08. 3 vectors produced by pass 99 Test12= 4.27D-13 1.00D-09 XBig12= 3.89D-14 5.17D-09. 3 vectors produced by pass100 Test12= 4.27D-13 1.00D-09 XBig12= 3.45D-13 2.13D-08. 3 vectors produced by pass101 Test12= 4.27D-13 1.00D-09 XBig12= 4.56D-14 5.40D-09. 3 vectors produced by pass102 Test12= 4.27D-13 1.00D-09 XBig12= 1.78D-13 1.36D-08. 3 vectors produced by pass103 Test12= 4.27D-13 1.00D-09 XBig12= 6.04D-14 8.49D-09. 3 vectors produced by pass104 Test12= 4.27D-13 1.00D-09 XBig12= 1.04D-13 8.69D-09. 3 vectors produced by pass105 Test12= 4.27D-13 1.00D-09 XBig12= 9.97D-14 1.15D-08. 3 vectors produced by pass106 Test12= 4.27D-13 1.00D-09 XBig12= 2.54D-13 1.71D-08. 3 vectors produced by pass107 Test12= 4.27D-13 1.00D-09 XBig12= 7.70D-14 8.94D-09. 3 vectors produced by pass108 Test12= 4.27D-13 1.00D-09 XBig12= 2.16D-13 1.42D-08. 3 vectors produced by pass109 Test12= 4.27D-13 1.00D-09 XBig12= 1.26D-13 1.14D-08. 3 vectors produced by pass110 Test12= 4.27D-13 1.00D-09 XBig12= 1.48D-13 1.00D-08. 3 vectors produced by pass111 Test12= 4.27D-13 1.00D-09 XBig12= 1.87D-13 1.13D-08. 3 vectors produced by pass112 Test12= 4.27D-13 1.00D-09 XBig12= 1.50D-13 1.02D-08. 3 vectors produced by pass113 Test12= 4.27D-13 1.00D-09 XBig12= 1.42D-13 1.02D-08. 3 vectors produced by pass114 Test12= 4.27D-13 1.00D-09 XBig12= 1.86D-13 1.52D-08. 3 vectors produced by pass115 Test12= 4.27D-13 1.00D-09 XBig12= 1.13D-13 9.58D-09. 3 vectors produced by pass116 Test12= 4.27D-13 1.00D-09 XBig12= 3.38D-13 1.64D-08. 3 vectors produced by pass117 Test12= 4.27D-13 1.00D-09 XBig12= 1.47D-13 1.03D-08. 3 vectors produced by pass118 Test12= 4.27D-13 1.00D-09 XBig12= 1.31D-13 1.14D-08. 3 vectors produced by pass119 Test12= 4.27D-13 1.00D-09 XBig12= 3.21D-13 1.46D-08. 3 vectors produced by pass120 Test12= 4.27D-13 1.00D-09 XBig12= 9.29D-14 1.02D-08. 3 vectors produced by pass121 Test12= 4.27D-13 1.00D-09 XBig12= 1.26D-13 9.62D-09. 3 vectors produced by pass122 Test12= 4.27D-13 1.00D-09 XBig12= 1.44D-13 8.93D-09. 3 vectors produced by pass123 Test12= 4.27D-13 1.00D-09 XBig12= 1.72D-13 9.13D-09. 3 vectors produced by pass124 Test12= 4.27D-13 1.00D-09 XBig12= 2.21D-13 1.26D-08. 3 vectors produced by pass125 Test12= 4.27D-13 1.00D-09 XBig12= 1.22D-13 8.81D-09. 3 vectors produced by pass126 Test12= 4.27D-13 1.00D-09 XBig12= 2.64D-13 1.49D-08. 3 vectors produced by pass127 Test12= 4.27D-13 1.00D-09 XBig12= 1.60D-13 1.09D-08. 3 vectors produced by pass128 Test12= 4.27D-13 1.00D-09 XBig12= 2.56D-13 1.22D-08. 3 vectors produced by pass129 Test12= 4.27D-13 1.00D-09 XBig12= 2.58D-13 1.49D-08. 3 vectors produced by pass130 Test12= 4.27D-13 1.00D-09 XBig12= 1.96D-13 1.05D-08. 3 vectors produced by pass131 Test12= 4.27D-13 1.00D-09 XBig12= 9.39D-14 9.72D-09. 3 vectors produced by pass132 Test12= 4.27D-13 1.00D-09 XBig12= 2.27D-13 1.33D-08. 3 vectors produced by pass133 Test12= 4.27D-13 1.00D-09 XBig12= 9.47D-14 6.91D-09. 3 vectors produced by pass134 Test12= 4.27D-13 1.00D-09 XBig12= 1.85D-13 1.19D-08. 3 vectors produced by pass135 Test12= 4.27D-13 1.00D-09 XBig12= 2.70D-13 1.47D-08. 3 vectors produced by pass136 Test12= 4.27D-13 1.00D-09 XBig12= 1.60D-13 9.53D-09. 3 vectors produced by pass137 Test12= 4.27D-13 1.00D-09 XBig12= 2.04D-13 1.66D-08. 3 vectors produced by pass138 Test12= 4.27D-13 1.00D-09 XBig12= 1.50D-13 1.16D-08. 3 vectors produced by pass139 Test12= 4.27D-13 1.00D-09 XBig12= 5.91D-14 5.83D-09. 3 vectors produced by pass140 Test12= 4.27D-13 1.00D-09 XBig12= 2.40D-13 1.41D-08. 3 vectors produced by pass141 Test12= 4.27D-13 1.00D-09 XBig12= 9.62D-14 7.36D-09. 3 vectors produced by pass142 Test12= 4.27D-13 1.00D-09 XBig12= 2.06D-13 1.15D-08. 3 vectors produced by pass143 Test12= 4.27D-13 1.00D-09 XBig12= 1.12D-13 7.26D-09. 3 vectors produced by pass144 Test12= 4.27D-13 1.00D-09 XBig12= 1.65D-13 1.09D-08. 3 vectors produced by pass145 Test12= 4.27D-13 1.00D-09 XBig12= 1.04D-13 8.46D-09. 3 vectors produced by pass146 Test12= 4.27D-13 1.00D-09 XBig12= 2.50D-13 1.46D-08. 3 vectors produced by pass147 Test12= 4.27D-13 1.00D-09 XBig12= 1.01D-13 7.17D-09. 3 vectors produced by pass148 Test12= 4.27D-13 1.00D-09 XBig12= 1.53D-13 1.00D-08. 3 vectors produced by pass149 Test12= 4.27D-13 1.00D-09 XBig12= 1.03D-13 7.53D-09. 3 vectors produced by pass150 Test12= 4.27D-13 1.00D-09 XBig12= 1.61D-13 1.07D-08. 3 vectors produced by pass151 Test12= 4.27D-13 1.00D-09 XBig12= 2.51D-13 1.12D-08. 3 vectors produced by pass152 Test12= 4.27D-13 1.00D-09 XBig12= 1.01D-13 8.84D-09. 3 vectors produced by pass153 Test12= 4.27D-13 1.00D-09 XBig12= 1.77D-13 1.18D-08. 3 vectors produced by pass154 Test12= 4.27D-13 1.00D-09 XBig12= 1.52D-13 1.08D-08. 3 vectors produced by pass155 Test12= 4.27D-13 1.00D-09 XBig12= 1.00D-13 8.12D-09. 3 vectors produced by pass156 Test12= 4.27D-13 1.00D-09 XBig12= 2.03D-13 1.18D-08. 3 vectors produced by pass157 Test12= 4.27D-13 1.00D-09 XBig12= 1.97D-13 1.19D-08. 3 vectors produced by pass158 Test12= 4.27D-13 1.00D-09 XBig12= 1.57D-13 1.08D-08. 3 vectors produced by pass159 Test12= 4.27D-13 1.00D-09 XBig12= 1.79D-13 9.64D-09. 3 vectors produced by pass160 Test12= 4.27D-13 1.00D-09 XBig12= 2.36D-13 1.38D-08. 3 vectors produced by pass161 Test12= 4.27D-13 1.00D-09 XBig12= 1.94D-13 1.19D-08. 3 vectors produced by pass162 Test12= 4.27D-13 1.00D-09 XBig12= 1.89D-13 9.72D-09. 3 vectors produced by pass163 Test12= 4.27D-13 1.00D-09 XBig12= 2.35D-13 1.24D-08. 3 vectors produced by pass164 Test12= 4.27D-13 1.00D-09 XBig12= 1.29D-13 9.21D-09. 3 vectors produced by pass165 Test12= 4.27D-13 1.00D-09 XBig12= 2.32D-13 1.21D-08. 3 vectors produced by pass166 Test12= 4.27D-13 1.00D-09 XBig12= 2.13D-13 1.25D-08. 3 vectors produced by pass167 Test12= 4.27D-13 1.00D-09 XBig12= 1.81D-13 1.15D-08. 3 vectors produced by pass168 Test12= 4.27D-13 1.00D-09 XBig12= 1.69D-13 1.08D-08. 3 vectors produced by pass169 Test12= 4.27D-13 1.00D-09 XBig12= 1.81D-13 1.07D-08. 3 vectors produced by pass170 Test12= 4.27D-13 1.00D-09 XBig12= 2.11D-13 1.07D-08. 3 vectors produced by pass171 Test12= 4.27D-13 1.00D-09 XBig12= 8.54D-14 6.58D-09. 3 vectors produced by pass172 Test12= 4.27D-13 1.00D-09 XBig12= 1.56D-13 9.94D-09. 3 vectors produced by pass173 Test12= 4.27D-13 1.00D-09 XBig12= 6.09D-14 5.87D-09. 3 vectors produced by pass174 Test12= 4.27D-13 1.00D-09 XBig12= 2.14D-13 1.29D-08. 3 vectors produced by pass175 Test12= 4.27D-13 1.00D-09 XBig12= 4.09D-14 5.77D-09. 3 vectors produced by pass176 Test12= 4.27D-13 1.00D-09 XBig12= 1.43D-13 9.35D-09. 3 vectors produced by pass177 Test12= 4.27D-13 1.00D-09 XBig12= 1.36D-13 9.05D-09. 3 vectors produced by pass178 Test12= 4.27D-13 1.00D-09 XBig12= 1.56D-13 1.22D-08. 3 vectors produced by pass179 Test12= 4.27D-13 1.00D-09 XBig12= 1.03D-13 8.17D-09. 3 vectors produced by pass180 Test12= 4.27D-13 1.00D-09 XBig12= 2.76D-13 1.66D-08. 3 vectors produced by pass181 Test12= 4.27D-13 1.00D-09 XBig12= 6.34D-14 6.02D-09. 3 vectors produced by pass182 Test12= 4.27D-13 1.00D-09 XBig12= 1.62D-13 1.17D-08. 3 vectors produced by pass183 Test12= 4.27D-13 1.00D-09 XBig12= 1.19D-13 8.25D-09. 3 vectors produced by pass184 Test12= 4.27D-13 1.00D-09 XBig12= 2.38D-13 1.09D-08. 3 vectors produced by pass185 Test12= 4.27D-13 1.00D-09 XBig12= 1.53D-13 9.82D-09. 3 vectors produced by pass186 Test12= 4.27D-13 1.00D-09 XBig12= 1.32D-13 1.24D-08. 3 vectors produced by pass187 Test12= 4.27D-13 1.00D-09 XBig12= 1.51D-13 1.03D-08. 3 vectors produced by pass188 Test12= 4.27D-13 1.00D-09 XBig12= 8.83D-14 7.51D-09. 3 vectors produced by pass189 Test12= 4.27D-13 1.00D-09 XBig12= 3.64D-13 1.52D-08. 3 vectors produced by pass190 Test12= 4.27D-13 1.00D-09 XBig12= 9.47D-14 7.98D-09. 3 vectors produced by pass191 Test12= 4.27D-13 1.00D-09 XBig12= 1.18D-13 9.63D-09. 3 vectors produced by pass192 Test12= 4.27D-13 1.00D-09 XBig12= 1.18D-13 9.79D-09. 3 vectors produced by pass193 Test12= 4.27D-13 1.00D-09 XBig12= 1.36D-13 1.00D-08. 3 vectors produced by pass194 Test12= 4.27D-13 1.00D-09 XBig12= 5.69D-14 6.49D-09. 3 vectors produced by pass195 Test12= 4.27D-13 1.00D-09 XBig12= 2.37D-13 1.08D-08. 3 vectors produced by pass196 Test12= 4.27D-13 1.00D-09 XBig12= 8.66D-14 6.18D-09. 3 vectors produced by pass197 Test12= 4.27D-13 1.00D-09 XBig12= 2.00D-13 1.06D-08. 3 vectors produced by pass198 Test12= 4.27D-13 1.00D-09 XBig12= 1.42D-13 8.63D-09. 3 vectors produced by pass199 Test12= 4.27D-13 1.00D-09 XBig12= 1.55D-13 1.16D-08. 3 vectors produced by pass200 Test12= 4.27D-13 1.00D-09 XBig12= 1.41D-13 1.04D-08. 3 vectors produced by pass201 Test12= 4.27D-13 1.00D-09 XBig12= 2.33D-13 1.41D-08. 3 vectors produced by pass202 Test12= 4.27D-13 1.00D-09 XBig12= 1.24D-13 1.06D-08. 3 vectors produced by pass203 Test12= 4.27D-13 1.00D-09 XBig12= 1.31D-13 8.16D-09. 3 vectors produced by pass204 Test12= 4.27D-13 1.00D-09 XBig12= 2.30D-13 1.35D-08. 3 vectors produced by pass205 Test12= 4.27D-13 1.00D-09 XBig12= 5.98D-14 5.97D-09. 3 vectors produced by pass206 Test12= 4.27D-13 1.00D-09 XBig12= 1.18D-13 1.05D-08. 3 vectors produced by pass207 Test12= 4.27D-13 1.00D-09 XBig12= 1.73D-13 1.10D-08. 3 vectors produced by pass208 Test12= 4.27D-13 1.00D-09 XBig12= 1.36D-13 8.27D-09. 3 vectors produced by pass209 Test12= 4.27D-13 1.00D-09 XBig12= 1.70D-13 9.35D-09. 3 vectors produced by pass210 Test12= 4.27D-13 1.00D-09 XBig12= 2.75D-13 1.34D-08. 3 vectors produced by pass211 Test12= 4.27D-13 1.00D-09 XBig12= 1.56D-13 1.22D-08. 3 vectors produced by pass212 Test12= 4.27D-13 1.00D-09 XBig12= 1.07D-13 8.86D-09. 3 vectors produced by pass213 Test12= 4.27D-13 1.00D-09 XBig12= 2.78D-13 1.32D-08. 3 vectors produced by pass214 Test12= 4.27D-13 1.00D-09 XBig12= 4.96D-14 5.00D-09. 3 vectors produced by pass215 Test12= 4.27D-13 1.00D-09 XBig12= 2.92D-13 1.45D-08. 3 vectors produced by pass216 Test12= 4.27D-13 1.00D-09 XBig12= 4.22D-14 5.35D-09. 3 vectors produced by pass217 Test12= 4.27D-13 1.00D-09 XBig12= 1.91D-13 1.22D-08. 3 vectors produced by pass218 Test12= 4.27D-13 1.00D-09 XBig12= 1.24D-13 8.06D-09. 3 vectors produced by pass219 Test12= 4.27D-13 1.00D-09 XBig12= 2.28D-13 1.18D-08. 3 vectors produced by pass220 Test12= 4.27D-13 1.00D-09 XBig12= 1.37D-13 8.77D-09. 3 vectors produced by pass221 Test12= 4.27D-13 1.00D-09 XBig12= 1.55D-13 1.05D-08. 3 vectors produced by pass222 Test12= 4.27D-13 1.00D-09 XBig12= 2.21D-13 1.35D-08. 3 vectors produced by pass223 Test12= 4.27D-13 1.00D-09 XBig12= 1.80D-13 1.30D-08. 3 vectors produced by pass224 Test12= 4.27D-13 1.00D-09 XBig12= 1.74D-13 9.39D-09. 3 vectors produced by pass225 Test12= 4.27D-13 1.00D-09 XBig12= 1.16D-13 7.93D-09. 3 vectors produced by pass226 Test12= 4.27D-13 1.00D-09 XBig12= 2.32D-13 1.10D-08. 3 vectors produced by pass227 Test12= 4.27D-13 1.00D-09 XBig12= 1.33D-13 1.17D-08. 3 vectors produced by pass228 Test12= 4.27D-13 1.00D-09 XBig12= 1.19D-13 8.76D-09. 3 vectors produced by pass229 Test12= 4.27D-13 1.00D-09 XBig12= 1.65D-13 9.23D-09. 3 vectors produced by pass230 Test12= 4.27D-13 1.00D-09 XBig12= 1.47D-13 7.73D-09. 3 vectors produced by pass231 Test12= 4.27D-13 1.00D-09 XBig12= 2.41D-13 1.61D-08. 3 vectors produced by pass232 Test12= 4.27D-13 1.00D-09 XBig12= 1.29D-13 8.65D-09. 3 vectors produced by pass233 Test12= 4.27D-13 1.00D-09 XBig12= 2.30D-13 1.03D-08. 3 vectors produced by pass234 Test12= 4.27D-13 1.00D-09 XBig12= 9.44D-14 7.59D-09. 3 vectors produced by pass235 Test12= 4.27D-13 1.00D-09 XBig12= 2.56D-13 1.33D-08. 2 vectors produced by pass236 Test12= 4.27D-13 1.00D-09 XBig12= 5.93D-14 6.33D-09. InvSVY: IOpt=1 It= 1 EMax= 4.26D-14 Solved reduced A of dimension 1713 with 120 vectors. Isotropic polarizability for W= 0.000000 605.43 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 692.060 -0.929 575.559 -14.198 0.344 548.660 923.754 1.471 891.386 -42.646 -1.623 845.322 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 B B B B B B B B B B I I I I I I I I I C H C H H B I B I C C C C H C H C H H H 11 11 11 11 11 11 11 11 11 11 127 127 127 127 127 127 127 127 127 13 1 13 1 1 11 127 11 127 13 13 13 13 1 13 1 13 1 1 1 -0.00919 0.34346 -0.00905 0.01302 -0.00918 -0.00925 0.01335 0.01376 0.01310 -0.00928 0.00004 0.00005 0.00001 0.00006 0.00004 0.00001 0.00001 0.00001 0.00004 0.00565 0.00421 0.02296 -0.00276 0.00346 0.01288 0.00001 -0.00040 0.00001 -0.00970 0.00422 0.00456 -0.00352 -0.00058 -0.00351 -0.00051 0.00447 0.00016 0.00016 -0.00059 -13.18171 492.64999 -12.97642 18.67517 -13.16737 -13.26312 19.15349 19.73921 18.79553 -13.30456 0.03225 0.04334 0.00911 0.05393 0.03404 0.00882 0.00962 0.01078 0.03186 6.35715 18.83860 25.80616 -12.33767 15.46971 18.48140 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1.11575 1.11840 1.12442 1.12572 1.12758 1.13097 1.13276 1.13782 1.14029 1.14292 1.14515 1.14717 1.14773 1.14778 1.14897 1.15073 1.15328 1.15678 1.16107 1.16355 1.16620 1.17214 1.17906 1.18213 1.18905 1.19409 1.19538 1.20032 1.20370 1.20713 1.20864 1.21014 1.21043 1.21249 1.21394 1.21549 1.21791 1.21991 1.22413 1.22954 1.23106 1.23422 1.23699 1.24254 1.24653 1.24820 1.25285 1.25423 1.25827 1.26442 1.27166 1.27656 1.28275 1.28389 1.28584 1.29185 1.29599 1.30007 1.30236 1.30475 1.30676 1.31215 1.31528 1.31682 1.32153 1.32712 1.32857 1.33331 1.33544 1.33923 1.34252 1.34415 1.34591 1.35243 1.35302 1.36019 1.36217 1.36546 1.37449 1.37513 1.38524 1.39019 1.39369 1.40107 1.40378 1.40661 1.41406 1.41669 1.42173 1.42285 1.42493 1.42986 1.43383 1.43801 1.44566 1.45184 1.45620 1.46045 1.46891 1.47646 1.48287 1.49077 1.49590 1.50261 1.50726 1.50956 1.51116 1.51604 1.51747 1.51955 1.52238 1.52579 1.52630 1.53066 1.53268 1.53748 1.54353 1.54459 1.55118 1.56075 1.56434 1.56922 1.57261 1.57454 1.57654 1.57868 1.58305 1.58449 1.59233 1.59552 1.59873 1.60104 1.60529 1.60589 1.61113 1.61799 1.61987 1.62628 1.62986 1.63477 1.63494 1.63727 1.64161 1.64381 1.65087 1.65178 1.65729 1.65854 1.65943 1.66196 1.67060 1.67627 1.68171 1.68455 1.68987 1.69385 1.69752 1.70238 1.70449 1.71001 1.71632 1.71890 1.72657 1.73018 1.73452 1.73562 1.73777 1.74212 1.74528 1.74936 1.75403 1.75644 1.76600 1.77043 1.77488 1.78139 1.78399 1.78411 1.78592 1.78757 1.79052 1.79240 1.79453 1.79687 1.79985 1.80417 1.80702 1.81048 1.81122 1.81495 1.81658 1.81871 1.82382 1.82616 1.82836 1.83173 1.83606 1.84017 1.84404 1.84770 1.85035 1.85138 1.85430 1.85488 1.85798 1.85998 1.86139 1.86478 1.86666 1.86908 1.87283 1.87518 1.87811 1.88247 1.88420 1.88930 1.89104 1.89283 1.89898 1.90214 1.90858 1.91038 1.91738 1.91843 1.92123 1.92424 1.92763 1.93191 1.93346 1.93675 1.94357 1.94481 1.94920 1.95229 1.95436 1.95551 1.95815 1.96282 1.96315 1.96480 1.96706 1.96826 1.96927 1.97337 1.97446 1.97740 1.98098 1.98424 1.98889 1.99358 2.00743 2.01078 2.01348 2.01863 2.03022 2.03267 2.03985 2.04664 2.05273 2.05797 2.05969 2.06288 2.06323 2.06539 2.06813 2.06932 2.07474 2.07548 2.07665 2.08035 2.08342 2.08453 2.08933 2.09493 2.09520 2.10239 2.11433 2.12027 2.12852 2.13618 2.15321 2.16686 2.17549 2.18308 2.19062 2.19660 2.19907 2.20269 2.20378 2.20561 2.20851 2.21362 2.23218 2.23920 2.25097 2.28169 2.28510 2.29326 2.29649 2.30844 2.31290 2.31453 2.31970 2.32748 2.33088 2.34166 2.36183 2.38254 2.38904 2.39587 2.42728 2.42892 2.43311 2.43559 2.43678 2.43832 2.43977 2.44844 2.45443 2.46331 2.46703 2.46732 2.47875 2.48281 2.48470 2.49724 2.50691 2.52077 2.53948 2.54455 2.54813 2.55466 2.55996 2.56372 2.56747 2.56850 2.57058 2.57837 2.60648 2.61786 2.62192 2.62256 2.62475 2.63040 2.63148 2.63320 2.63947 2.64295 2.67932 2.68428 2.69053 2.69523 2.69693 2.71433 2.73379 2.75210 2.75886 2.76558 2.77928 2.78105 2.78523 2.79685 2.80299 2.81327 2.81614 2.82041 2.82147 2.83341 2.83913 2.84752 2.85132 2.85766 2.86090 2.86170 2.86666 2.87200 2.87445 2.87893 2.88061 2.88775 2.90067 2.90576 2.90748 2.91940 2.92743 2.93361 2.93881 2.93974 2.94207 2.94806 2.95483 2.95719 2.97317 2.97607 2.97974 2.98254 2.98275 2.99080 2.99776 3.00122 3.00461 3.01375 3.02009 3.02679 3.04098 3.04677 3.05360 3.06216 3.06586 3.07640 3.08545 3.09078 3.10150 3.10578 3.11321 3.11870 3.12072 3.12179 3.12356 3.12568 3.13149 3.13783 3.14204 3.15007 3.15645 3.16133 3.16674 3.17185 3.17750 3.18410 3.18773 3.19574 3.20183 3.20584 3.20800 3.21565 3.22231 3.23482 3.24111 3.24767 3.26054 3.26661 3.26844 3.27920 3.28262 3.29043 3.29281 3.29871 3.30141 3.30198 3.30976 3.31324 3.31859 3.32417 3.32707 3.33028 3.33533 3.33970 3.34176 3.34529 3.35191 3.35584 3.35786 3.35848 3.36243 3.36707 3.37035 3.37095 3.37176 3.37278 3.37360 3.37604 3.37832 3.38035 3.38296 3.38456 3.38665 3.38871 3.39617 3.39995 3.40205 3.40606 3.41082 3.41184 3.41347 3.41454 3.41705 3.41897 3.42086 3.42245 3.42394 3.42531 3.42654 3.42936 3.43219 3.43327 3.43721 3.44219 3.44302 3.44828 3.45309 3.46450 3.47150 3.47613 3.48194 3.48310 3.48354 3.48527 3.48816 3.49248 3.49535 3.50000 3.50239 3.50757 3.50918 3.51076 3.51399 3.51884 3.51918 3.52093 3.52140 3.52695 3.52921 3.53401 3.53784 3.54171 3.54447 3.54677 3.54759 3.55229 3.55722 3.56427 3.56490 3.57200 3.57645 3.57756 3.58219 3.58772 3.59185 3.59538 3.59991 3.60642 3.61979 3.62954 3.63227 3.63237 3.64460 3.64655 3.64854 3.66116 3.66458 3.66627 3.66730 3.66952 3.67620 3.68183 3.68212 3.69735 3.70022 3.70678 3.70913 3.71352 3.71698 3.72018 3.72378 3.72914 3.74060 3.74527 3.74999 3.75778 3.76264 3.76914 3.77109 3.77127 3.77162 3.77403 3.78098 3.78282 3.78716 3.78923 3.79498 3.79917 3.80706 3.81565 3.82000 3.82329 3.82462 3.82674 3.83138 3.83284 3.83561 3.84246 3.86010 3.86694 3.88663 3.89062 3.89727 3.91090 3.92470 3.93839 3.94249 3.94761 3.95433 3.95510 3.95874 3.96686 3.97243 3.97424 3.98456 3.98947 3.99240 3.99593 4.01399 4.02217 4.03789 4.04237 4.05754 4.06195 4.10083 4.10637 4.11134 4.11980 4.12733 4.13349 4.14900 4.17302 4.19862 4.21580 4.23253 4.25113 4.27111 4.29062 4.30349 4.32483 4.32860 4.34283 4.36463 4.36550 4.38641 4.39813 4.40023 4.40887 4.43022 4.44571 4.45456 4.46686 4.50101 4.53462 4.55345 4.55991 4.58370 4.62994 4.68306 4.70699 4.72640 4.73230 4.75423 4.79047 4.80094 4.83359 4.85116 4.87523 4.87849 4.88501 4.89425 4.90176 4.94345 4.96141 4.96406 4.97187 4.97784 4.98561 4.99378 4.99429 5.00683 5.02246 5.03333 5.04642 5.09409 5.11430 5.12007 5.13488 5.13920 5.15110 5.15635 5.17912 5.24665 5.26189 5.30806 5.31761 5.35213 5.43564 5.44574 5.46651 5.48692 5.50025 5.53932 5.57180 5.64901 5.65214 5.72767 5.74477 5.81735 5.84116 5.89696 5.93742 6.14632 6.16658 6.28887 6.44670 6.83633 14.96930 14.97222 14.97715 14.97800 14.98872 15.02881 15.03738 15.05018 15.07593 15.08219 15.11852 15.23985 23.07734 23.37443 23.47752 23.47979 23.58038 23.59949 23.95596 24.38510 34.81378 34.81587 34.82900 34.83607 34.83924 34.86454 34.86676 34.86927 34.87332 34.87949 34.88577 34.88626 34.89278 34.89551 34.89876 34.90460 34.91564 34.91856 34.93095 34.98070 34.98428 34.99141 35.08474 35.09639 35.09943 35.11948 35.12400 35.12569 35.14532 35.16739 35.17069 35.17178 35.17293 43.26582 43.30548 43.30825 43.31444 43.32129 43.32511 43.33030 43.33412 43.35526 43.36813 43.38225 117.84090 117.85088 117.85181 117.85353 117.85492 117.85561 117.85812 117.85851 117.86430 117.86679 117.87142 2-A. -0.5302 -0.0878 0.8433 0.6976 0.5202 0.4927 -0.4819 0.8495 -0.2145 -0.0138 -0.011 0.0248 -2.367 -1.882 4.249 -0.845 -0.671 1.516 -0.79 -0.628 1.417 1 B 11 -0.065 0.9979 0.0042 -0.5789 -0.0411 0.8144 0.8128 0.0505 0.5803 -0.1647 -0.1645 0.3292 -28.198 -28.166 56.365 -10.062 -10.05 20.112 -9.406 -9.395 18.801 2 B 11 -0.505 0.4708 0.7234 0.6192 -0.3863 0.6836 0.6013 0.7932 -0.0964 -0.0141 -0.0114 0.0255 -2.415 -1.953 4.368 -0.862 -0.697 1.559 -0.806 -0.652 1.457 3 B 11 0.807 -0.159 -0.5687 0.0687 0.9818 -0.1771 0.5865 0.1039 0.8032 -0.0039 -0.0037 0.0075 -0.659 -0.628 1.287 -0.235 -0.224 0.459 -0.22 -0.209 0.429 4 B 11 0.3298 0.7064 -0.6263 0.944 -0.2528 0.2119 0.0087 0.6611 0.7502 -0.0139 -0.011 0.0249 -2.375 -1.881 4.256 -0.847 -0.671 1.518 -0.792 -0.627 1.419 5 B 11 0.0637 0.9743 -0.2162 0.4448 0.1662 0.8801 0.8934 -0.1522 -0.4227 -0.0139 -0.0115 0.0254 -2.386 -1.969 4.355 -0.851 -0.703 1.554 -0.796 -0.657 1.453 6 B 11 -0.0179 0.8966 0.4426 -0.4409 -0.4044 0.8013 0.8974 -0.1808 0.4025 -0.0039 -0.0037 0.0076 -0.668 -0.634 1.302 -0.238 -0.226 0.465 -0.223 -0.211 0.434 7 B 11 -0.2578 -0.2916 0.9212 -0.252 0.9407 0.2272 0.9328 0.1735 0.316 -0.0041 -0.0036 0.0077 -0.694 -0.624 1.318 -0.248 -0.223 0.47 -0.231 -0.208 0.44 8 B 11 -0.4418 0.8971 0.0073 -0.5202 -0.2628 0.8126 0.7309 0.3553 0.5828 -0.0041 -0.0037 0.0078 -0.7 -0.636 1.337 -0.25 -0.227 0.477 -0.234 -0.212 0.446 9 B 11 -0.2779 0.9049 0.3223 0.9585 0.239 0.1554 -0.0636 -0.3521 0.9338 -0.0136 -0.0102 0.0239 -2.335 -1.754 4.089 -0.833 -0.626 1.459 -0.779 -0.585 1.364 10 B 11 -0.2254 -0.1643 0.9603 0.9735 -0.0779 0.2151 0.0395 0.9833 0.1775 -0.0069 -0.0061 0.0129 -0.738 -0.653 1.391 -0.263 -0.233 0.496 -0.246 -0.218 0.464 11 I 127 0.8416 0.1553 0.5173 -0.5203 0.4906 0.699 0.1452 0.8574 -0.4937 -0.0078 -0.0071 0.0149 -0.839 -0.761 1.6 -0.299 -0.272 0.571 -0.28 -0.254 0.534 12 I 127 0.7191 -0.6948 -0.0111 0.6795 0.7064 -0.1984 0.1457 0.1351 0.9801 -0.0023 -0.0021 0.0044 -0.245 -0.226 0.471 -0.087 -0.081 0.168 -0.082 -0.076 0.157 13 I 127 0.7548 0.0178 0.6558 0.4778 0.67 -0.5681 -0.4495 0.7421 0.4972 -0.0082 -0.0071 0.0153 -0.886 -0.764 1.65 -0.316 -0.273 0.589 -0.295 -0.255 0.55 14 I 127 -0.6178 0.6454 -0.4491 0.6622 0.7351 0.1454 -0.424 0.2076 0.8816 -0.0069 -0.0067 0.0135 -0.74 -0.716 1.456 -0.264 -0.256 0.52 -0.247 -0.239 0.486 15 I 127 0.1431 0.2988 0.9435 0.4761 0.815 -0.3303 0.8677 -0.4964 0.0256 -0.0022 -0.0022 0.0044 -0.242 -0.233 0.475 -0.086 -0.083 0.169 -0.081 -0.078 0.158 16 I 127 0.3049 -0.5225 0.7962 -0.1798 0.7894 0.5869 0.9353 0.3221 -0.1467 -0.0023 -0.0022 0.0045 -0.248 -0.236 0.484 -0.089 -0.084 0.173 -0.083 -0.079 0.161 17 I 127 -0.666 0.6701 -0.3275 -0.5439 -0.1358 0.8281 0.5104 0.7297 0.455 -0.0024 -0.0022 0.0046 -0.256 -0.24 0.496 -0.091 -0.086 0.177 -0.085 -0.08 0.165 18 I 127 -0.4581 0.8749 0.1571 0.5838 0.1629 0.7954 0.6703 0.456 -0.5854 -0.0072 -0.005 0.0122 -0.779 -0.533 1.312 -0.278 -0.19 0.468 -0.26 -0.178 0.438 19 I 127 0.5151 0.1502 0.8439 -0.3956 0.9151 0.0786 0.7604 0.3743 -0.5307 -0.0898 0.0379 0.0519 -12.05 5.08 6.97 -4.3 1.813 2.487 -4.019 1.694 2.325 20 C 13 0.7906 -0.5937 -0.15 0.3782 0.6661 -0.6429 0.4816 0.4515 0.7511 -0.0105 -0.0021 0.0126 -5.601 -1.147 6.748 -1.999 -0.409 2.408 -1.868 -0.383 2.251 21 H 1 0.8304 0.2017 -0.5194 -0.2521 0.9673 -0.0276 0.4968 0.1538 0.8541 -0.0952 -0.093 0.1882 -12.775 -12.474 25.249 -4.558 -4.451 9.009 -4.261 -4.161 8.422 22 C 13 0.7607 -0.0402 -0.6479 0.6447 -0.07 0.7613 0.0759 0.9967 0.0273 -0.0127 -3.0E-4 0.013 -6.778 -0.144 6.922 -2.419 -0.051 2.47 -2.261 -0.048 2.309 23 H 1 0.0794 0.9949 0.0629 -0.6367 0.0021 0.7711 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-0.394 0.9374 -0.286 -0.1987 -0.001 -7.0E-4 0.0017 -0.554 -0.366 0.92 -0.198 -0.131 0.328 -0.185 -0.122 0.307 37 H 1 0.2427 -0.1274 0.9617 0.3598 0.9324 0.0327 0.9009 -0.3381 -0.2721 -9.0E-4 -2.0E-4 0.0011 -0.486 -0.111 0.597 -0.173 -0.04 0.213 -0.162 -0.037 0.199 38 H 1 -125.7479 -0.5162 -0.0005 0.0003 0.0003 0.8517 3.8800 12.7495 24.1566 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -125.7476 12.7243 24.1403 34.7132 45.5992 53.1474 54.0250 55.6104 56.7153 59.1487 60.6097 62.5393 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0.572137e+00 -0.242500 -0.558376 37 0.543296e+00 -0.264964 -0.610101 38 0.540041e+00 -0.267573 -0.616109 39 0.502229e+00 -0.299099 -0.688700 40 0.480604e+00 -0.318212 -0.732711 41 0.478923e+00 -0.319735 -0.736216 42 0.421302e+00 -0.375407 -0.864406 43 0.380668e+00 -0.419453 -0.965827 44 0.349475e+00 -0.456584 -1.051324 45 0.276418e+00 -0.558434 -1.285843 46 0.254161e+00 -0.594890 -1.369785 47 0.253035e+00 -0.596819 -1.374226 48 0.252703e+00 -0.597390 -1.375541 49 0.252167e+00 -0.598313 -1.377665 50 0.249004e+00 -0.603793 -1.390285 51 0.248556e+00 -0.604576 -1.392087 0.973364e+19 18.988275 43.722120 1 0.167908e+02 1.225071 2.820831 2 0.909389e+01 0.958750 2.207603 3 0.648357e+01 0.811814 1.869272 4 0.506281e+01 0.704391 1.621921 5 0.442040e+01 0.645462 1.486230 6 0.435742e+01 0.639229 1.471880 7 0.424870e+01 0.628256 1.446613 8 0.417655e+01 0.620817 1.429485 9 0.402720e+01 0.605004 1.393072 10 0.394334e+01 0.595864 1.372027 11 0.383862e+01 0.584175 1.345113 12 0.379883e+01 0.579650 1.334694 13 0.360909e+01 0.557397 1.283455 14 0.358781e+01 0.554830 1.277543 15 0.348803e+01 0.542580 1.249337 16 0.346880e+01 0.540179 1.243809 17 0.344976e+01 0.537788 1.238303 18 0.342429e+01 0.534570 1.230894 19 0.331929e+01 0.521046 1.199752 20 0.331502e+01 0.520486 1.198463 21 0.328159e+01 0.516085 1.188329 22 0.305047e+01 0.484367 1.115295 23 0.303047e+01 0.481510 1.108718 24 0.291081e+01 0.464014 1.068431 25 0.200302e+01 0.301685 0.694654 26 0.199998e+01 0.301027 0.693139 27 0.199904e+01 0.300822 0.692669 28 0.199335e+01 0.299585 0.689819 29 0.199300e+01 0.299508 0.689642 30 0.196795e+01 0.294014 0.676991 31 0.194421e+01 0.288744 0.664857 32 0.193452e+01 0.286573 0.659860 33 0.193318e+01 0.286272 0.659166 34 0.144872e+01 0.160983 0.370678 35 0.134890e+01 0.129979 0.299287 36 0.125983e+01 0.100312 0.230977 37 0.123836e+01 0.092846 0.213785 38 0.123597e+01 0.092006 0.211852 39 0.120868e+01 0.082313 0.189532 40 0.119353e+01 0.076832 0.176913 41 0.119236e+01 0.076409 0.175937 42 0.115383e+01 0.062142 0.143088 43 0.112842e+01 0.052470 0.120816 44 0.111003e+01 0.045333 0.104384 45 0.107132e+01 0.029919 0.068892 46 0.106089e+01 0.025671 0.059109 47 0.106038e+01 0.025462 0.058628 48 0.106023e+01 0.025400 0.058487 49 0.105999e+01 0.025301 0.058259 50 0.105857e+01 0.024721 0.056921 51 0.105837e+01 0.024639 0.056733 0.200000e+01 0.301030 0.693147 0.259159e+10 9.413566 21.675536 0.167175e+09 8.223171 18.934552 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.9364 0.0448 -0.0397 0.9383 -500.5695 -478.4027 -482.1090 -0.0412 -2.6367 -0.3993 -13.5424 8.6243 4.9180 -0.0412 -2.6367 -0.3993 -434.9167 -11.3491 -110.1654 -68.5262 -6.2233 -89.4916 -110.7998 -7.3565 -31.8997 -3.9337 -21350.4932 -11603.3983 -11232.0808 -53.9880 -901.4426 -33.7300 -26.4329 -440.5052 -39.2144 -5157.8487 -5425.4934 -3807.4150 -34.5863 -109.5963 -31.4189 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