Gaussian 16 GINC-PAUL27 MY119NOKO Title ES64L-G16RevC.02 24-Apr-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 38 38 193 193 1251 (5D, 7F) def2TZVPP 108 108 C1[X(C7H8B12I11)] C1[X(C7H8B12I11)] RB3LYP def2TZVPP FOpt # opt=calcfc freq=noraman b3lyp/def2tzvpp pop=npa empiricaldispersion=gd3bj scf=(maxconventionalcycles=150,xqc) 1609.75607 -1 1 AuxInfo=1/0/N:35,28,30,26,27,32,25,2,1,8,12,3,7,9,5,10,6,11,4,13,19,23,14,18,20,16,21,17,22,15/E:(2,3)(4,5)(9,10,11,12,13)(14,15,16,17,18)(20,21,22,23,24)(25,26,27,28,29)/CRV:2.3,3.3,4.3,5.3,6.3,8.6,9.6,10.6,11.6,12.6,13.6,14.6,15.6,16.6,17.6,18.6,19.6/rA:38nB6B6B6B6B6B6B6B6B6B6B6B6IIIIIIIIIIIHCC3C3C3HC3HC3HHCHHH/rB:s1;s2;;s1s4;s4s5;s2s3s6;s1s2s3;s1s4s5s8;s3s4s8s9;s3s4s6s7s10;s1s2s5s6s7;s1;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;;s2s24;s25;s25;s26;s26;s27;s27;s28s30;s28;s30;s32;s35;s35;s35;/rC:.3522,-.8947,1.4712;-1.1617,.0001,1.2204;-.7901,1.4465,.2196;1.3371,0,-1.0791;.9639,-1.4414,-.1041;-.1866,-.8869,-1.3541;-1.5087,-.0003,-.5263;.352,.8952,1.4709;1.6684,.0003,.6736;.9636,1.4415,-.1045;-.1868,.8865,-1.3543;-.7897,-1.4466,.22;.6515,-2.0353,3.3037;-1.8414,3.3641,.2824;2.9382,-.0001,-2.5389;2.0904,-3.2842,-.3047;-.5363,-2.0128,-3.176;-3.5442,-.0006,-1.3129;.6511,2.0364,3.303;3.678,.0006,1.4852;2.0896,3.2846,-.3057;-.5367,2.0117,-3.1766;-1.8406,-3.3645,.2833;-1.4621,.0006,3.3416;-2.2426,.0003,2.5756;-3.0086,1.2229,2.5335;-2.9981,-1.2224,2.5342;-4.3268,1.2104,2.2003;-2.4941,2.1463,2.741;-4.3266,-1.2206,2.1907;-2.4834,-2.1457,2.7423;-4.9923,-.0052,1.9693;-4.8651,2.1419,2.0736;-4.8545,-2.1523,2.0645;-6.423,.005,1.5421;-6.7489,-1.0167,1.1946;-7.0741,.3219,2.4215;-6.562,.7562,.7163; /software/all/Gaussian/g16.C02/bin/g16 /software/all/Gaussian/g16.C02/bin/l1.exe "/work/g16/my119noko/8783041/Gau-2139690.inp" -scrdir="/work/g16/my119noko/8783041/" Mem=187GB CPU=32-95,160-223 Chk=/home/sc.uni-leipzig.de/my119noko/g16/chk/B12I11_Toluol_2.chk # opt=calcfc freq=noraman b3lyp/def2tzvpp pop=npa empiricaldispersion= 1/10=4,18=20,19=15,26=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=-5,124=41,140=1/1,2,3 4//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 1/10=4,18=20,19=15,26=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=-5,124=41/1,2,3 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 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1,40=-1/1,7 99/9=1/99 Title 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 1 1 1 1 1 1 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 6 6 6 6 7 7 7 8 8 8 9 9 10 10 11 12 24 25 25 26 26 27 27 28 28 30 30 32 35 35 35 2 5 8 9 12 13 3 7 8 12 25 7 8 10 11 14 5 6 9 10 11 15 6 9 12 16 7 11 12 17 11 12 18 9 10 19 10 20 11 21 22 23 25 26 27 28 29 30 31 32 33 32 34 35 36 37 38 1.7764 1.7761 1.7898 1.7803 1.7816 2.1791 1.7977 1.7808 1.7764 1.7978 1.7334 1.7793 1.7816 1.7833 1.7762 2.1878 1.7797 1.7843 1.7837 1.7797 1.7843 2.1667 1.787 1.7831 1.7833 2.1692 1.7943 1.7734 1.7762 2.1701 1.7943 1.7793 2.1822 1.7802 1.7761 2.1791 1.7831 2.1673 1.787 2.1692 2.1701 2.1878 1.0936 1.4434 1.4379 1.3597 1.0773 1.3723 1.0773 1.405 1.0834 1.4033 1.0782 1.4932 1.1273 1.1391 1.1251 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 2 2 2 5 5 8 8 9 9 12 1 1 1 3 3 7 7 8 8 12 2 2 2 7 7 7 8 8 10 11 5 5 5 6 6 6 9 9 10 11 1 1 1 4 4 6 6 9 9 12 4 4 4 5 5 5 7 11 11 12 2 2 2 3 3 3 6 11 11 12 1 1 1 2 2 2 3 3 9 10 1 1 1 4 4 5 5 5 8 10 3 3 3 4 4 8 8 9 9 11 3 3 3 4 4 6 6 7 7 10 1 1 1 2 2 2 5 5 6 7 2 2 2 24 24 26 25 25 28 25 25 30 26 26 32 27 27 32 28 28 30 32 32 32 36 36 37 1 1 1 1 1 1 1 1 1 1 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 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 25 25 25 25 25 25 26 26 26 27 27 27 28 28 28 30 30 30 32 32 32 35 35 35 35 35 35 5 9 13 8 13 12 13 12 13 13 3 7 25 12 25 8 25 12 25 25 10 11 14 8 10 14 11 14 14 14 10 11 15 9 10 15 11 15 15 15 4 6 16 12 16 9 16 12 16 16 7 12 17 7 11 17 17 12 17 17 6 11 18 6 12 18 18 12 18 18 3 10 19 9 10 19 9 19 19 19 4 10 20 8 20 8 10 20 20 20 4 9 21 8 21 11 21 11 21 21 4 6 22 7 22 10 22 10 22 22 6 7 23 5 6 23 7 23 23 23 24 26 27 26 27 27 28 29 29 30 31 31 32 33 33 32 34 34 30 35 35 36 37 38 37 38 38 108.8667 108.2789 119.9606 107.9217 122.5082 108.0366 121.572 108.3595 122.5709 121.0934 107.916 107.7235 114.9045 107.1491 124.3366 107.724 130.1917 107.9154 114.8999 124.3449 107.5929 108.0518 126.1474 107.5623 108.5871 122.0482 107.884 123.9939 118.6971 117.7108 108.1762 107.9251 121.605 108.064 107.9252 121.8161 108.0641 121.6539 121.6049 121.8161 107.9896 107.6479 121.4938 107.9472 121.9012 107.9734 122.2217 108.157 121.4708 121.6664 108.2098 108.0613 121.6573 107.7576 108.0849 122.0083 121.6672 108.3723 121.2423 121.7265 108.0006 108.0001 122.365 107.3127 108.7787 121.8699 121.3945 107.3127 121.3944 121.8698 108.0363 107.9224 121.5718 108.2796 108.8666 119.9599 108.36 121.093 122.5712 122.5083 107.6286 108.0363 121.1856 107.6284 122.6949 108.0365 107.8815 121.9911 121.1854 121.9909 107.9472 108.1566 121.6665 107.9895 121.9013 107.6479 121.4936 107.9733 121.471 122.2218 108.0611 108.3723 121.7267 108.2098 121.6573 108.0848 121.2424 107.7578 121.6672 122.0082 107.8841 107.5618 123.9951 107.5923 108.051 126.1515 108.5872 118.6946 117.708 122.049 95.8895 107.9509 107.757 113.5179 113.2908 116.1396 120.9236 117.8368 121.2064 120.9855 118.1768 120.7942 120.4944 120.1647 119.3006 119.9883 120.1406 119.8511 119.9185 119.6696 120.3656 111.0377 109.1921 109.4457 108.9665 110.068 108.0723 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 5 5 5 9 9 9 13 13 13 2 2 2 8 8 8 13 13 13 5 5 5 12 12 12 13 13 13 2 2 2 12 12 12 13 13 13 8 8 8 9 9 9 13 13 13 1 1 1 12 12 12 25 25 25 1 1 1 8 8 8 25 25 25 7 7 7 12 12 12 25 25 25 3 3 3 8 8 8 25 25 25 1 1 1 3 3 3 7 7 7 8 8 8 12 12 12 8 8 8 10 10 10 14 14 14 7 7 7 11 11 11 14 14 14 2 2 2 7 7 7 14 14 14 2 2 2 8 8 8 14 14 14 10 10 10 11 11 11 15 15 15 9 9 9 10 10 10 15 15 15 6 6 6 11 11 11 15 15 15 5 5 5 6 6 6 15 15 15 5 5 5 9 9 9 15 15 15 1 1 1 9 9 9 16 16 16 6 6 6 12 12 12 16 16 16 4 4 4 9 9 9 16 16 16 4 4 4 5 5 5 17 17 17 5 5 5 12 12 12 17 17 17 4 4 4 11 11 11 17 17 17 2 2 2 12 12 12 18 18 18 3 3 3 11 11 11 18 18 18 2 2 2 3 3 3 19 19 19 1 1 1 2 2 2 19 19 19 1 1 1 5 5 5 20 20 20 8 8 8 9 9 9 21 21 21 2 2 24 24 27 27 2 2 24 24 26 26 25 25 29 29 25 25 31 31 26 26 33 33 27 27 34 34 28 28 28 30 30 30 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 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 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 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 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 25 25 25 25 25 25 25 25 25 25 25 25 26 26 26 26 27 27 27 27 28 28 28 28 30 30 30 30 32 32 32 32 32 32 2 2 2 2 2 2 2 2 2 5 5 5 5 5 5 5 5 5 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 12 12 12 12 12 12 12 12 12 3 3 3 3 3 3 3 3 3 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 12 12 12 12 12 12 12 12 12 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 6 6 6 6 6 6 6 6 6 9 9 9 9 9 9 9 9 9 12 12 12 12 12 12 12 12 12 7 7 7 7 7 7 7 7 7 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 26 26 26 26 26 26 27 27 27 27 27 27 28 28 28 28 30 30 30 30 32 32 32 32 32 32 32 32 35 35 35 35 35 35 3 7 25 3 7 25 3 7 25 4 6 16 4 6 16 4 6 16 3 10 19 3 10 19 3 10 19 4 10 20 4 10 20 4 10 20 6 7 23 6 7 23 6 7 23 10 11 14 10 11 14 10 11 14 6 11 18 6 11 18 6 11 18 9 10 19 9 10 19 9 10 19 5 6 23 5 6 23 5 6 23 24 26 27 24 26 27 24 26 27 24 26 27 24 26 27 6 12 18 6 12 18 6 12 18 1 9 19 1 9 19 1 9 19 4 9 21 4 9 21 4 9 21 4 6 22 4 6 22 4 6 22 1 12 16 1 12 16 1 12 16 7 12 17 7 12 17 7 12 17 1 8 20 1 8 20 1 8 20 3 8 21 3 8 21 3 8 21 3 7 22 3 7 22 3 7 22 7 11 17 7 11 17 7 11 17 8 10 20 8 10 20 8 10 20 2 7 23 2 7 23 2 7 23 2 3 18 2 3 18 2 3 18 3 10 22 3 10 22 3 10 22 1 2 23 1 2 23 1 2 23 4 10 22 4 10 22 4 10 22 1 5 23 1 5 23 1 5 23 4 5 20 4 5 20 4 5 20 4 11 21 4 11 21 4 11 21 3 11 21 3 11 21 3 11 21 6 7 22 6 7 22 6 7 22 28 29 28 29 28 29 30 31 30 31 30 31 32 33 32 33 32 34 32 34 30 35 30 35 28 35 28 35 36 37 38 36 37 38 -62.4262 0.5387 154.0913 1.437 64.4019 -142.0455 149.0875 -147.9476 5.605 63.1567 -0.2417 -148.5728 -0.1619 -63.5602 148.1087 -149.3224 147.2792 -1.0519 63.6065 0.0004 -149.5086 0.0009 -63.6052 146.8858 -146.8855 149.5084 -0.0006 -64.3388 -1.1171 146.9173 -0.0226 63.199 -148.7666 149.0347 -147.7436 0.2908 63.0385 -0.9452 -153.1669 -0.2844 -64.2681 143.5102 -149.8858 146.1306 -6.0911 -1.2076 62.4444 -150.017 -64.233 -0.581 146.9576 137.976 -158.372 -10.8334 -0.6251 -63.2381 148.069 63.2364 0.6234 -148.0695 -148.6992 148.6878 -0.0051 -64.4008 -0.537 147.9481 -1.4366 62.4272 -149.0876 142.0533 -154.0829 -5.5977 64.2331 0.5812 -146.9571 1.2072 -62.4447 150.0171 -137.9783 158.3699 10.8316 33.7419 150.8133 -83.0284 -102.9671 14.1043 140.2626 -179.994 -62.9226 63.2358 -33.7387 83.3327 -150.509 102.9741 -139.9546 -13.7962 -64.5563 -1.5422 148.6921 -1.3541 61.66 -148.1057 142.5683 -154.4176 -4.1833 0.9438 64.2672 -146.1306 -63.0397 0.2837 149.8859 153.1622 -143.5144 6.0879 64.0684 0.5206 -147.4535 0.9121 -62.6358 149.3901 -144.4052 152.0469 4.0728 -63.3753 0.3633 148.3437 -0.4813 63.2573 -148.7623 145.9364 -150.3249 -2.3445 0.2622 63.7595 -147.8523 -63.3916 0.1057 148.4939 148.4373 -148.0654 0.3228 62.7532 -0.4973 -148.8047 -0.7324 -63.9829 147.7097 -148.8222 147.9273 -0.3801 0.32 -63.3481 148.4863 63.3476 -0.3206 -148.4862 -148.1661 148.1657 0.0001 -63.7591 -0.2619 147.8523 -0.1052 63.3919 -148.4938 148.0658 -148.4371 -0.3229 63.9827 0.7323 -147.7099 0.4974 -62.753 148.8048 -147.9273 148.8223 0.3801 -0.1469 63.6665 -148.3866 -63.5324 0.281 148.228 147.9036 -148.283 -0.336 62.7415 -0.4542 -149.5347 -0.3615 -63.5572 147.3623 -148.411 148.3933 -0.6871 -64.0683 -0.9128 144.4026 -0.5202 62.6352 -152.0494 147.4542 -149.3904 -4.075 -62.7128 1.2858 148.2286 0.4784 64.477 -148.5801 148.8488 -147.1526 -0.2097 -63.5943 0.0004 148.2404 0.0003 63.595 -148.1649 148.1651 -148.2403 -0.0002 0.4818 63.3751 -145.9344 -63.2572 -0.3639 150.3266 148.7628 -148.3438 2.3466 62.7138 -0.4773 -148.8479 -1.2861 -64.4772 147.1523 -148.2287 148.5802 0.2096 1.5427 -61.6596 154.4215 64.5571 1.3547 -142.5642 -148.6916 148.106 4.1872 64.3387 1.1169 -146.918 0.0235 -63.1983 148.7668 -149.0346 147.7436 -0.2913 0.1612 63.5597 -148.1092 -63.1579 0.2406 148.5717 149.3227 -147.2788 1.0523 0.3614 -62.7415 148.4106 63.5574 0.4544 -148.3935 -147.3621 149.535 0.687 -63.6668 0.1469 148.3867 -0.2816 63.5321 -148.2281 148.2828 -147.9035 0.3363 108.1708 -69.759 -146.841 35.2292 -12.9004 169.1699 -107.8967 69.7204 147.3204 -35.0625 13.2779 -169.105 3.9311 -173.7453 -178.2093 4.1143 -4.6993 173.6738 177.7459 -3.8809 5.3217 -177.1447 -176.982 0.5516 -4.9293 177.5545 176.6928 -0.8234 168.2759 -71.5521 46.5624 -14.2017 105.9703 -135.9151 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 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 1453 A 1251 A 2304 1453 8007.2521230981 38 1.00e+00 60 F Berny optimization. local minimum Step number 8 out of a maximum of 228 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00071 0.00514 0.00806 0.01075 0.01167 0.01219 0.01237 0.01241 0.01306 0.01410 0.01447 0.01475 0.01516 0.01529 0.01583 0.01588 0.01602 0.01759 0.01808 0.02029 0.02068 0.02096 0.02137 0.02159 0.02166 0.02181 0.02214 0.02231 0.02244 0.02285 0.02293 0.02346 0.02348 0.02430 0.02500 0.02532 0.02580 0.02653 0.02697 0.02805 0.02915 0.03028 0.03067 0.03465 0.03510 0.03541 0.03605 0.03606 0.03636 0.03670 0.03789 0.03879 0.04045 0.04680 0.05268 0.05557 0.06186 0.06626 0.06773 0.06866 0.06891 0.06942 0.07827 0.08188 0.08576 0.08619 0.08879 0.09406 0.10959 0.11310 0.11750 0.11774 0.12304 0.12702 0.12995 0.13017 0.13271 0.13633 0.13659 0.13758 0.13900 0.13992 0.14039 0.14050 0.14081 0.14142 0.14223 0.14313 0.17376 0.19605 0.19606 0.22949 0.26054 0.27507 0.28600 0.30652 0.31948 0.32097 0.34958 0.35493 0.36529 0.37114 0.37283 0.39192 0.40214 0.42871 0.44762 0.53638 -3.88203189e-10 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 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 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 3.35712 3.35585 3.38102 3.36374 3.36654 4.11829 3.39622 3.36312 3.35712 3.39622 3.27130 3.36146 3.36654 3.36975 3.35645 4.13396 3.36349 3.37221 3.37050 3.36349 3.37220 4.09445 3.37748 3.36983 3.36975 4.09892 3.39051 3.35173 3.35645 4.10060 3.39051 3.36146 4.12195 3.36374 3.35585 4.11829 3.36984 4.09549 3.37748 4.09892 4.10060 4.13396 2.06815 2.72209 2.72209 2.58215 2.03561 2.58214 2.03561 2.65348 2.04243 2.65348 2.04243 2.81652 2.05779 2.05781 2.06855 1.89991 1.89007 2.09279 1.88394 2.13879 1.88567 2.12141 1.89146 2.13991 2.11309 1.88329 1.88026 2.00865 1.87051 2.16914 1.88026 2.26839 1.88329 2.00865 2.16914 1.87816 1.88587 2.20022 1.87710 1.89534 2.12919 1.88299 2.16449 2.07306 2.05503 1.88816 1.88378 2.12238 1.88634 1.88378 2.12589 1.88634 2.12318 2.12238 2.12589 1.88436 1.87877 2.12044 1.88380 2.12806 1.88446 2.13317 1.88764 2.12023 2.12331 1.88817 1.88567 2.12338 1.88029 1.88643 2.12922 2.12413 1.89124 2.11629 2.12471 1.88549 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0.00001 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00005 -0.00000 -0.00005 -0.00000 0.00005 0.00001 0.00006 -0.00018 -0.00023 -0.00022 -0.00023 -0.00028 -0.00027 3.35712 3.35585 3.38102 3.36374 3.36654 4.11829 3.39622 3.36312 3.35712 3.39622 3.27130 3.36146 3.36654 3.36975 3.35645 4.13396 3.36349 3.37221 3.37050 3.36349 3.37220 4.09445 3.37748 3.36984 3.36975 4.09892 3.39051 3.35173 3.35645 4.10060 3.39051 3.36146 4.12195 3.36374 3.35585 4.11829 3.36984 4.09549 3.37748 4.09892 4.10060 4.13396 2.06815 2.72209 2.72209 2.58215 2.03561 2.58215 2.03561 2.65348 2.04243 2.65348 2.04243 2.81653 2.05780 2.05780 2.06854 1.89991 1.89007 2.09279 1.88394 2.13878 1.88567 2.12141 1.89146 2.13991 2.11309 1.88329 1.88026 2.00865 1.87051 2.16914 1.88026 2.26839 1.88329 2.00865 2.16914 1.87816 1.88587 2.20022 1.87710 1.89534 2.12920 1.88299 2.16449 2.07306 2.05503 1.88816 1.88378 2.12238 1.88634 1.88378 2.12589 1.88634 2.12318 2.12238 2.12589 1.88436 1.87877 2.12044 1.88380 2.12806 1.88446 2.13317 1.88764 2.12023 2.12331 1.88817 1.88567 2.12338 1.88029 1.88643 2.12922 2.12412 1.89124 2.11629 2.12471 1.88549 1.88549 2.13360 1.87337 1.89882 2.12636 2.11986 1.87337 2.11986 2.12635 1.88567 1.88394 2.12141 1.89007 1.89991 2.09279 1.89146 2.11309 2.13991 2.13878 1.87828 1.88530 2.11516 1.87828 2.14165 1.88530 1.88297 2.12922 2.11516 2.12921 1.88380 1.88764 2.12331 1.88436 2.12806 1.87877 2.12044 1.88446 2.12024 2.13317 1.88567 1.89124 2.12471 1.88817 2.12338 1.88643 2.11629 1.88029 2.12412 2.12923 1.88299 1.87710 2.16449 1.87816 1.88587 2.20022 1.89534 2.07306 2.05503 2.12920 1.66592 1.89070 1.89069 1.97499 1.97499 2.02734 2.11248 2.05909 2.11132 2.11248 2.05909 2.11132 2.09914 2.09696 2.08696 2.09914 2.09696 2.08696 2.09290 2.09512 2.09511 1.95306 1.95306 1.88214 1.91540 1.87841 1.87841 -1.09040 0.00879 2.68656 0.02453 1.12371 -2.48170 2.60174 -2.58226 0.09551 1.10267 -0.00373 -2.59248 -0.00278 -1.10918 2.58525 -2.60692 2.56986 -0.01889 1.11023 0.00000 -2.61058 0.00000 -1.11023 2.56238 -2.56238 2.61058 0.00000 -1.12242 -0.01900 2.56446 -0.00021 1.10320 -2.59652 2.60203 -2.57774 0.00572 1.10042 -0.01637 -2.67123 -0.00499 -1.12178 2.50654 -2.61709 2.54931 -0.10556 -0.02068 1.09055 -2.61890 -1.12081 -0.00959 2.56415 2.41268 -2.75928 -0.18555 -0.01041 -1.10366 2.58456 1.10366 0.01041 -2.58456 -2.59497 2.59497 -0.00000 -1.12371 -0.00879 2.58225 -0.02453 1.09040 -2.60174 2.48170 -2.68656 -0.09551 1.12081 0.00959 -2.56415 0.02067 -1.09055 2.61890 -2.41268 2.75928 0.18555 0.58957 2.62466 -1.44551 -1.79952 0.23557 2.44858 3.14159 -1.10651 1.10650 -0.58958 1.44550 -2.62467 1.79951 -2.44860 -0.23558 -1.12687 -0.02673 2.59322 -0.02387 1.07626 -2.58697 2.48950 -2.69355 -0.07360 0.01637 1.12178 -2.54931 -1.10042 0.00499 2.61709 2.67123 -2.50655 0.10555 1.11785 0.00899 -2.57362 0.01591 -1.09295 2.60763 -2.52079 2.65354 0.07093 -1.10631 0.00600 2.58909 -0.00826 1.10404 -2.59605 2.54880 -2.62209 -0.03899 0.00451 1.11267 -2.58060 -1.10658 0.00159 2.59150 2.59076 -2.58426 0.00566 1.09506 -0.00842 -2.59672 -0.01317 -1.11665 2.57824 -2.59766 2.58204 -0.00626 0.00532 -1.10552 2.59149 1.10552 -0.00532 -2.59149 -2.58617 2.58617 0.00000 -1.11267 -0.00451 2.58060 -0.00159 1.10658 -2.59150 2.58426 -2.59076 -0.00565 1.11665 0.01317 -2.57824 0.00842 -1.09506 2.59672 -2.58204 2.59766 0.00626 -0.00273 1.11081 -2.59016 -1.10886 0.00469 2.58690 2.58111 -2.58853 -0.00632 1.09523 -0.00757 -2.60993 -0.00607 -1.10887 2.57196 -2.58986 2.59053 -0.01183 -1.11785 -0.01591 2.52079 -0.00899 1.09295 -2.65353 2.57362 -2.60763 -0.07093 -1.09453 0.02282 2.58853 0.00814 1.12550 -2.59198 2.59753 -2.56830 -0.00260 -1.10971 -0.00000 2.58717 -0.00000 1.10971 -2.58630 2.58630 -2.58717 0.00000 0.00826 1.10631 -2.54879 -1.10404 -0.00600 2.62209 2.59605 -2.58909 0.03900 1.09453 -0.00814 -2.59753 -0.02282 -1.12550 2.56830 -2.58853 2.59198 0.00260 0.02673 -1.07626 2.69356 1.12687 0.02387 -2.48950 -2.59322 2.58697 0.07360 1.12242 0.01900 -2.56446 0.00021 -1.10320 2.59652 -2.60203 2.57774 -0.00572 0.00278 1.10918 -2.58525 -1.10267 0.00373 2.59248 2.60692 -2.56986 0.01889 0.00607 -1.09523 2.58986 1.10887 0.00757 -2.59053 -2.57196 2.60993 0.01183 -1.11081 0.00273 2.59016 -0.00469 1.10886 -2.58690 2.58853 -2.58111 0.00632 1.91869 -1.19730 -2.54047 0.62673 -0.21281 2.95439 -1.91869 1.19729 2.54047 -0.62673 0.21281 -2.95439 0.07438 -3.04981 -3.09359 0.06541 -0.07438 3.04981 3.09359 -0.06541 0.07502 -3.05537 -3.08387 0.06891 -0.07502 3.05537 3.08387 -0.06891 -2.65540 -0.49737 1.56520 0.49740 2.65543 -1.56518 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000005 0.000000 0.000457 0.000037 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -4.909096e-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 1 1 1 1 1 1 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 6 6 6 6 7 7 7 8 8 8 9 9 10 10 11 12 24 25 25 26 26 27 27 28 28 30 30 32 35 35 35 2 5 8 9 12 13 3 7 8 12 25 7 8 10 11 14 5 6 9 10 11 15 6 9 12 16 7 11 12 17 11 12 18 9 10 19 10 20 11 21 22 23 25 26 27 28 29 30 31 32 33 32 34 35 36 37 38 1.7765 1.7758 1.7892 1.78 1.7815 2.1793 1.7972 1.7797 1.7765 1.7972 1.7311 1.7788 1.7815 1.7832 1.7762 2.1876 1.7799 1.7845 1.7836 1.7799 1.7845 2.1667 1.7873 1.7832 1.7832 2.1691 1.7942 1.7737 1.7762 2.1699 1.7942 1.7788 2.1812 1.78 1.7758 2.1793 1.7832 2.1672 1.7873 2.1691 2.1699 2.1876 1.0944 1.4405 1.4405 1.3664 1.0772 1.3664 1.0772 1.4042 1.0808 1.4042 1.0808 1.4904 1.0889 1.0889 1.0946 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 2 5 5 8 8 9 9 12 1 1 1 3 3 7 7 8 8 12 2 2 2 7 7 7 8 8 10 11 5 5 5 6 6 6 9 9 10 11 1 1 1 4 4 6 6 9 9 12 4 4 4 5 5 5 7 11 11 12 2 2 2 3 3 3 6 11 11 12 1 1 1 2 2 2 3 3 9 10 1 1 1 4 4 5 5 5 8 10 3 3 3 4 4 8 8 9 9 11 3 3 3 4 4 6 6 7 7 10 1 1 1 2 2 2 5 5 6 7 2 2 2 24 24 26 25 25 28 25 25 30 26 26 32 27 27 32 28 28 30 32 32 32 36 36 37 1 1 1 1 1 1 1 1 1 1 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 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 25 25 25 25 25 25 26 26 26 27 27 27 28 28 28 30 30 30 32 32 32 35 35 35 35 35 35 5 9 13 8 13 12 13 12 13 13 3 7 25 12 25 8 25 12 25 25 10 11 14 8 10 14 11 14 14 14 10 11 15 9 10 15 11 15 15 15 4 6 16 12 16 9 16 12 16 16 7 12 17 7 11 17 17 12 17 17 6 11 18 6 12 18 18 12 18 18 3 10 19 9 10 19 9 19 19 19 4 10 20 8 20 8 10 20 20 20 4 9 21 8 21 11 21 11 21 21 4 6 22 7 22 10 22 10 22 22 6 7 23 5 6 23 7 23 23 23 24 26 27 26 27 27 28 29 29 30 31 31 32 33 33 32 34 34 30 35 35 36 37 38 37 38 38 108.857 108.2932 119.9082 107.9419 122.5434 108.0408 121.5478 108.3725 122.6076 121.0714 107.9046 107.7308 115.0873 107.1723 124.2827 107.7309 129.9692 107.9046 115.0872 124.2828 107.6108 108.0522 126.063 107.5501 108.5948 121.9939 107.8873 124.0162 118.7776 117.7446 108.1838 107.9328 121.6032 108.0794 107.9328 121.8045 108.0794 121.6492 121.6031 121.8044 107.9659 107.6457 121.4922 107.9336 121.9289 107.9716 122.2216 108.1536 121.4804 121.6569 108.1843 108.0408 121.6606 107.7326 108.0843 121.9956 121.7034 108.3602 121.2546 121.7367 108.0306 108.0306 122.2461 107.336 108.7943 121.8313 121.4592 107.3361 121.4593 121.831 108.0407 107.9419 121.548 108.2932 108.857 119.9084 108.3725 121.0713 122.6075 122.5431 107.6177 108.0195 121.1898 107.6177 122.7076 108.0195 107.8863 121.9951 121.1897 121.995 107.9336 108.1536 121.6568 107.9659 121.929 107.6457 121.4922 107.9716 121.4806 122.2215 108.0407 108.3601 121.7368 108.1843 121.6607 108.0843 121.2545 107.7326 121.7033 121.9957 107.8873 107.5501 124.016 107.6107 108.0521 126.0634 108.5947 118.7772 117.7446 121.9942 95.4504 108.3292 108.329 113.1584 113.1584 116.158 121.0365 117.9769 120.97 121.0366 117.977 120.9698 120.2721 120.1467 119.5738 120.272 120.1467 119.5738 119.9142 120.0418 120.0408 111.9026 111.9033 107.8363 109.7453 107.6243 107.6245 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 5 5 5 9 9 9 13 13 13 2 2 2 8 8 8 13 13 13 5 5 5 12 12 12 13 13 13 2 2 2 12 12 12 13 13 13 8 8 8 9 9 9 13 13 13 1 1 1 12 12 12 25 25 25 1 1 1 8 8 8 25 25 25 7 7 7 12 12 12 25 25 25 3 3 3 8 8 8 25 25 25 1 1 1 3 3 3 7 7 7 8 8 8 12 12 12 8 8 8 10 10 10 14 14 14 7 7 7 11 11 11 14 14 14 2 2 2 7 7 7 14 14 14 2 2 2 8 8 8 14 14 14 10 10 10 11 11 11 15 15 15 9 9 9 10 10 10 15 15 15 6 6 6 11 11 11 15 15 15 5 5 5 6 6 6 15 15 15 5 5 5 9 9 9 15 15 15 1 1 1 9 9 9 16 16 16 6 6 6 12 12 12 16 16 16 4 4 4 9 9 9 16 16 16 4 4 4 5 5 5 17 17 17 5 5 5 12 12 12 17 17 17 4 4 4 11 11 11 17 17 17 2 2 2 12 12 12 18 18 18 3 3 3 11 11 11 18 18 18 2 2 2 3 3 3 19 19 19 1 1 1 2 2 2 19 19 19 1 1 1 5 5 5 20 20 20 8 8 8 9 9 9 21 21 21 2 2 24 24 27 27 2 2 24 24 26 26 25 25 29 29 25 25 31 31 26 26 33 33 27 27 34 34 28 28 28 30 30 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 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 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 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 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 25 25 25 25 25 25 25 25 25 25 25 25 26 26 26 26 27 27 27 27 28 28 28 28 30 30 30 30 32 32 32 32 32 2 2 2 2 2 2 2 2 2 5 5 5 5 5 5 5 5 5 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 12 12 12 12 12 12 12 12 12 3 3 3 3 3 3 3 3 3 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 12 12 12 12 12 12 12 12 12 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 6 6 6 6 6 6 6 6 6 9 9 9 9 9 9 9 9 9 12 12 12 12 12 12 12 12 12 7 7 7 7 7 7 7 7 7 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 26 26 26 26 26 26 27 27 27 27 27 27 28 28 28 28 30 30 30 30 32 32 32 32 32 32 32 32 35 35 35 35 35 3 7 25 3 7 25 3 7 25 4 6 16 4 6 16 4 6 16 3 10 19 3 10 19 3 10 19 4 10 20 4 10 20 4 10 20 6 7 23 6 7 23 6 7 23 10 11 14 10 11 14 10 11 14 6 11 18 6 11 18 6 11 18 9 10 19 9 10 19 9 10 19 5 6 23 5 6 23 5 6 23 24 26 27 24 26 27 24 26 27 24 26 27 24 26 27 6 12 18 6 12 18 6 12 18 1 9 19 1 9 19 1 9 19 4 9 21 4 9 21 4 9 21 4 6 22 4 6 22 4 6 22 1 12 16 1 12 16 1 12 16 7 12 17 7 12 17 7 12 17 1 8 20 1 8 20 1 8 20 3 8 21 3 8 21 3 8 21 3 7 22 3 7 22 3 7 22 7 11 17 7 11 17 7 11 17 8 10 20 8 10 20 8 10 20 2 7 23 2 7 23 2 7 23 2 3 18 2 3 18 2 3 18 3 10 22 3 10 22 3 10 22 1 2 23 1 2 23 1 2 23 4 10 22 4 10 22 4 10 22 1 5 23 1 5 23 1 5 23 4 5 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-13.4986 -64.5647 -1.5317 148.5806 -1.3677 61.6653 -148.2224 142.6378 -154.3292 -4.2169 0.9377 64.273 -146.0649 -63.0495 0.2858 149.948 153.0501 -143.6146 6.0475 64.048 0.5152 -147.4574 0.9116 -62.6213 149.4061 -144.4308 152.0364 4.0637 -63.3869 0.3435 148.3437 -0.4735 63.2569 -148.7429 146.0353 -150.2343 -2.2341 0.2583 63.7515 -147.8575 -63.4022 0.091 148.482 148.4399 -148.067 0.3241 62.7423 -0.4827 -148.781 -0.7545 -63.9796 147.7221 -148.8352 147.9398 -0.3585 0.3047 -63.3418 148.4815 63.3418 -0.3047 -148.4814 -148.1768 148.1767 0.0001 -63.7514 -0.2583 147.8576 -0.091 63.4022 -148.4819 148.067 -148.4399 -0.3239 63.9795 0.7545 -147.722 0.4827 -62.7423 148.7812 -147.9398 148.8352 0.3586 -0.1565 63.6449 -148.4054 -63.5328 0.2686 148.2183 147.8868 -148.3118 -0.362 62.7521 -0.4338 -149.5377 -0.3476 -63.5334 147.3626 -148.3878 148.4263 -0.6776 -64.048 -0.9116 144.4308 -0.5151 62.6213 -152.0363 147.4574 -149.4062 -4.0638 -62.7119 1.3077 148.3118 0.4667 64.4863 -148.5096 148.8276 -147.1527 -0.1487 -63.5819 0.0 148.234 0.0 63.5819 -148.1841 148.1843 -148.2339 0.0001 0.4736 63.3869 -146.0349 -63.2568 -0.3435 150.2347 148.7429 -148.3438 2.2344 62.712 -0.4666 -148.8276 -1.3077 -64.4863 147.1527 -148.3115 148.5099 0.1488 1.5317 -61.6653 154.3295 64.5647 1.3677 -142.6376 -148.5807 148.2223 4.2171 64.3099 1.0887 -146.9326 0.0123 -63.2088 148.7698 -149.0852 147.6937 -0.3276 0.1592 63.5515 -148.1241 -63.1786 0.2137 148.5381 149.3656 -147.2421 1.0823 0.3475 -62.7521 148.3878 63.5334 0.4338 -148.4263 -147.3627 149.5378 0.6776 -63.6448 0.1565 148.4054 -0.2686 63.5327 -148.2184 148.3119 -147.8868 0.3621 109.9338 -68.5997 -145.557 35.9094 -12.1927 169.2737 -109.9337 68.5993 145.5573 -35.9098 12.193 -169.2741 4.2612 -174.7419 -177.2492 3.7477 -4.2616 174.7418 177.2494 -3.7472 4.2984 -175.0572 -176.6928 3.9516 -4.2982 175.0574 176.6926 -3.9518 -152.1329 -28.4841 89.6919 28.5123 152.1611 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 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1.080809 2.464302 3.406972 4.949901 2.153565 0.000000 5.419799 4.388912 5.770413 7.319350 6.296348 5.981175 4.800780 6.087447 7.043625 7.212831 6.587160 4.569098 5.651944 6.556365 9.356986 7.469777 6.861363 4.271141 7.029926 8.846020 9.165649 8.022686 3.756485 4.208861 3.424450 3.875453 2.125702 3.406972 4.949903 1.080809 2.464297 2.153567 4.294201 0.000000 6.852215 5.291943 5.993801 8.226103 7.733251 6.973344 5.371099 6.852192 8.161504 7.733217 6.973321 5.993845 7.569689 5.845045 10.251478 9.336654 7.857154 4.105296 7.569646 10.118704 9.336587 7.857104 5.845166 5.269461 4.303327 3.761888 3.761878 2.507696 4.636844 2.507683 4.636829 1.490440 2.707567 2.707547 0.000000 7.335320 5.917973 6.825483 8.881306 8.209262 7.538800 6.056333 7.549376 8.774158 8.516251 7.745454 6.437085 7.823021 6.861611 10.907709 9.633431 8.294381 4.802283 8.273270 10.692895 10.222653 8.715797 5.925126 5.748093 4.845604 4.528535 4.019018 3.380474 5.469381 2.664185 4.719189 2.148962 3.691851 2.445748 1.088934 0.000000 7.549324 5.917860 6.436817 8.881092 8.516150 7.745269 6.056118 7.335164 8.774015 8.209009 7.538510 6.825411 8.273357 5.924709 10.907463 10.222628 8.715614 4.802004 7.822905 10.692782 9.633106 8.293977 6.861698 5.748136 4.845603 4.018971 4.528602 2.664112 4.719117 3.380566 5.469477 2.148980 2.445592 3.691991 1.088947 1.781235 0.000000 6.933926 5.341716 5.854800 7.952693 7.582948 6.599438 5.054279 6.933967 8.126102 7.583007 6.599479 5.854724 7.902444 5.711927 9.875442 9.190600 7.256739 3.431202 7.902529 10.180970 9.190706 7.256821 5.711763 5.736884 4.686842 4.184370 4.184206 2.990644 5.030717 2.990417 5.030477 2.102157 3.121797 3.121414 1.094629 1.762325 1.762338 0.000000 C7H8B12I11(1-) 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 1609.75607 AuxInfo=1/0/N:35,28,30,26,27,32,25,2,1,8,12,3,7,9,5,10,6,11,4,13,19,23,14,18,20,16,21,17,22,15/E:(2,3)(4,5)(9,10,11,12,13)(14,15,16,17,18)(20,21,22,23,24)(25,26,27,28,29)/CRV:2.3,3.3,4.3,5.3,6.3,8.6,9.6,10.6,11.6,12.6,13.6,14.6,15.6,16.6,17.6,18.6,19.6/rA:38nB6B6B6B6B6B6B6B6B6B6B6B6IIIIIIIIIIIHCC3C3C3HC3HC3HHCHHH/rB:s1;s2;;s1s4;s4s5;s2s3s6;s1s2s3;s1s4s5s8;s3s4s8s9;s3s4s6s7s10;s1s2s5s6s7;s1;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;;s2s24;s25;s25;s26;s26;s27;s27;s28s30;s28;s30;s32;s35;s35;s35;/rC:-.3305,.8945,1.4734;1.1795,0,1.1983;.7917,-1.4463,.2044;-1.3556,0,-1.0604;-.9668,1.4416,-.0916;.1636,.8869,-1.36;1.4982,.0001,-.5527;-.3305,-.8946,1.4734;-1.6592,-.0001,.6971;-.9668,-1.4416,-.0917;.1637,-.8868,-1.36;.7916,1.4463,.2045;-.5986,2.0347,3.3112;1.8466,-3.3621,.252;-2.9796,0,-2.4947;-2.0955,3.2849,-.2741;.484,2.0128,-3.1871;3.5215,.0001,-1.3674;-.5985,-2.0349,3.3111;-3.6556,-.0001,1.5407;-2.0953,-3.285,-.2743;.4841,-2.0126,-3.1872;1.8464,3.3622,.2522;1.514,0,3.306;2.2857,0,2.5298;3.0461,-1.2227,2.487;3.0461,1.2226,2.4871;4.3739,-1.2155,2.1646;2.5307,-2.1458,2.6934;4.3739,1.2155,2.1647;2.5307,2.1458,2.6934;5.0449,0,1.9549;4.9106,-2.1471,2.0537;4.9105,2.1471,2.0537;6.463,0,1.4964;6.9964,.8905,1.8256;6.9963,-.8907,1.8251;6.4615,.0003,.4017; 0.0333457 0.0321873 0.0308997 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=11111111111111111111111111111111111111 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 117 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 0. 114 vectors produced by pass 0 Test12= 2.04D-13 1.00D-09 XBig12= 1.27D-01 1.50D-01. AX will form 57 AO Fock derivatives at one time. 111 vectors produced by pass 1 Test12= 2.04D-13 1.00D-09 XBig12= 2.00D-02 2.67D-02. 111 vectors produced by pass 2 Test12= 2.04D-13 1.00D-09 XBig12= 4.52D-04 2.48D-03. 111 vectors produced by pass 3 Test12= 2.04D-13 1.00D-09 XBig12= 1.25D-05 3.93D-04. 111 vectors produced by pass 4 Test12= 2.04D-13 1.00D-09 XBig12= 1.29D-07 4.08D-05. 111 vectors produced by pass 5 Test12= 2.04D-13 1.00D-09 XBig12= 9.31D-10 3.03D-06. 99 vectors produced by pass 6 Test12= 2.04D-13 1.00D-09 XBig12= 4.99D-12 2.35D-07. 66 vectors produced by pass 7 Test12= 2.04D-13 1.00D-09 XBig12= 2.06D-14 1.22D-08. 23 vectors produced by pass 8 Test12= 2.04D-13 1.00D-09 XBig12= 3.03D-15 3.99D-09. 19 vectors produced by pass 9 Test12= 2.04D-13 1.00D-09 XBig12= 5.85D-15 3.32D-09. 19 vectors produced by pass 10 Test12= 2.04D-13 1.00D-09 XBig12= 3.41D-13 3.05D-08. 19 vectors produced by pass 11 Test12= 2.04D-13 1.00D-09 XBig12= 8.52D-14 1.36D-08. 19 vectors produced by pass 12 Test12= 2.04D-13 1.00D-09 XBig12= 2.60D-13 2.23D-08. 19 vectors produced by pass 13 Test12= 2.04D-13 1.00D-09 XBig12= 5.60D-14 7.01D-09. 19 vectors produced by pass 14 Test12= 2.04D-13 1.00D-09 XBig12= 9.28D-14 9.88D-09. 18 vectors produced by pass 15 Test12= 2.04D-13 1.00D-09 XBig12= 7.29D-14 9.70D-09. 17 vectors produced by pass 16 Test12= 2.04D-13 1.00D-09 XBig12= 4.33D-14 6.30D-09. 16 vectors produced by pass 17 Test12= 2.04D-13 1.00D-09 XBig12= 4.85D-14 8.54D-09. 16 vectors produced by pass 18 Test12= 2.04D-13 1.00D-09 XBig12= 6.87D-14 1.02D-08. 16 vectors produced by pass 19 Test12= 2.04D-13 1.00D-09 XBig12= 6.90D-14 1.25D-08. 15 vectors produced by pass 20 Test12= 2.04D-13 1.00D-09 XBig12= 3.85D-14 6.81D-09. 14 vectors produced by pass 21 Test12= 2.04D-13 1.00D-09 XBig12= 5.86D-14 9.28D-09. 14 vectors produced by pass 22 Test12= 2.04D-13 1.00D-09 XBig12= 4.58D-14 7.11D-09. 14 vectors produced by pass 23 Test12= 2.04D-13 1.00D-09 XBig12= 4.66D-14 9.06D-09. 14 vectors produced by pass 24 Test12= 2.04D-13 1.00D-09 XBig12= 4.81D-14 7.48D-09. 14 vectors produced by pass 25 Test12= 2.04D-13 1.00D-09 XBig12= 5.09D-14 6.59D-09. 10 vectors produced by pass 26 Test12= 2.04D-13 1.00D-09 XBig12= 2.87D-14 5.08D-09. 10 vectors produced by pass 27 Test12= 2.04D-13 1.00D-09 XBig12= 9.12D-14 9.79D-09. 10 vectors produced by pass 28 Test12= 2.04D-13 1.00D-09 XBig12= 1.97D-13 1.58D-08. 10 vectors produced by pass 29 Test12= 2.04D-13 1.00D-09 XBig12= 2.46D-13 1.59D-08. 10 vectors produced by pass 30 Test12= 2.04D-13 1.00D-09 XBig12= 2.89D-13 1.96D-08. 10 vectors produced by pass 31 Test12= 2.04D-13 1.00D-09 XBig12= 1.99D-13 1.45D-08. 10 vectors produced by pass 32 Test12= 2.04D-13 1.00D-09 XBig12= 1.79D-13 1.17D-08. 9 vectors produced by pass 33 Test12= 2.04D-13 1.00D-09 XBig12= 1.60D-13 1.15D-08. 9 vectors produced by pass 34 Test12= 2.04D-13 1.00D-09 XBig12= 1.28D-13 1.15D-08. 8 vectors produced by pass 35 Test12= 2.04D-13 1.00D-09 XBig12= 1.26D-13 1.25D-08. 8 vectors produced by pass 36 Test12= 2.04D-13 1.00D-09 XBig12= 1.43D-13 1.09D-08. 8 vectors produced by pass 37 Test12= 2.04D-13 1.00D-09 XBig12= 1.19D-13 1.04D-08. 6 vectors produced by pass 38 Test12= 2.04D-13 1.00D-09 XBig12= 6.42D-14 7.59D-09. 6 vectors produced by pass 39 Test12= 2.04D-13 1.00D-09 XBig12= 1.43D-13 1.63D-08. 6 vectors produced by pass 40 Test12= 2.04D-13 1.00D-09 XBig12= 1.58D-13 1.12D-08. 6 vectors produced by pass 41 Test12= 2.04D-13 1.00D-09 XBig12= 1.24D-13 9.97D-09. 6 vectors produced by pass 42 Test12= 2.04D-13 1.00D-09 XBig12= 1.11D-13 1.01D-08. 6 vectors produced by pass 43 Test12= 2.04D-13 1.00D-09 XBig12= 1.03D-13 9.44D-09. 6 vectors produced by pass 44 Test12= 2.04D-13 1.00D-09 XBig12= 1.41D-13 1.23D-08. 4 vectors produced by pass 45 Test12= 2.04D-13 1.00D-09 XBig12= 5.58D-14 7.23D-09. 4 vectors produced by pass 46 Test12= 2.04D-13 1.00D-09 XBig12= 2.11D-13 1.46D-08. 4 vectors produced by pass 47 Test12= 2.04D-13 1.00D-09 XBig12= 9.77D-14 8.62D-09. 4 vectors produced by pass 48 Test12= 2.04D-13 1.00D-09 XBig12= 1.39D-13 1.17D-08. 4 vectors produced by pass 49 Test12= 2.04D-13 1.00D-09 XBig12= 5.41D-14 7.00D-09. 4 vectors produced by pass 50 Test12= 2.04D-13 1.00D-09 XBig12= 1.18D-13 1.12D-08. 4 vectors produced by pass 51 Test12= 2.04D-13 1.00D-09 XBig12= 1.67D-13 1.13D-08. 4 vectors produced by pass 52 Test12= 2.04D-13 1.00D-09 XBig12= 9.81D-14 1.06D-08. 4 vectors produced by pass 53 Test12= 2.04D-13 1.00D-09 XBig12= 1.10D-13 9.98D-09. 4 vectors produced by pass 54 Test12= 2.04D-13 1.00D-09 XBig12= 1.77D-13 1.11D-08. 4 vectors produced by pass 55 Test12= 2.04D-13 1.00D-09 XBig12= 8.33D-14 8.73D-09. 4 vectors produced by pass 56 Test12= 2.04D-13 1.00D-09 XBig12= 1.57D-13 1.27D-08. 4 vectors produced by pass 57 Test12= 2.04D-13 1.00D-09 XBig12= 7.03D-14 7.60D-09. 4 vectors produced by pass 58 Test12= 2.04D-13 1.00D-09 XBig12= 1.49D-13 1.20D-08. 4 vectors produced by pass 59 Test12= 2.04D-13 1.00D-09 XBig12= 1.04D-13 1.10D-08. 4 vectors produced by pass 60 Test12= 2.04D-13 1.00D-09 XBig12= 1.79D-13 1.16D-08. 4 vectors produced by pass 61 Test12= 2.04D-13 1.00D-09 XBig12= 4.73D-14 5.63D-09. 4 vectors produced by pass 62 Test12= 2.04D-13 1.00D-09 XBig12= 1.46D-13 1.24D-08. 4 vectors produced by pass 63 Test12= 2.04D-13 1.00D-09 XBig12= 4.36D-14 5.88D-09. 4 vectors produced by pass 64 Test12= 2.04D-13 1.00D-09 XBig12= 1.27D-13 1.17D-08. 4 vectors produced by pass 65 Test12= 2.04D-13 1.00D-09 XBig12= 7.07D-14 7.20D-09. 4 vectors produced by pass 66 Test12= 2.04D-13 1.00D-09 XBig12= 1.75D-13 1.25D-08. 4 vectors produced by pass 67 Test12= 2.04D-13 1.00D-09 XBig12= 6.28D-14 6.46D-09. 4 vectors produced by pass 68 Test12= 2.04D-13 1.00D-09 XBig12= 1.66D-13 1.36D-08. 4 vectors produced by pass 69 Test12= 2.04D-13 1.00D-09 XBig12= 9.62D-14 9.25D-09. 4 vectors produced by pass 70 Test12= 2.04D-13 1.00D-09 XBig12= 1.70D-13 1.24D-08. 4 vectors produced by pass 71 Test12= 2.04D-13 1.00D-09 XBig12= 9.24D-14 1.08D-08. 4 vectors produced by pass 72 Test12= 2.04D-13 1.00D-09 XBig12= 9.97D-14 1.09D-08. 4 vectors produced by pass 73 Test12= 2.04D-13 1.00D-09 XBig12= 4.94D-14 7.43D-09. 4 vectors produced by pass 74 Test12= 2.04D-13 1.00D-09 XBig12= 1.26D-13 1.08D-08. 4 vectors produced by pass 75 Test12= 2.04D-13 1.00D-09 XBig12= 6.31D-14 7.83D-09. 4 vectors produced by pass 76 Test12= 2.04D-13 1.00D-09 XBig12= 1.30D-13 1.08D-08. 4 vectors produced by pass 77 Test12= 2.04D-13 1.00D-09 XBig12= 1.41D-13 1.14D-08. 4 vectors produced by pass 78 Test12= 2.04D-13 1.00D-09 XBig12= 1.69D-13 1.21D-08. 4 vectors produced by pass 79 Test12= 2.04D-13 1.00D-09 XBig12= 9.72D-14 7.50D-09. 4 vectors produced by pass 80 Test12= 2.04D-13 1.00D-09 XBig12= 1.66D-13 1.30D-08. 4 vectors produced by pass 81 Test12= 2.04D-13 1.00D-09 XBig12= 7.05D-14 8.53D-09. 4 vectors produced by pass 82 Test12= 2.04D-13 1.00D-09 XBig12= 1.16D-13 9.87D-09. 4 vectors produced by pass 83 Test12= 2.04D-13 1.00D-09 XBig12= 9.61D-14 7.50D-09. 4 vectors produced by pass 84 Test12= 2.04D-13 1.00D-09 XBig12= 1.29D-13 1.04D-08. 4 vectors produced by pass 85 Test12= 2.04D-13 1.00D-09 XBig12= 6.78D-14 9.45D-09. 4 vectors produced by pass 86 Test12= 2.04D-13 1.00D-09 XBig12= 7.55D-14 9.67D-09. 4 vectors produced by pass 87 Test12= 2.04D-13 1.00D-09 XBig12= 1.75D-13 1.36D-08. 4 vectors produced by pass 88 Test12= 2.04D-13 1.00D-09 XBig12= 8.51D-14 9.93D-09. 4 vectors produced by pass 89 Test12= 2.04D-13 1.00D-09 XBig12= 9.70D-14 9.74D-09. 4 vectors produced by pass 90 Test12= 2.04D-13 1.00D-09 XBig12= 9.61D-14 8.71D-09. 4 vectors produced by pass 91 Test12= 2.04D-13 1.00D-09 XBig12= 1.00D-13 9.15D-09. 4 vectors produced by pass 92 Test12= 2.04D-13 1.00D-09 XBig12= 9.99D-14 1.06D-08. 4 vectors produced by pass 93 Test12= 2.04D-13 1.00D-09 XBig12= 7.99D-14 7.49D-09. 4 vectors produced by pass 94 Test12= 2.04D-13 1.00D-09 XBig12= 9.25D-14 9.27D-09. 4 vectors produced by pass 95 Test12= 2.04D-13 1.00D-09 XBig12= 1.11D-13 8.54D-09. 4 vectors produced by pass 96 Test12= 2.04D-13 1.00D-09 XBig12= 6.37D-14 7.59D-09. 4 vectors produced by pass 97 Test12= 2.04D-13 1.00D-09 XBig12= 1.26D-13 9.82D-09. 4 vectors produced by pass 98 Test12= 2.04D-13 1.00D-09 XBig12= 1.06D-13 9.23D-09. 4 vectors produced by pass 99 Test12= 2.04D-13 1.00D-09 XBig12= 6.80D-14 8.11D-09. 4 vectors produced by pass100 Test12= 2.04D-13 1.00D-09 XBig12= 6.73D-14 7.14D-09. 4 vectors produced by pass101 Test12= 2.04D-13 1.00D-09 XBig12= 1.03D-13 9.88D-09. 4 vectors produced by pass102 Test12= 2.04D-13 1.00D-09 XBig12= 5.42D-14 7.20D-09. 4 vectors produced by pass103 Test12= 2.04D-13 1.00D-09 XBig12= 1.38D-13 1.45D-08. 4 vectors produced by pass104 Test12= 2.04D-13 1.00D-09 XBig12= 1.11D-13 8.28D-09. 4 vectors produced by pass105 Test12= 2.04D-13 1.00D-09 XBig12= 5.79D-14 8.62D-09. 4 vectors produced by pass106 Test12= 2.04D-13 1.00D-09 XBig12= 1.02D-13 1.13D-08. 4 vectors produced by pass107 Test12= 2.04D-13 1.00D-09 XBig12= 4.61D-14 6.97D-09. 4 vectors produced by pass108 Test12= 2.04D-13 1.00D-09 XBig12= 1.20D-13 1.08D-08. 4 vectors produced by pass109 Test12= 2.04D-13 1.00D-09 XBig12= 1.20D-13 1.17D-08. 4 vectors produced by pass110 Test12= 2.04D-13 1.00D-09 XBig12= 1.78D-13 1.36D-08. 4 vectors produced by pass111 Test12= 2.04D-13 1.00D-09 XBig12= 6.73D-14 8.32D-09. 4 vectors produced by pass112 Test12= 2.04D-13 1.00D-09 XBig12= 1.19D-13 1.16D-08. 4 vectors produced by pass113 Test12= 2.04D-13 1.00D-09 XBig12= 1.55D-13 1.15D-08. 4 vectors produced by pass114 Test12= 2.04D-13 1.00D-09 XBig12= 1.02D-13 8.29D-09. 4 vectors produced by pass115 Test12= 2.04D-13 1.00D-09 XBig12= 1.10D-13 9.51D-09. 4 vectors produced by pass116 Test12= 2.04D-13 1.00D-09 XBig12= 1.14D-13 1.01D-08. 4 vectors produced by pass117 Test12= 2.04D-13 1.00D-09 XBig12= 1.32D-13 1.17D-08. 4 vectors produced by pass118 Test12= 2.04D-13 1.00D-09 XBig12= 8.65D-14 7.72D-09. 4 vectors produced by pass119 Test12= 2.04D-13 1.00D-09 XBig12= 8.94D-14 8.92D-09. 4 vectors produced by pass120 Test12= 2.04D-13 1.00D-09 XBig12= 5.16D-14 6.05D-09. 4 vectors produced by pass121 Test12= 2.04D-13 1.00D-09 XBig12= 7.86D-14 7.66D-09. 4 vectors produced by pass122 Test12= 2.04D-13 1.00D-09 XBig12= 9.52D-14 9.80D-09. 4 vectors produced by pass123 Test12= 2.04D-13 1.00D-09 XBig12= 1.37D-13 1.22D-08. 4 vectors produced by pass124 Test12= 2.04D-13 1.00D-09 XBig12= 6.77D-14 6.76D-09. 4 vectors produced by pass125 Test12= 2.04D-13 1.00D-09 XBig12= 9.88D-14 8.43D-09. 4 vectors produced by pass126 Test12= 2.04D-13 1.00D-09 XBig12= 5.21D-14 5.80D-09. 4 vectors produced by pass127 Test12= 2.04D-13 1.00D-09 XBig12= 8.15D-14 1.08D-08. 4 vectors produced by pass128 Test12= 2.04D-13 1.00D-09 XBig12= 8.08D-14 8.26D-09. 4 vectors produced by pass129 Test12= 2.04D-13 1.00D-09 XBig12= 8.64D-14 7.47D-09. 4 vectors produced by pass130 Test12= 2.04D-13 1.00D-09 XBig12= 1.12D-13 8.78D-09. 4 vectors produced by pass131 Test12= 2.04D-13 1.00D-09 XBig12= 1.43D-13 1.05D-08. 4 vectors produced by pass132 Test12= 2.04D-13 1.00D-09 XBig12= 1.11D-13 1.14D-08. 4 vectors produced by pass133 Test12= 2.04D-13 1.00D-09 XBig12= 8.94D-14 8.10D-09. 4 vectors produced by pass134 Test12= 2.04D-13 1.00D-09 XBig12= 9.89D-14 8.50D-09. 4 vectors produced by pass135 Test12= 2.04D-13 1.00D-09 XBig12= 8.30D-14 7.76D-09. 4 vectors produced by pass136 Test12= 2.04D-13 1.00D-09 XBig12= 1.12D-13 9.08D-09. 4 vectors produced by pass137 Test12= 2.04D-13 1.00D-09 XBig12= 1.23D-13 9.65D-09. 4 vectors produced by pass138 Test12= 2.04D-13 1.00D-09 XBig12= 5.91D-14 6.31D-09. 4 vectors produced by pass139 Test12= 2.04D-13 1.00D-09 XBig12= 7.80D-14 7.23D-09. 4 vectors produced by pass140 Test12= 2.04D-13 1.00D-09 XBig12= 1.33D-13 1.08D-08. 4 vectors produced by pass141 Test12= 2.04D-13 1.00D-09 XBig12= 6.85D-14 6.71D-09. 4 vectors produced by pass142 Test12= 2.04D-13 1.00D-09 XBig12= 1.19D-13 1.27D-08. 4 vectors produced by pass143 Test12= 2.04D-13 1.00D-09 XBig12= 7.15D-14 7.42D-09. 4 vectors produced by pass144 Test12= 2.04D-13 1.00D-09 XBig12= 7.61D-14 6.57D-09. 4 vectors produced by pass145 Test12= 2.04D-13 1.00D-09 XBig12= 1.48D-13 1.12D-08. 4 vectors produced by pass146 Test12= 2.04D-13 1.00D-09 XBig12= 1.13D-13 9.98D-09. 4 vectors produced by pass147 Test12= 2.04D-13 1.00D-09 XBig12= 1.17D-13 9.54D-09. 4 vectors produced by pass148 Test12= 2.04D-13 1.00D-09 XBig12= 6.85D-14 7.02D-09. 4 vectors produced by pass149 Test12= 2.04D-13 1.00D-09 XBig12= 1.29D-13 9.97D-09. 4 vectors produced by pass150 Test12= 2.04D-13 1.00D-09 XBig12= 6.93D-14 7.28D-09. 4 vectors produced by pass151 Test12= 2.04D-13 1.00D-09 XBig12= 4.48D-14 6.16D-09. 4 vectors produced by pass152 Test12= 2.04D-13 1.00D-09 XBig12= 7.53D-14 7.99D-09. 4 vectors produced by pass153 Test12= 2.04D-13 1.00D-09 XBig12= 1.02D-13 9.07D-09. 4 vectors produced by pass154 Test12= 2.04D-13 1.00D-09 XBig12= 1.02D-13 9.92D-09. 4 vectors produced by pass155 Test12= 2.04D-13 1.00D-09 XBig12= 1.15D-13 1.01D-08. 4 vectors produced by pass156 Test12= 2.04D-13 1.00D-09 XBig12= 1.19D-13 9.35D-09. 4 vectors produced by pass157 Test12= 2.04D-13 1.00D-09 XBig12= 7.92D-14 7.30D-09. 4 vectors produced by pass158 Test12= 2.04D-13 1.00D-09 XBig12= 6.97D-14 7.93D-09. 4 vectors produced by pass159 Test12= 2.04D-13 1.00D-09 XBig12= 7.55D-14 7.37D-09. 4 vectors produced by pass160 Test12= 2.04D-13 1.00D-09 XBig12= 1.23D-13 1.04D-08. 4 vectors produced by pass161 Test12= 2.04D-13 1.00D-09 XBig12= 6.05D-14 8.08D-09. 4 vectors produced by pass162 Test12= 2.04D-13 1.00D-09 XBig12= 6.92D-14 7.47D-09. 4 vectors produced by pass163 Test12= 2.04D-13 1.00D-09 XBig12= 1.15D-13 8.90D-09. 3 vectors produced by pass164 Test12= 2.04D-13 1.00D-09 XBig12= 3.51D-14 5.10D-09. 3 vectors produced by pass165 Test12= 2.04D-13 1.00D-09 XBig12= 8.23D-14 9.24D-09. 3 vectors produced by pass166 Test12= 2.04D-13 1.00D-09 XBig12= 6.05D-14 5.81D-09. 3 vectors produced by pass167 Test12= 2.04D-13 1.00D-09 XBig12= 1.04D-13 7.75D-09. 3 vectors produced by pass168 Test12= 2.04D-13 1.00D-09 XBig12= 9.04D-14 8.12D-09. 3 vectors produced by pass169 Test12= 2.04D-13 1.00D-09 XBig12= 9.23D-14 7.47D-09. 3 vectors produced by pass170 Test12= 2.04D-13 1.00D-09 XBig12= 5.42D-14 6.64D-09. 3 vectors produced by pass171 Test12= 2.04D-13 1.00D-09 XBig12= 7.83D-14 8.48D-09. 3 vectors produced by pass172 Test12= 2.04D-13 1.00D-09 XBig12= 7.95D-14 7.17D-09. 3 vectors produced by pass173 Test12= 2.04D-13 1.00D-09 XBig12= 1.20D-13 9.00D-09. 3 vectors produced by pass174 Test12= 2.04D-13 1.00D-09 XBig12= 8.36D-14 8.70D-09. 3 vectors produced by pass175 Test12= 2.04D-13 1.00D-09 XBig12= 9.41D-14 9.86D-09. 3 vectors produced by pass176 Test12= 2.04D-13 1.00D-09 XBig12= 8.23D-14 9.28D-09. 3 vectors produced by pass177 Test12= 2.04D-13 1.00D-09 XBig12= 9.20D-14 8.62D-09. 3 vectors produced by pass178 Test12= 2.04D-13 1.00D-09 XBig12= 8.99D-14 8.06D-09. 3 vectors produced by pass179 Test12= 2.04D-13 1.00D-09 XBig12= 8.08D-14 7.65D-09. 3 vectors produced by pass180 Test12= 2.04D-13 1.00D-09 XBig12= 9.04D-14 1.11D-08. 3 vectors produced by pass181 Test12= 2.04D-13 1.00D-09 XBig12= 7.57D-14 8.14D-09. 3 vectors produced by pass182 Test12= 2.04D-13 1.00D-09 XBig12= 6.16D-14 6.09D-09. 3 vectors produced by pass183 Test12= 2.04D-13 1.00D-09 XBig12= 7.35D-14 7.60D-09. 3 vectors produced by pass184 Test12= 2.04D-13 1.00D-09 XBig12= 7.05D-14 8.09D-09. 3 vectors produced by pass185 Test12= 2.04D-13 1.00D-09 XBig12= 1.06D-13 8.21D-09. 3 vectors produced by pass186 Test12= 2.04D-13 1.00D-09 XBig12= 6.52D-14 6.67D-09. 3 vectors produced by pass187 Test12= 2.04D-13 1.00D-09 XBig12= 8.68D-14 7.71D-09. 3 vectors produced by pass188 Test12= 2.04D-13 1.00D-09 XBig12= 6.16D-14 6.82D-09. 3 vectors produced by pass189 Test12= 2.04D-13 1.00D-09 XBig12= 8.02D-14 8.13D-09. 3 vectors produced by pass190 Test12= 2.04D-13 1.00D-09 XBig12= 6.45D-14 6.42D-09. 3 vectors produced by pass191 Test12= 2.04D-13 1.00D-09 XBig12= 8.31D-14 7.67D-09. 3 vectors produced by pass192 Test12= 2.04D-13 1.00D-09 XBig12= 1.11D-13 9.06D-09. 3 vectors produced by pass193 Test12= 2.04D-13 1.00D-09 XBig12= 9.32D-14 7.97D-09. 3 vectors produced by pass194 Test12= 2.04D-13 1.00D-09 XBig12= 9.36D-14 8.78D-09. 3 vectors produced by pass195 Test12= 2.04D-13 1.00D-09 XBig12= 8.95D-14 8.73D-09. 3 vectors produced by pass196 Test12= 2.04D-13 1.00D-09 XBig12= 4.08D-14 5.86D-09. 3 vectors produced by pass197 Test12= 2.04D-13 1.00D-09 XBig12= 9.77D-14 7.76D-09. 3 vectors produced by pass198 Test12= 2.04D-13 1.00D-09 XBig12= 7.15D-14 6.78D-09. 3 vectors produced by pass199 Test12= 2.04D-13 1.00D-09 XBig12= 9.34D-14 8.42D-09. 3 vectors produced by pass200 Test12= 2.04D-13 1.00D-09 XBig12= 9.09D-14 8.48D-09. 3 vectors produced by pass201 Test12= 2.04D-13 1.00D-09 XBig12= 9.21D-14 7.82D-09. 3 vectors produced by pass202 Test12= 2.04D-13 1.00D-09 XBig12= 4.70D-14 6.67D-09. 3 vectors produced by pass203 Test12= 2.04D-13 1.00D-09 XBig12= 1.29D-13 9.30D-09. 3 vectors produced by pass204 Test12= 2.04D-13 1.00D-09 XBig12= 6.51D-14 7.43D-09. 3 vectors produced by pass205 Test12= 2.04D-13 1.00D-09 XBig12= 7.91D-14 7.47D-09. 3 vectors produced by pass206 Test12= 2.04D-13 1.00D-09 XBig12= 8.08D-14 1.00D-08. 3 vectors produced by pass207 Test12= 2.04D-13 1.00D-09 XBig12= 1.13D-13 9.58D-09. 3 vectors produced by pass208 Test12= 2.04D-13 1.00D-09 XBig12= 7.42D-14 6.86D-09. 3 vectors produced by pass209 Test12= 2.04D-13 1.00D-09 XBig12= 6.63D-14 6.76D-09. 3 vectors produced by pass210 Test12= 2.04D-13 1.00D-09 XBig12= 7.07D-14 6.46D-09. 3 vectors produced by pass211 Test12= 2.04D-13 1.00D-09 XBig12= 5.74D-14 5.98D-09. 3 vectors produced by pass212 Test12= 2.04D-13 1.00D-09 XBig12= 7.57D-14 8.43D-09. 3 vectors produced by pass213 Test12= 2.04D-13 1.00D-09 XBig12= 6.61D-14 6.96D-09. 3 vectors produced by pass214 Test12= 2.04D-13 1.00D-09 XBig12= 7.23D-14 6.82D-09. 3 vectors produced by pass215 Test12= 2.04D-13 1.00D-09 XBig12= 7.33D-14 7.10D-09. 3 vectors produced by pass216 Test12= 2.04D-13 1.00D-09 XBig12= 7.24D-14 6.99D-09. 3 vectors produced by pass217 Test12= 2.04D-13 1.00D-09 XBig12= 7.54D-14 6.52D-09. 3 vectors produced by pass218 Test12= 2.04D-13 1.00D-09 XBig12= 5.99D-14 7.05D-09. 3 vectors produced by pass219 Test12= 2.04D-13 1.00D-09 XBig12= 9.97D-14 9.39D-09. 3 vectors produced by pass220 Test12= 2.04D-13 1.00D-09 XBig12= 8.64D-14 7.63D-09. 3 vectors produced by pass221 Test12= 2.04D-13 1.00D-09 XBig12= 9.24D-14 7.30D-09. 3 vectors produced by pass222 Test12= 2.04D-13 1.00D-09 XBig12= 1.02D-13 7.56D-09. 3 vectors produced by pass223 Test12= 2.04D-13 1.00D-09 XBig12= 8.13D-14 7.41D-09. 3 vectors produced by pass224 Test12= 2.04D-13 1.00D-09 XBig12= 8.47D-14 7.79D-09. 3 vectors produced by pass225 Test12= 2.04D-13 1.00D-09 XBig12= 1.11D-13 9.56D-09. 3 vectors produced by pass226 Test12= 2.04D-13 1.00D-09 XBig12= 6.82D-14 7.92D-09. 3 vectors produced by pass227 Test12= 2.04D-13 1.00D-09 XBig12= 9.12D-14 8.70D-09. 3 vectors produced by pass228 Test12= 2.04D-13 1.00D-09 XBig12= 1.06D-13 7.41D-09. 3 vectors produced by pass229 Test12= 2.04D-13 1.00D-09 XBig12= 8.89D-14 7.80D-09. 3 vectors produced by pass230 Test12= 2.04D-13 1.00D-09 XBig12= 8.30D-14 7.73D-09. 3 vectors produced by pass231 Test12= 2.04D-13 1.00D-09 XBig12= 7.35D-14 7.60D-09. 3 vectors produced by pass232 Test12= 2.04D-13 1.00D-09 XBig12= 1.01D-13 8.57D-09. 3 vectors produced by pass233 Test12= 2.04D-13 1.00D-09 XBig12= 6.45D-14 6.70D-09. 3 vectors produced by pass234 Test12= 2.04D-13 1.00D-09 XBig12= 8.00D-14 9.19D-09. 3 vectors produced by pass235 Test12= 2.04D-13 1.00D-09 XBig12= 1.06D-13 7.64D-09. 3 vectors produced by pass236 Test12= 2.04D-13 1.00D-09 XBig12= 6.07D-14 7.09D-09. 3 vectors produced by pass237 Test12= 2.04D-13 1.00D-09 XBig12= 6.01D-14 5.82D-09. 3 vectors produced by pass238 Test12= 2.04D-13 1.00D-09 XBig12= 8.63D-14 6.83D-09. 3 vectors produced by pass239 Test12= 2.04D-13 1.00D-09 XBig12= 7.55D-14 8.33D-09. 3 vectors produced by pass240 Test12= 2.04D-13 1.00D-09 XBig12= 9.05D-14 1.01D-08. 3 vectors produced by pass241 Test12= 2.04D-13 1.00D-09 XBig12= 5.34D-14 5.53D-09. 3 vectors produced by pass242 Test12= 2.04D-13 1.00D-09 XBig12= 5.91D-14 6.26D-09. 3 vectors produced by pass243 Test12= 2.04D-13 1.00D-09 XBig12= 9.91D-14 9.31D-09. 3 vectors produced by pass244 Test12= 2.04D-13 1.00D-09 XBig12= 3.79D-14 5.13D-09. 3 vectors produced by pass245 Test12= 2.04D-13 1.00D-09 XBig12= 7.90D-14 6.30D-09. 3 vectors produced by pass246 Test12= 2.04D-13 1.00D-09 XBig12= 5.66D-14 5.83D-09. 3 vectors produced by pass247 Test12= 2.04D-13 1.00D-09 XBig12= 9.12D-14 7.37D-09. 3 vectors produced by pass248 Test12= 2.04D-13 1.00D-09 XBig12= 7.60D-14 7.42D-09. 3 vectors produced by pass249 Test12= 2.04D-13 1.00D-09 XBig12= 5.81D-14 6.39D-09. 3 vectors produced by pass250 Test12= 2.04D-13 1.00D-09 XBig12= 5.30D-14 6.50D-09. 3 vectors produced by pass251 Test12= 2.04D-13 1.00D-09 XBig12= 7.61D-14 8.40D-09. 3 vectors produced by pass252 Test12= 2.04D-13 1.00D-09 XBig12= 6.06D-14 6.18D-09. 3 vectors produced by pass253 Test12= 2.04D-13 1.00D-09 XBig12= 9.08D-14 8.36D-09. 3 vectors produced by pass254 Test12= 2.04D-13 1.00D-09 XBig12= 7.15D-14 6.85D-09. 3 vectors produced by pass255 Test12= 2.04D-13 1.00D-09 XBig12= 8.67D-14 7.74D-09. 3 vectors produced by pass256 Test12= 2.04D-13 1.00D-09 XBig12= 8.52D-14 9.22D-09. 3 vectors produced by pass257 Test12= 2.04D-13 1.00D-09 XBig12= 9.63D-14 1.01D-08. 3 vectors produced by pass258 Test12= 2.04D-13 1.00D-09 XBig12= 3.82D-14 4.37D-09. 3 vectors produced by pass259 Test12= 2.04D-13 1.00D-09 XBig12= 7.79D-14 8.40D-09. 3 vectors produced by pass260 Test12= 2.04D-13 1.00D-09 XBig12= 1.04D-13 8.03D-09. 3 vectors produced by pass261 Test12= 2.04D-13 1.00D-09 XBig12= 5.72D-14 5.60D-09. 3 vectors produced by pass262 Test12= 2.04D-13 1.00D-09 XBig12= 7.05D-14 7.39D-09. 3 vectors produced by pass263 Test12= 2.04D-13 1.00D-09 XBig12= 1.08D-13 8.70D-09. 3 vectors produced by pass264 Test12= 2.04D-13 1.00D-09 XBig12= 3.18D-14 4.67D-09. 3 vectors produced by pass265 Test12= 2.04D-13 1.00D-09 XBig12= 7.81D-14 7.61D-09. 3 vectors produced by pass266 Test12= 2.04D-13 1.00D-09 XBig12= 9.25D-14 8.55D-09. 3 vectors produced by pass267 Test12= 2.04D-13 1.00D-09 XBig12= 7.66D-14 7.34D-09. 3 vectors produced by pass268 Test12= 2.04D-13 1.00D-09 XBig12= 7.76D-14 5.98D-09. 3 vectors produced by pass269 Test12= 2.04D-13 1.00D-09 XBig12= 5.81D-14 7.50D-09. 3 vectors produced by pass270 Test12= 2.04D-13 1.00D-09 XBig12= 1.41D-13 1.04D-08. 3 vectors produced by pass271 Test12= 2.04D-13 1.00D-09 XBig12= 9.51D-14 6.92D-09. 3 vectors produced by pass272 Test12= 2.04D-13 1.00D-09 XBig12= 9.29D-14 7.05D-09. 3 vectors produced by pass273 Test12= 2.04D-13 1.00D-09 XBig12= 1.11D-13 9.45D-09. 3 vectors produced by pass274 Test12= 2.04D-13 1.00D-09 XBig12= 4.09D-14 4.33D-09. 3 vectors produced by pass275 Test12= 2.04D-13 1.00D-09 XBig12= 7.56D-14 7.31D-09. 3 vectors produced by pass276 Test12= 2.04D-13 1.00D-09 XBig12= 5.65D-14 6.20D-09. 3 vectors produced by pass277 Test12= 2.04D-13 1.00D-09 XBig12= 9.99D-14 8.16D-09. 3 vectors produced by pass278 Test12= 2.04D-13 1.00D-09 XBig12= 6.38D-14 6.29D-09. 3 vectors produced by pass279 Test12= 2.04D-13 1.00D-09 XBig12= 4.33D-14 5.00D-09. 3 vectors produced by pass280 Test12= 2.04D-13 1.00D-09 XBig12= 9.72D-14 8.43D-09. 3 vectors produced by pass281 Test12= 2.04D-13 1.00D-09 XBig12= 4.17D-14 5.07D-09. 3 vectors produced by pass282 Test12= 2.04D-13 1.00D-09 XBig12= 8.17D-14 6.63D-09. 3 vectors produced by pass283 Test12= 2.04D-13 1.00D-09 XBig12= 8.77D-14 7.27D-09. 3 vectors produced by pass284 Test12= 2.04D-13 1.00D-09 XBig12= 1.20D-13 8.50D-09. 3 vectors produced by pass285 Test12= 2.04D-13 1.00D-09 XBig12= 7.72D-14 6.50D-09. 3 vectors produced by pass286 Test12= 2.04D-13 1.00D-09 XBig12= 6.67D-14 7.26D-09. 3 vectors produced by pass287 Test12= 2.04D-13 1.00D-09 XBig12= 1.06D-13 8.72D-09. 3 vectors produced by pass288 Test12= 2.04D-13 1.00D-09 XBig12= 3.69D-14 5.42D-09. 3 vectors produced by pass289 Test12= 2.04D-13 1.00D-09 XBig12= 6.88D-14 6.86D-09. 3 vectors produced by pass290 Test12= 2.04D-13 1.00D-09 XBig12= 8.25D-14 7.22D-09. 3 vectors produced by pass291 Test12= 2.04D-13 1.00D-09 XBig12= 1.37D-13 8.71D-09. 3 vectors produced by pass292 Test12= 2.04D-13 1.00D-09 XBig12= 3.17D-14 4.47D-09. 3 vectors produced by pass293 Test12= 2.04D-13 1.00D-09 XBig12= 6.46D-14 6.46D-09. 3 vectors produced by pass294 Test12= 2.04D-13 1.00D-09 XBig12= 9.95D-14 7.41D-09. 3 vectors produced by pass295 Test12= 2.04D-13 1.00D-09 XBig12= 8.52D-14 7.28D-09. 3 vectors produced by pass296 Test12= 2.04D-13 1.00D-09 XBig12= 5.81D-14 5.82D-09. 3 vectors produced by pass297 Test12= 2.04D-13 1.00D-09 XBig12= 5.56D-14 6.26D-09. 3 vectors produced by pass298 Test12= 2.04D-13 1.00D-09 XBig12= 7.76D-14 7.12D-09. 3 vectors produced by pass299 Test12= 2.04D-13 1.00D-09 XBig12= 4.75D-14 6.63D-09. 3 vectors produced by pass300 Test12= 2.04D-13 1.00D-09 XBig12= 6.06D-14 6.57D-09. 3 vectors produced by pass301 Test12= 2.04D-13 1.00D-09 XBig12= 6.80D-14 7.07D-09. 3 vectors produced by pass302 Test12= 2.04D-13 1.00D-09 XBig12= 7.01D-14 8.57D-09. 3 vectors produced by pass303 Test12= 2.04D-13 1.00D-09 XBig12= 5.21D-14 6.59D-09. 3 vectors produced by pass304 Test12= 2.04D-13 1.00D-09 XBig12= 5.29D-14 6.39D-09. 3 vectors produced by pass305 Test12= 2.04D-13 1.00D-09 XBig12= 7.48D-14 7.03D-09. 3 vectors produced by pass306 Test12= 2.04D-13 1.00D-09 XBig12= 8.02D-14 6.86D-09. 3 vectors produced by pass307 Test12= 2.04D-13 1.00D-09 XBig12= 9.42D-14 9.13D-09. 3 vectors produced by pass308 Test12= 2.04D-13 1.00D-09 XBig12= 4.50D-14 5.57D-09. 3 vectors produced by pass309 Test12= 2.04D-13 1.00D-09 XBig12= 6.45D-14 5.85D-09. 3 vectors produced by pass310 Test12= 2.04D-13 1.00D-09 XBig12= 1.17D-13 9.99D-09. 3 vectors produced by pass311 Test12= 2.04D-13 1.00D-09 XBig12= 7.42D-14 7.68D-09. 3 vectors produced by pass312 Test12= 2.04D-13 1.00D-09 XBig12= 6.14D-14 7.67D-09. 3 vectors produced by pass313 Test12= 2.04D-13 1.00D-09 XBig12= 1.22D-13 1.01D-08. 3 vectors produced by pass314 Test12= 2.04D-13 1.00D-09 XBig12= 4.90D-14 5.66D-09. 3 vectors produced by pass315 Test12= 2.04D-13 1.00D-09 XBig12= 6.26D-14 6.59D-09. 3 vectors produced by pass316 Test12= 2.04D-13 1.00D-09 XBig12= 9.86D-14 8.74D-09. 3 vectors produced by pass317 Test12= 2.04D-13 1.00D-09 XBig12= 5.16D-14 5.82D-09. 3 vectors produced by pass318 Test12= 2.04D-13 1.00D-09 XBig12= 4.74D-14 4.74D-09. 3 vectors produced by pass319 Test12= 2.04D-13 1.00D-09 XBig12= 6.03D-14 5.80D-09. 3 vectors produced by pass320 Test12= 2.04D-13 1.00D-09 XBig12= 9.66D-14 7.57D-09. 3 vectors produced by pass321 Test12= 2.04D-13 1.00D-09 XBig12= 5.05D-14 5.54D-09. 3 vectors produced by pass322 Test12= 2.04D-13 1.00D-09 XBig12= 6.47D-14 6.33D-09. 3 vectors produced by pass323 Test12= 2.04D-13 1.00D-09 XBig12= 4.63D-14 5.18D-09. 3 vectors produced by pass324 Test12= 2.04D-13 1.00D-09 XBig12= 7.95D-14 6.82D-09. 3 vectors produced by pass325 Test12= 2.04D-13 1.00D-09 XBig12= 6.10D-14 5.94D-09. 3 vectors produced by pass326 Test12= 2.04D-13 1.00D-09 XBig12= 7.11D-14 6.65D-09. 3 vectors produced by pass327 Test12= 2.04D-13 1.00D-09 XBig12= 1.01D-13 7.92D-09. 3 vectors produced by pass328 Test12= 2.04D-13 1.00D-09 XBig12= 6.15D-14 6.34D-09. 3 vectors produced by pass329 Test12= 2.04D-13 1.00D-09 XBig12= 7.79D-14 8.47D-09. 3 vectors produced by pass330 Test12= 2.04D-13 1.00D-09 XBig12= 7.00D-14 6.52D-09. 3 vectors produced by pass331 Test12= 2.04D-13 1.00D-09 XBig12= 7.40D-14 7.33D-09. 3 vectors produced by pass332 Test12= 2.04D-13 1.00D-09 XBig12= 6.16D-14 7.00D-09. 3 vectors produced by pass333 Test12= 2.04D-13 1.00D-09 XBig12= 6.29D-14 7.31D-09. 3 vectors produced by pass334 Test12= 2.04D-13 1.00D-09 XBig12= 4.86D-14 6.39D-09. 3 vectors produced by pass335 Test12= 2.04D-13 1.00D-09 XBig12= 8.49D-14 8.33D-09. 3 vectors produced by pass336 Test12= 2.04D-13 1.00D-09 XBig12= 3.67D-14 4.57D-09. 3 vectors produced by pass337 Test12= 2.04D-13 1.00D-09 XBig12= 1.01D-13 9.19D-09. 3 vectors produced by pass338 Test12= 2.04D-13 1.00D-09 XBig12= 5.94D-14 5.34D-09. 3 vectors produced by pass339 Test12= 2.04D-13 1.00D-09 XBig12= 5.70D-14 5.97D-09. 3 vectors produced by pass340 Test12= 2.04D-13 1.00D-09 XBig12= 8.46D-14 8.23D-09. 3 vectors produced by pass341 Test12= 2.04D-13 1.00D-09 XBig12= 6.31D-14 6.16D-09. 3 vectors produced by pass342 Test12= 2.04D-13 1.00D-09 XBig12= 6.57D-14 6.60D-09. 3 vectors produced by pass343 Test12= 2.04D-13 1.00D-09 XBig12= 8.28D-14 6.71D-09. 3 vectors produced by pass344 Test12= 2.04D-13 1.00D-09 XBig12= 8.87D-14 7.66D-09. 3 vectors produced by pass345 Test12= 2.04D-13 1.00D-09 XBig12= 4.54D-14 4.50D-09. 3 vectors produced by pass346 Test12= 2.04D-13 1.00D-09 XBig12= 7.99D-14 6.40D-09. 3 vectors produced by pass347 Test12= 2.04D-13 1.00D-09 XBig12= 6.00D-14 6.38D-09. 3 vectors produced by pass348 Test12= 2.04D-13 1.00D-09 XBig12= 6.38D-14 5.60D-09. 3 vectors produced by pass349 Test12= 2.04D-13 1.00D-09 XBig12= 6.85D-14 6.87D-09. 3 vectors produced by pass350 Test12= 2.04D-13 1.00D-09 XBig12= 9.79D-14 7.78D-09. 3 vectors produced by pass351 Test12= 2.04D-13 1.00D-09 XBig12= 5.80D-14 7.43D-09. 3 vectors produced by pass352 Test12= 2.04D-13 1.00D-09 XBig12= 8.57D-14 7.85D-09. 3 vectors produced by pass353 Test12= 2.04D-13 1.00D-09 XBig12= 4.10D-14 5.34D-09. 3 vectors produced by pass354 Test12= 2.04D-13 1.00D-09 XBig12= 4.36D-14 4.98D-09. 3 vectors produced by pass355 Test12= 2.04D-13 1.00D-09 XBig12= 7.74D-14 8.57D-09. 3 vectors produced by pass356 Test12= 2.04D-13 1.00D-09 XBig12= 5.46D-14 5.82D-09. 3 vectors produced by pass357 Test12= 2.04D-13 1.00D-09 XBig12= 8.33D-14 8.14D-09. 3 vectors produced by pass358 Test12= 2.04D-13 1.00D-09 XBig12= 6.56D-14 7.00D-09. 3 vectors produced by pass359 Test12= 2.04D-13 1.00D-09 XBig12= 1.22D-13 8.63D-09. 3 vectors produced by pass360 Test12= 2.04D-13 1.00D-09 XBig12= 5.84D-14 5.43D-09. 3 vectors produced by pass361 Test12= 2.04D-13 1.00D-09 XBig12= 4.45D-14 7.22D-09. 3 vectors produced by pass362 Test12= 2.04D-13 1.00D-09 XBig12= 7.19D-14 6.83D-09. 3 vectors produced by pass363 Test12= 2.04D-13 1.00D-09 XBig12= 4.27D-14 5.09D-09. 3 vectors produced by pass364 Test12= 2.04D-13 1.00D-09 XBig12= 4.74D-14 5.24D-09. 3 vectors produced by pass365 Test12= 2.04D-13 1.00D-09 XBig12= 6.20D-14 5.90D-09. 3 vectors produced by pass366 Test12= 2.04D-13 1.00D-09 XBig12= 5.87D-14 6.85D-09. 3 vectors produced by pass367 Test12= 2.04D-13 1.00D-09 XBig12= 3.03D-14 4.39D-09. 3 vectors produced by pass368 Test12= 2.04D-13 1.00D-09 XBig12= 8.09D-14 6.15D-09. 3 vectors produced by pass369 Test12= 2.04D-13 1.00D-09 XBig12= 4.89D-14 6.15D-09. 3 vectors produced by pass370 Test12= 2.04D-13 1.00D-09 XBig12= 4.47D-14 4.75D-09. 3 vectors produced by pass371 Test12= 2.04D-13 1.00D-09 XBig12= 6.42D-14 6.59D-09. 3 vectors produced by pass372 Test12= 2.04D-13 1.00D-09 XBig12= 5.50D-14 5.81D-09. 3 vectors produced by pass373 Test12= 2.04D-13 1.00D-09 XBig12= 6.04D-14 5.91D-09. 3 vectors produced by pass374 Test12= 2.04D-13 1.00D-09 XBig12= 7.18D-14 6.47D-09. 3 vectors produced by pass375 Test12= 2.04D-13 1.00D-09 XBig12= 7.75D-14 6.74D-09. 3 vectors produced by pass376 Test12= 2.04D-13 1.00D-09 XBig12= 7.10D-14 6.76D-09. 3 vectors produced by pass377 Test12= 2.04D-13 1.00D-09 XBig12= 2.83D-14 4.37D-09. 3 vectors produced by pass378 Test12= 2.04D-13 1.00D-09 XBig12= 6.63D-14 6.08D-09. 3 vectors produced by pass379 Test12= 2.04D-13 1.00D-09 XBig12= 6.65D-14 5.38D-09. 3 vectors produced by pass380 Test12= 2.04D-13 1.00D-09 XBig12= 4.81D-14 6.24D-09. 3 vectors produced by pass381 Test12= 2.04D-13 1.00D-09 XBig12= 7.25D-14 6.31D-09. 3 vectors produced by pass382 Test12= 2.04D-13 1.00D-09 XBig12= 7.50D-14 6.84D-09. 3 vectors produced by pass383 Test12= 2.04D-13 1.00D-09 XBig12= 4.08D-14 4.96D-09. 3 vectors produced by pass384 Test12= 2.04D-13 1.00D-09 XBig12= 5.26D-14 5.51D-09. 3 vectors produced by pass385 Test12= 2.04D-13 1.00D-09 XBig12= 5.98D-14 5.61D-09. 3 vectors produced by pass386 Test12= 2.04D-13 1.00D-09 XBig12= 7.70D-14 6.87D-09. 3 vectors produced by pass387 Test12= 2.04D-13 1.00D-09 XBig12= 4.92D-14 5.81D-09. 3 vectors produced by pass388 Test12= 2.04D-13 1.00D-09 XBig12= 7.06D-14 6.47D-09. 3 vectors produced by pass389 Test12= 2.04D-13 1.00D-09 XBig12= 5.78D-14 5.78D-09. 3 vectors produced by pass390 Test12= 2.04D-13 1.00D-09 XBig12= 6.07D-14 6.17D-09. 3 vectors produced by pass391 Test12= 2.04D-13 1.00D-09 XBig12= 2.17D-14 3.31D-09. 3 vectors produced by pass392 Test12= 2.04D-13 1.00D-09 XBig12= 5.81D-14 6.13D-09. 3 vectors produced by pass393 Test12= 2.04D-13 1.00D-09 XBig12= 5.37D-14 5.19D-09. 3 vectors produced by pass394 Test12= 2.04D-13 1.00D-09 XBig12= 7.52D-14 7.07D-09. 3 vectors produced by pass395 Test12= 2.04D-13 1.00D-09 XBig12= 6.39D-14 6.05D-09. 3 vectors produced by pass396 Test12= 2.04D-13 1.00D-09 XBig12= 5.86D-14 7.58D-09. 3 vectors produced by pass397 Test12= 2.04D-13 1.00D-09 XBig12= 6.61D-14 5.98D-09. 3 vectors produced by pass398 Test12= 2.04D-13 1.00D-09 XBig12= 3.91D-14 4.39D-09. 3 vectors produced by pass399 Test12= 2.04D-13 1.00D-09 XBig12= 6.24D-14 6.20D-09. 3 vectors produced by pass400 Test12= 2.04D-13 1.00D-09 XBig12= 4.82D-14 4.89D-09. 3 vectors produced by pass401 Test12= 2.04D-13 1.00D-09 XBig12= 5.06D-14 5.87D-09. 3 vectors produced by pass402 Test12= 2.04D-13 1.00D-09 XBig12= 6.39D-14 6.55D-09. 3 vectors produced by pass403 Test12= 2.04D-13 1.00D-09 XBig12= 4.61D-14 4.58D-09. 3 vectors produced by pass404 Test12= 2.04D-13 1.00D-09 XBig12= 4.71D-14 5.94D-09. 3 vectors produced by pass405 Test12= 2.04D-13 1.00D-09 XBig12= 4.25D-14 4.69D-09. 3 vectors produced by pass406 Test12= 2.04D-13 1.00D-09 XBig12= 5.66D-14 4.81D-09. 3 vectors produced by pass407 Test12= 2.04D-13 1.00D-09 XBig12= 6.39D-14 6.71D-09. 3 vectors produced by pass408 Test12= 2.04D-13 1.00D-09 XBig12= 4.97D-14 5.50D-09. 3 vectors produced by pass409 Test12= 2.04D-13 1.00D-09 XBig12= 5.94D-14 6.40D-09. 3 vectors produced by pass410 Test12= 2.04D-13 1.00D-09 XBig12= 5.92D-14 6.83D-09. 3 vectors produced by pass411 Test12= 2.04D-13 1.00D-09 XBig12= 7.08D-14 7.65D-09. 3 vectors produced by pass412 Test12= 2.04D-13 1.00D-09 XBig12= 2.60D-14 4.16D-09. 3 vectors produced by pass413 Test12= 2.04D-13 1.00D-09 XBig12= 5.60D-14 5.70D-09. 3 vectors produced by pass414 Test12= 2.04D-13 1.00D-09 XBig12= 5.59D-14 6.21D-09. 3 vectors produced by pass415 Test12= 2.04D-13 1.00D-09 XBig12= 5.78D-14 6.56D-09. 3 vectors produced by pass416 Test12= 2.04D-13 1.00D-09 XBig12= 3.29D-14 4.20D-09. 3 vectors produced by pass417 Test12= 2.04D-13 1.00D-09 XBig12= 3.75D-14 5.99D-09. 3 vectors produced by pass418 Test12= 2.04D-13 1.00D-09 XBig12= 6.02D-14 6.57D-09. 3 vectors produced by pass419 Test12= 2.04D-13 1.00D-09 XBig12= 2.77D-14 4.36D-09. 3 vectors produced by pass420 Test12= 2.04D-13 1.00D-09 XBig12= 3.99D-14 5.06D-09. 3 vectors produced by pass421 Test12= 2.04D-13 1.00D-09 XBig12= 7.47D-14 7.20D-09. 3 vectors produced by pass422 Test12= 2.04D-13 1.00D-09 XBig12= 2.09D-14 3.91D-09. 3 vectors produced by pass423 Test12= 2.04D-13 1.00D-09 XBig12= 4.73D-14 5.75D-09. 3 vectors produced by pass424 Test12= 2.04D-13 1.00D-09 XBig12= 6.58D-14 6.58D-09. 3 vectors produced by pass425 Test12= 2.04D-13 1.00D-09 XBig12= 5.54D-14 5.62D-09. 3 vectors produced by pass426 Test12= 2.04D-13 1.00D-09 XBig12= 4.25D-14 5.47D-09. 3 vectors produced by pass427 Test12= 2.04D-13 1.00D-09 XBig12= 4.17D-14 4.76D-09. 3 vectors produced by pass428 Test12= 2.04D-13 1.00D-09 XBig12= 5.06D-14 4.73D-09. 3 vectors produced by pass429 Test12= 2.04D-13 1.00D-09 XBig12= 4.21D-14 5.09D-09. 3 vectors produced by pass430 Test12= 2.04D-13 1.00D-09 XBig12= 5.26D-14 6.53D-09. 3 vectors produced by pass431 Test12= 2.04D-13 1.00D-09 XBig12= 6.45D-14 6.33D-09. 3 vectors produced by pass432 Test12= 2.04D-13 1.00D-09 XBig12= 3.75D-14 4.27D-09. 3 vectors produced by pass433 Test12= 2.04D-13 1.00D-09 XBig12= 6.84D-14 7.43D-09. 3 vectors produced by pass434 Test12= 2.04D-13 1.00D-09 XBig12= 5.13D-14 5.56D-09. 3 vectors produced by pass435 Test12= 2.04D-13 1.00D-09 XBig12= 3.77D-14 4.24D-09. 3 vectors produced by pass436 Test12= 2.04D-13 1.00D-09 XBig12= 6.44D-14 6.17D-09. 3 vectors produced by pass437 Test12= 2.04D-13 1.00D-09 XBig12= 5.63D-14 5.27D-09. 3 vectors produced by pass438 Test12= 2.04D-13 1.00D-09 XBig12= 6.38D-14 5.94D-09. 3 vectors produced by pass439 Test12= 2.04D-13 1.00D-09 XBig12= 4.89D-14 5.95D-09. 3 vectors produced by pass440 Test12= 2.04D-13 1.00D-09 XBig12= 9.59D-14 7.78D-09. 3 vectors produced by pass441 Test12= 2.04D-13 1.00D-09 XBig12= 5.15D-14 5.31D-09. 3 vectors produced by pass442 Test12= 2.04D-13 1.00D-09 XBig12= 7.04D-14 7.78D-09. 3 vectors produced by pass443 Test12= 2.04D-13 1.00D-09 XBig12= 6.67D-14 5.84D-09. 3 vectors produced by pass444 Test12= 2.04D-13 1.00D-09 XBig12= 3.81D-14 4.50D-09. 3 vectors produced by pass445 Test12= 2.04D-13 1.00D-09 XBig12= 9.12D-14 7.90D-09. 3 vectors produced by pass446 Test12= 2.04D-13 1.00D-09 XBig12= 5.40D-14 5.97D-09. 3 vectors produced by pass447 Test12= 2.04D-13 1.00D-09 XBig12= 5.09D-14 5.25D-09. 3 vectors produced by pass448 Test12= 2.04D-13 1.00D-09 XBig12= 6.14D-14 5.54D-09. 3 vectors produced by pass449 Test12= 2.04D-13 1.00D-09 XBig12= 3.62D-14 4.41D-09. 3 vectors produced by pass450 Test12= 2.04D-13 1.00D-09 XBig12= 6.94D-14 6.37D-09. 3 vectors produced by pass451 Test12= 2.04D-13 1.00D-09 XBig12= 4.93D-14 5.20D-09. 3 vectors produced by pass452 Test12= 2.04D-13 1.00D-09 XBig12= 7.68D-14 6.77D-09. 3 vectors produced by pass453 Test12= 2.04D-13 1.00D-09 XBig12= 8.35D-14 7.04D-09. 3 vectors produced by pass454 Test12= 2.04D-13 1.00D-09 XBig12= 3.46D-14 4.11D-09. 3 vectors produced by pass455 Test12= 2.04D-13 1.00D-09 XBig12= 5.78D-14 6.44D-09. 3 vectors produced by pass456 Test12= 2.04D-13 1.00D-09 XBig12= 4.64D-14 5.71D-09. 3 vectors produced by pass457 Test12= 2.04D-13 1.00D-09 XBig12= 4.85D-14 5.49D-09. 3 vectors produced by pass458 Test12= 2.04D-13 1.00D-09 XBig12= 4.42D-14 5.12D-09. 3 vectors produced by pass459 Test12= 2.04D-13 1.00D-09 XBig12= 4.43D-14 6.84D-09. 3 vectors produced by pass460 Test12= 2.04D-13 1.00D-09 XBig12= 5.19D-14 5.22D-09. 3 vectors produced by pass461 Test12= 2.04D-13 1.00D-09 XBig12= 3.95D-14 4.27D-09. 3 vectors produced by pass462 Test12= 2.04D-13 1.00D-09 XBig12= 4.97D-14 5.14D-09. 3 vectors produced by pass463 Test12= 2.04D-13 1.00D-09 XBig12= 9.14D-14 6.92D-09. 3 vectors produced by pass464 Test12= 2.04D-13 1.00D-09 XBig12= 6.27D-14 6.12D-09. 3 vectors produced by pass465 Test12= 2.04D-13 1.00D-09 XBig12= 4.88D-14 5.60D-09. 3 vectors produced by pass466 Test12= 2.04D-13 1.00D-09 XBig12= 4.87D-14 4.89D-09. 3 vectors produced by pass467 Test12= 2.04D-13 1.00D-09 XBig12= 8.26D-14 6.38D-09. 3 vectors produced by pass468 Test12= 2.04D-13 1.00D-09 XBig12= 3.90D-14 5.48D-09. 3 vectors produced by pass469 Test12= 2.04D-13 1.00D-09 XBig12= 5.28D-14 6.19D-09. 3 vectors produced by pass470 Test12= 2.04D-13 1.00D-09 XBig12= 3.84D-14 4.90D-09. 3 vectors produced by pass471 Test12= 2.04D-13 1.00D-09 XBig12= 4.55D-14 5.12D-09. 3 vectors produced by pass472 Test12= 2.04D-13 1.00D-09 XBig12= 6.04D-14 5.75D-09. 3 vectors produced by pass473 Test12= 2.04D-13 1.00D-09 XBig12= 4.29D-14 4.48D-09. 3 vectors produced by pass474 Test12= 2.04D-13 1.00D-09 XBig12= 4.86D-14 5.31D-09. 3 vectors produced by pass475 Test12= 2.04D-13 1.00D-09 XBig12= 3.75D-14 4.45D-09. 3 vectors produced by pass476 Test12= 2.04D-13 1.00D-09 XBig12= 4.55D-14 5.37D-09. 3 vectors produced by pass477 Test12= 2.04D-13 1.00D-09 XBig12= 7.05D-14 7.37D-09. 3 vectors produced by pass478 Test12= 2.04D-13 1.00D-09 XBig12= 4.71D-14 6.65D-09. 3 vectors produced by pass479 Test12= 2.04D-13 1.00D-09 XBig12= 5.23D-14 5.65D-09. 3 vectors produced by pass480 Test12= 2.04D-13 1.00D-09 XBig12= 6.98D-14 7.16D-09. 3 vectors produced by pass481 Test12= 2.04D-13 1.00D-09 XBig12= 4.33D-14 5.14D-09. 3 vectors produced by pass482 Test12= 2.04D-13 1.00D-09 XBig12= 7.44D-14 7.52D-09. 3 vectors produced by pass483 Test12= 2.04D-13 1.00D-09 XBig12= 5.30D-14 5.13D-09. 3 vectors produced by pass484 Test12= 2.04D-13 1.00D-09 XBig12= 5.10D-14 5.48D-09. 3 vectors produced by pass485 Test12= 2.04D-13 1.00D-09 XBig12= 6.74D-14 6.22D-09. 3 vectors produced by pass486 Test12= 2.04D-13 1.00D-09 XBig12= 4.73D-14 5.65D-09. 3 vectors produced by pass487 Test12= 2.04D-13 1.00D-09 XBig12= 4.76D-14 5.78D-09. 3 vectors produced by pass488 Test12= 2.04D-13 1.00D-09 XBig12= 3.50D-14 4.06D-09. 3 vectors produced by pass489 Test12= 2.04D-13 1.00D-09 XBig12= 6.35D-14 6.18D-09. 3 vectors produced by pass490 Test12= 2.04D-13 1.00D-09 XBig12= 4.72D-14 5.36D-09. 3 vectors produced by pass491 Test12= 2.04D-13 1.00D-09 XBig12= 5.53D-14 5.88D-09. 3 vectors produced by pass492 Test12= 2.04D-13 1.00D-09 XBig12= 3.97D-14 5.20D-09. 3 vectors produced by pass493 Test12= 2.04D-13 1.00D-09 XBig12= 5.90D-14 5.47D-09. 3 vectors produced by pass494 Test12= 2.04D-13 1.00D-09 XBig12= 5.41D-14 6.15D-09. 3 vectors produced by pass495 Test12= 2.04D-13 1.00D-09 XBig12= 4.74D-14 5.54D-09. 3 vectors produced by pass496 Test12= 2.04D-13 1.00D-09 XBig12= 5.56D-14 6.11D-09. 3 vectors produced by pass497 Test12= 2.04D-13 1.00D-09 XBig12= 8.41D-14 7.15D-09. 3 vectors produced by pass498 Test12= 2.04D-13 1.00D-09 XBig12= 3.64D-14 4.44D-09. 3 vectors produced by pass499 Test12= 2.04D-13 1.00D-09 XBig12= 4.42D-14 5.11D-09. 3 vectors produced by pass500 Test12= 2.04D-13 1.00D-09 XBig12= 4.00D-14 4.79D-09. 3 vectors produced by pass501 Test12= 2.04D-13 1.00D-09 XBig12= 4.46D-14 5.76D-09. 3 vectors produced by pass502 Test12= 2.04D-13 1.00D-09 XBig12= 2.07D-14 3.64D-09. 3 vectors produced by pass503 Test12= 2.04D-13 1.00D-09 XBig12= 7.11D-14 5.70D-09. 3 vectors produced by pass504 Test12= 2.04D-13 1.00D-09 XBig12= 3.84D-14 4.35D-09. 3 vectors produced by pass505 Test12= 2.04D-13 1.00D-09 XBig12= 6.15D-14 6.39D-09. 3 vectors produced by pass506 Test12= 2.04D-13 1.00D-09 XBig12= 6.70D-14 7.06D-09. 3 vectors produced by pass507 Test12= 2.04D-13 1.00D-09 XBig12= 4.17D-14 4.72D-09. 3 vectors produced by pass508 Test12= 2.04D-13 1.00D-09 XBig12= 3.23D-14 3.77D-09. 3 vectors produced by pass509 Test12= 2.04D-13 1.00D-09 XBig12= 4.20D-14 4.95D-09. 3 vectors produced by pass510 Test12= 2.04D-13 1.00D-09 XBig12= 7.07D-14 6.27D-09. 3 vectors produced by pass511 Test12= 2.04D-13 1.00D-09 XBig12= 2.82D-14 4.02D-09. 3 vectors produced by pass512 Test12= 2.04D-13 1.00D-09 XBig12= 5.63D-14 4.71D-09. 3 vectors produced by pass513 Test12= 2.04D-13 1.00D-09 XBig12= 5.89D-14 6.04D-09. 3 vectors produced by pass514 Test12= 2.04D-13 1.00D-09 XBig12= 3.16D-14 4.69D-09. 3 vectors produced by pass515 Test12= 2.04D-13 1.00D-09 XBig12= 4.86D-14 5.51D-09. 3 vectors produced by pass516 Test12= 2.04D-13 1.00D-09 XBig12= 6.66D-14 6.40D-09. 3 vectors produced by pass517 Test12= 2.04D-13 1.00D-09 XBig12= 3.15D-14 4.25D-09. 3 vectors produced by pass518 Test12= 2.04D-13 1.00D-09 XBig12= 6.84D-14 6.73D-09. 3 vectors produced by pass519 Test12= 2.04D-13 1.00D-09 XBig12= 3.97D-14 5.23D-09. 3 vectors produced by pass520 Test12= 2.04D-13 1.00D-09 XBig12= 7.87D-14 7.50D-09. 3 vectors produced by pass521 Test12= 2.04D-13 1.00D-09 XBig12= 4.71D-14 5.10D-09. 3 vectors produced by pass522 Test12= 2.04D-13 1.00D-09 XBig12= 4.45D-14 5.13D-09. 3 vectors produced by pass523 Test12= 2.04D-13 1.00D-09 XBig12= 5.11D-14 5.16D-09. 3 vectors produced by pass524 Test12= 2.04D-13 1.00D-09 XBig12= 4.41D-14 5.25D-09. 3 vectors produced by pass525 Test12= 2.04D-13 1.00D-09 XBig12= 5.63D-14 5.28D-09. 3 vectors produced by pass526 Test12= 2.04D-13 1.00D-09 XBig12= 4.36D-14 5.33D-09. 3 vectors produced by pass527 Test12= 2.04D-13 1.00D-09 XBig12= 7.34D-14 7.08D-09. 3 vectors produced by pass528 Test12= 2.04D-13 1.00D-09 XBig12= 2.38D-14 3.86D-09. 3 vectors produced by pass529 Test12= 2.04D-13 1.00D-09 XBig12= 4.46D-14 4.76D-09. 3 vectors produced by pass530 Test12= 2.04D-13 1.00D-09 XBig12= 3.60D-14 4.45D-09. 3 vectors produced by pass531 Test12= 2.04D-13 1.00D-09 XBig12= 3.73D-14 4.90D-09. 3 vectors produced by pass532 Test12= 2.04D-13 1.00D-09 XBig12= 4.42D-14 5.16D-09. 3 vectors produced by pass533 Test12= 2.04D-13 1.00D-09 XBig12= 3.76D-14 4.07D-09. 3 vectors produced by pass534 Test12= 2.04D-13 1.00D-09 XBig12= 3.52D-14 4.48D-09. 3 vectors produced by pass535 Test12= 2.04D-13 1.00D-09 XBig12= 2.80D-14 3.61D-09. 3 vectors produced by pass536 Test12= 2.04D-13 1.00D-09 XBig12= 5.44D-14 5.59D-09. 3 vectors produced by pass537 Test12= 2.04D-13 1.00D-09 XBig12= 3.73D-14 5.20D-09. 3 vectors produced by pass538 Test12= 2.04D-13 1.00D-09 XBig12= 5.21D-14 6.21D-09. 3 vectors produced by pass539 Test12= 2.04D-13 1.00D-09 XBig12= 5.49D-14 4.93D-09. 3 vectors produced by pass540 Test12= 2.04D-13 1.00D-09 XBig12= 4.28D-14 4.18D-09. 3 vectors produced by pass541 Test12= 2.04D-13 1.00D-09 XBig12= 4.69D-14 5.54D-09. 3 vectors produced by pass542 Test12= 2.04D-13 1.00D-09 XBig12= 2.70D-14 3.69D-09. 3 vectors produced by pass543 Test12= 2.04D-13 1.00D-09 XBig12= 5.63D-14 5.67D-09. 3 vectors produced by pass544 Test12= 2.04D-13 1.00D-09 XBig12= 3.26D-14 4.34D-09. 3 vectors produced by pass545 Test12= 2.04D-13 1.00D-09 XBig12= 4.29D-14 4.94D-09. 3 vectors produced by pass546 Test12= 2.04D-13 1.00D-09 XBig12= 7.42D-14 5.89D-09. 2 vectors produced by pass547 Test12= 2.04D-13 1.00D-09 XBig12= 3.08D-14 4.38D-09. InvSVY: IOpt=1 It= 1 EMax= 2.16D-15 Solved reduced A of dimension 2920 with 117 vectors. End of Minotr F.D. properties file 721 does not exist. 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 5 5 5 5 5 5 5 5 5 5 5 5 53 53 53 53 53 53 53 53 53 53 53 1 6 6 6 6 1 6 1 6 1 1 6 1 1 1 0.000020073 0.000051782 -0.000127216 -0.000188390 -0.000181384 0.000181158 -0.000068759 0.000031610 0.000002657 0.000008726 -0.000010088 0.000002817 0.000007678 -0.000035226 0.000005950 -0.000037246 -0.000036680 -0.000029942 0.000122243 0.000018831 0.000095549 0.000042204 -0.000035641 -0.000029417 0.000010451 -0.000015495 0.000031246 0.000013392 0.000040369 0.000022402 -0.000030771 0.000019139 -0.000041841 0.000157124 0.000132979 -0.000090462 0.000017390 -0.000021541 0.000030294 0.000034514 0.000053103 -0.000044526 -0.000002657 -0.000000200 0.000009294 -0.000008831 -0.000003421 0.000005906 0.000010643 -0.000011711 0.000003483 0.000050560 0.000007481 -0.000038111 -0.000019325 -0.000005305 0.000005493 -0.000005047 -0.000006647 0.000002509 0.000001936 -0.000012559 0.000005266 0.000013472 -0.000014403 0.000008063 -0.000042108 0.000039047 0.000040299 -0.000016673 0.000210520 0.000029001 0.000069815 0.001209050 -0.000008121 0.004672781 -0.001109955 0.001388166 -0.004563942 -0.001153477 -0.001710358 -0.004594269 0.002769710 -0.001823972 -0.000162151 0.000040920 -0.000113149 0.004917244 0.002653736 0.001396597 0.000148402 0.000069656 0.000187708 -0.000853091 -0.002771375 0.000623753 0.000711922 -0.001168177 0.000511455 -0.000805814 -0.001170909 -0.000290001 -0.017667302 -0.000330723 -0.001032224 0.004896598 0.022469855 0.006593413 0.012809387 -0.006930738 -0.020870096 0.000329821 -0.014792131 0.015066955 0.022469855 0.004301673 8 -3846.67814895 PT5634177S 2024-04-25T05:49:47.000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 25 26 27 28 30 32 35 B B B B B B B B B B B B I I I I I I I I I I I C C C C C C C -0.083087 -0.321109 0.185413 0.092619 -0.078262 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1.28214 1.28827 1.28885 1.29347 1.30684 1.30994 1.31082 1.31509 1.31962 1.32807 1.34447 1.34722 1.34837 1.35453 1.36130 1.36673 1.36902 1.37206 1.37213 1.38012 1.38631 1.38699 1.38981 1.39147 1.39304 1.39778 1.40102 1.40498 1.40879 1.42466 1.42844 1.43219 1.43262 1.43740 1.44105 1.44411 1.44679 1.44734 1.45047 1.45491 1.46203 1.46363 1.46675 1.47187 1.47640 1.48693 1.49069 1.49104 1.49859 1.49934 1.50001 1.50500 1.51322 1.51751 1.52057 1.52117 1.52513 1.52773 1.53247 1.53564 1.53920 1.54220 1.54475 1.55281 1.55321 1.55628 1.55989 1.56809 1.57087 1.57612 1.58200 1.58688 1.59001 1.59882 1.59899 1.60083 1.60505 1.60747 1.60891 1.61671 1.62382 1.63060 1.63248 1.63560 1.64042 1.64102 1.64175 1.64192 1.64652 1.64913 1.65233 1.65931 1.66230 1.66303 1.66699 1.67125 1.67387 1.67738 1.68270 1.68488 1.68754 1.68975 1.69805 1.69827 1.70236 1.70603 1.70717 1.70994 1.71148 1.71351 1.71737 1.71967 1.72108 1.72257 1.72575 1.72901 1.73038 1.73423 1.73699 1.74375 1.74742 1.75059 1.75500 1.75994 1.76192 1.76369 1.77011 1.77101 1.77496 1.77932 1.78102 1.78223 1.79152 1.79177 1.79501 1.79566 1.79688 1.79774 1.80118 1.80924 1.81136 1.82110 1.82224 1.82413 1.82757 1.82840 1.82910 1.83166 1.83436 1.83571 1.83702 1.84131 1.84312 1.85379 1.85398 1.86072 1.87134 1.87495 1.88003 1.88566 1.89141 1.89928 1.90294 1.91101 1.91115 1.92235 1.92635 1.93433 1.93779 1.94960 1.95044 1.95165 1.95384 1.95816 1.95885 1.96297 1.96712 1.97191 1.97649 1.97661 1.98285 1.99491 1.99696 2.00538 2.01073 2.01121 2.03091 2.03585 2.04886 2.06396 2.06410 2.07422 2.08477 2.08801 2.08872 2.10020 2.11398 2.11455 2.12084 2.13403 2.13741 2.14701 2.16208 2.17483 2.18431 2.18552 2.19333 2.20233 2.20763 2.22206 2.23279 2.23864 2.24520 2.25437 2.26782 2.26936 2.27786 2.28079 2.29348 2.30157 2.30484 2.32702 2.34279 2.34392 2.35062 2.35947 2.36180 2.37065 2.37267 2.38624 2.38880 2.39077 2.39398 2.40394 2.42103 2.43830 2.44261 2.44752 2.45702 2.46045 2.47452 2.48135 2.48142 2.48557 2.49055 2.50894 2.51086 2.52894 2.53256 2.54073 2.54265 2.55387 2.56035 2.56636 2.57065 2.58094 2.58579 2.59874 2.62136 2.62302 2.63005 2.63739 2.64773 2.64919 2.66315 2.67356 2.69094 2.69098 2.69137 2.70441 2.70814 2.71953 2.72889 2.73782 2.74337 2.74700 2.75174 2.75981 2.77249 2.77458 2.78176 2.78796 2.79105 2.79389 2.79917 2.80819 2.80855 2.81842 2.82248 2.82393 2.82586 2.84575 2.84770 2.85977 2.86885 2.87726 2.88785 2.88938 2.90490 2.90591 2.90940 2.91944 2.92170 2.92592 2.93147 2.93560 2.93579 2.94051 2.94259 2.95108 2.95617 2.95669 2.97941 2.98179 2.99049 2.99359 2.99730 3.02223 3.02707 3.03980 3.04542 3.04695 3.05161 3.05814 3.06074 3.07244 3.07384 3.07581 3.08053 3.08980 3.09279 3.09838 3.10278 3.10367 3.10967 3.11449 3.11736 3.12009 3.13012 3.13021 3.13526 3.14364 3.14439 3.14641 3.15296 3.16495 3.16738 3.17302 3.17328 3.17882 3.17955 3.17973 3.18334 3.18645 3.18652 3.18957 3.19393 3.19438 3.19719 3.20259 3.20597 3.20838 3.21095 3.21323 3.21540 3.21695 3.21765 3.22160 3.22182 3.22792 3.22851 3.23152 3.23733 3.23791 3.24575 3.24604 3.25216 3.25397 3.25777 3.25930 3.26019 3.26165 3.26412 3.27024 3.27267 3.27546 3.27883 3.27954 3.28381 3.28889 3.29270 3.29491 3.29753 3.29935 3.30999 3.31320 3.31448 3.32237 3.32252 3.33087 3.33138 3.33198 3.33693 3.34072 3.34385 3.34536 3.34770 3.34906 3.35163 3.35381 3.35478 3.36057 3.36435 3.36546 3.36992 3.37377 3.37426 3.37933 3.38959 3.39252 3.40324 3.40752 3.40917 3.41580 3.41605 3.42838 3.43567 3.43734 3.43796 3.44017 3.44232 3.44326 3.45678 3.45690 3.46577 3.47273 3.48352 3.48666 3.48750 3.49709 3.49850 3.50250 3.52092 3.52515 3.52873 3.53030 3.53578 3.53741 3.54411 3.54449 3.54939 3.55618 3.56343 3.56558 3.57421 3.57751 3.57973 3.58065 3.58395 3.58661 3.60194 3.61034 3.61133 3.62510 3.63065 3.63860 3.63934 3.64325 3.64360 3.64808 3.64986 3.65718 3.66393 3.66689 3.66819 3.67641 3.68180 3.68735 3.68845 3.71225 3.71360 3.71649 3.73712 3.74117 3.74261 3.74718 3.75031 3.76368 3.77045 3.77677 3.79294 3.80267 3.81559 3.82085 3.82718 3.84456 3.86213 3.86322 3.86871 3.87326 3.87462 3.88817 3.89211 3.90345 3.91283 3.91721 3.92413 3.93621 3.94153 3.94651 3.97102 3.97639 3.99033 4.00563 4.01534 4.02604 4.02982 4.03058 4.03304 4.04311 4.04926 4.06356 4.09387 4.11404 4.14190 4.14632 4.15785 4.16124 4.17400 4.19439 4.21660 4.24547 4.25038 4.26837 4.27703 4.31173 4.32545 4.32554 4.35787 4.37233 4.37458 4.42566 4.42869 4.45927 4.46949 4.48376 4.49786 4.50240 4.53076 4.54264 4.60263 4.61009 4.65000 4.67536 4.70193 4.70263 4.74676 4.77714 4.79266 4.79380 4.81792 4.81809 4.82168 4.82953 4.83418 4.84101 4.85128 4.85627 4.86055 4.86928 4.88267 4.92176 4.94714 4.96035 4.98147 5.00283 5.00449 5.03378 5.04863 5.09303 5.09952 5.13787 5.14897 5.18727 5.19964 5.26282 5.30338 5.31225 5.33101 5.39623 5.39982 5.41227 5.42677 5.46237 5.50499 5.52233 5.56158 5.62610 5.63782 5.69092 5.70045 5.75036 5.76031 5.83964 5.89552 6.01020 6.23900 6.51752 14.78765 14.79298 14.79854 14.80357 14.80975 14.86448 14.86687 14.89550 14.92012 14.93487 15.03543 15.24077 22.97427 23.21554 23.24756 23.41156 23.43812 23.67157 24.06166 34.75108 34.75941 34.76508 34.76757 34.77492 34.78929 34.79498 34.79998 34.80415 34.80682 34.80745 34.81231 34.82588 34.82639 34.84168 34.84527 34.85450 34.87185 34.88002 34.90838 34.92766 34.93286 35.00273 35.03354 35.03762 35.04982 35.05218 35.05901 35.06911 35.07944 35.09888 35.10549 35.11011 43.16416 43.20379 43.20582 43.21613 43.21940 43.22522 43.22641 43.23496 43.24657 43.26046 43.28491 117.99678 118.00324 118.00519 118.00963 118.01451 118.01679 118.01731 118.01782 118.02609 118.02611 118.02816 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 B B B B B B B B B B B B I I I I I I I I I I I H C C C C H C H C H H C H H H -0.084600 -0.280966 0.159472 0.091448 -0.077790 -0.074228 0.126381 -0.084592 -0.086034 -0.077791 -0.074226 0.159475 -0.113874 -0.112469 -0.103520 -0.102179 -0.101251 -0.122089 -0.113875 -0.103871 -0.102178 -0.101251 -0.112471 0.133748 0.168344 -0.224806 -0.224790 -0.024778 0.183439 -0.024799 0.183434 0.013232 0.121526 0.121526 -0.231884 0.088229 0.088213 0.121846 -1.00000 0.000 0.000 0.000 0.000 0.000 0.000 1125.977 -2.898 1118.362 -5.882 -0.758 1031.669 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 9.7197 -0.0000 5.2350 11.0398 -409.6575 -447.8341 -441.0168 0.0001 18.9218 0.0000 23.1787 -14.9980 -8.1807 0.0001 18.9218 0.0000 32.7111 -0.0005 -104.4607 -42.0858 0.0017 31.9362 -32.9214 0.0006 -29.5953 0.0006 -13303.2238 -11366.6380 -11123.4631 0.0138 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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) 0 1-A -3846.678149 2.194E-9 2.813E-6 16.8691724,-11.1501409,-5.7190316,0.1420696,-14.3607237,-0.0512687 C01 [X(C7H8B12I11)] -3.7973719 -0.0210415 2.1082204 -0.000000843 0.000000035 0.000002584 -0.000000413 0.000000016 0.000000500 0.000000779 -0.000000060 0.000000943 0.000002574 -0.000000017 0.000003873 0.000001393 -0.000000148 0.000003501 0.000003026 -0.000000071 0.000001902 0.000001646 -0.000000097 -0.000000134 -0.000000949 0.000000066 0.000002631 0.000000231 0.000000094 0.000004420 0.000001108 -0.000000072 0.000003355 0.000002898 -0.000000109 0.000001889 0.000000926 0.000000025 0.000001114 -0.000003430 -0.000000113 0.000002939 0.000000801 0.000000092 -0.000000405 0.000004538 -0.000000077 0.000006062 0.000001474 -0.000000041 0.000004922 0.000005354 0.000000007 0.000001392 0.000003081 0.000000240 -0.000002562 -0.000003353 -0.000000132 0.000003012 -0.000000890 -0.000000107 0.000007050 0.000001554 -0.000000034 0.000004946 0.000005404 0.000000012 0.000001443 0.000000552 0.000000081 -0.000000371 -0.000003187 0.000000101 0.000000118 -0.000002872 0.000000236 -0.000001209 -0.000001848 -0.000000248 -0.000000993 -0.000002768 -0.000000466 -0.000001028 -0.000003135 -0.000001385 -0.000003134 -0.000002511 0.000000048 -0.000001428 -0.000001565 0.000000446 -0.000001967 -0.000002403 0.000000072 -0.000001313 0.000000768 0.000001298 -0.000005832 -0.000001754 0.000000032 -0.000004924 -0.000001830 -0.000000061 -0.000004994 -0.000000691 0.000008297 -0.000010456 -0.000003612 -0.000002929 -0.000004939 0.000001127 -0.000005003 -0.000007219 -0.000001182 -0.000000028 -0.000005690 1609.75607 AuxInfo=1/0/N:35,28,30,26,27,32,25,2,1,8,12,3,7,9,5,10,6,11,4,13,19,23,14,18,20,16,21,17,22,15/E:(2,3)(4,5)(9,10,11,12,13)(14,15,16,17,18)(20,21,22,23,24)(25,26,27,28,29)/CRV:2.3,3.3,4.3,5.3,6.3,8.6,9.6,10.6,11.6,12.6,13.6,14.6,15.6,16.6,17.6,18.6,19.6/rA:38nB6B6B6B6B6B6B6B6B6B6B6B6IIIIIIIIIIIHCC3C3C3HC3HC3HHCHHH/rB:s1;s2;;s1s4;s4s5;s2s3s6;s1s2s3;s1s4s5s8;s3s4s8s9;s3s4s6s7s10;s1s2s5s6s7;s1;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;;s2s24;s25;s25;s26;s26;s27;s27;s28s30;s28;s30;s32;s35;s35;s35;/rC:.3533,-.9018,1.4567;-1.1595,-.0034,1.2109;-.7834,1.4537,.2283;1.3466,.0205,-1.08;.9693,-1.4317,-.1224;-.177,-.8622,-1.3699;-1.5005,.0162,-.5357;.3545,.8873,1.4766;1.6726,.0008,.6735;.9711,1.4514,-.0903;-.1759,.9113,-1.3501;-.7852,-1.4388,.1961;.6442,-2.0625,3.278;-1.8364,3.3694,.3108;2.9521,.0357,-2.5348;2.0943,-3.2734,-.3398;-.5214,-1.9675,-3.2052;-3.5341,.0263,-1.3244;.6467,2.0069,3.3233;3.6796,-.0096,1.4914;2.0984,3.2961,-.2667;-.5189,2.0576,-3.1604;-1.8406,-3.3545,.2359;-1.467,-.0268,3.3225;-2.2485,-.0177,2.5564;-3.0086,1.2057,2.537;-3.0102,-1.2394,2.5097;-4.3405,1.2028,2.2315;-2.4901,2.1262,2.747;-4.342,-1.228,2.2044;-2.4928,-2.1651,2.6991;-5.0148,-.0099,2.0168;-4.8779,2.1359,2.1379;-4.8807,-2.1581,2.09;-6.4388,-.0041,1.5765;-6.9684,-.8979,1.9026;-6.9672,.8832,1.922;-6.4512,.0079,.482; Gaussian 16 GINC-PAUL27 MY119NOKO Title ES64L-G16RevC.02 108 C1[X(C7H8B12I11)] RB3LYP def2TZVPP Freq #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/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 1609.75607 AuxInfo=1/0/N:35,28,30,26,27,32,25,2,1,8,12,3,7,9,5,10,6,11,4,13,19,23,14,18,20,16,21,17,22,15/E:(2,3)(4,5)(9,10,11,12,13)(14,15,16,17,18)(20,21,22,23,24)(25,26,27,28,29)/CRV:2.3,3.3,4.3,5.3,6.3,8.6,9.6,10.6,11.6,12.6,13.6,14.6,15.6,16.6,17.6,18.6,19.6/rA:38nB6B6B6B6B6B6B6B6B6B6B6B6IIIIIIIIIIIHCC3C3C3HC3HC3HHCHHH/rB:s1;s2;;s1s4;s4s5;s2s3s6;s1s2s3;s1s4s5s8;s3s4s8s9;s3s4s6s7s10;s1s2s5s6s7;s1;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;;s2s24;s25;s25;s26;s26;s27;s27;s28s30;s28;s30;s32;s35;s35;s35;/rC:.3533,-.9018,1.4567;-1.1595,-.0034,1.2109;-.7834,1.4537,.2283;1.3466,.0205,-1.08;.9693,-1.4317,-.1224;-.177,-.8622,-1.3699;-1.5005,.0162,-.5357;.3545,.8873,1.4766;1.6726,.0008,.6735;.9711,1.4514,-.0903;-.1759,.9113,-1.3501;-.7852,-1.4388,.1961;.6442,-2.0625,3.278;-1.8364,3.3694,.3108;2.9521,.0357,-2.5348;2.0943,-3.2734,-.3398;-.5214,-1.9675,-3.2052;-3.5341,.0263,-1.3244;.6467,2.0069,3.3233;3.6796,-.0096,1.4914;2.0984,3.2961,-.2667;-.5189,2.0576,-3.1604;-1.8406,-3.3545,.2359;-1.467,-.0268,3.3225;-2.2485,-.0177,2.5564;-3.0086,1.2057,2.537;-3.0102,-1.2394,2.5097;-4.3405,1.2028,2.2315;-2.4901,2.1262,2.747;-4.342,-1.228,2.2044;-2.4928,-2.1651,2.6991;-5.0148,-.0099,2.0168;-4.8779,2.1359,2.1379;-4.8807,-2.1581,2.09;-6.4388,-.0041,1.5765;-6.9684,-.8979,1.9026;-6.9672,.8832,1.922;-6.4512,.0079,.482; Title Redundant internal coordinates found in file. (old form). Charge = -1 Multiplicity = 1 Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 1 1 1 1 1 1 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 6 6 6 6 7 7 7 8 8 8 9 9 10 10 11 12 24 25 25 26 26 27 27 28 28 30 30 32 35 35 35 2 5 8 9 12 13 3 7 8 12 25 7 8 10 11 14 5 6 9 10 11 15 6 9 12 16 7 11 12 17 11 12 18 9 10 19 10 20 11 21 22 23 25 26 27 28 29 30 31 32 33 32 34 35 36 37 38 1.7765 1.7758 1.7892 1.78 1.7815 2.1793 1.7972 1.7797 1.7765 1.7972 1.7311 1.7788 1.7815 1.7832 1.7762 2.1876 1.7799 1.7845 1.7836 1.7799 1.7845 2.1667 1.7873 1.7832 1.7832 2.1691 1.7942 1.7737 1.7762 2.1699 1.7942 1.7788 2.1812 1.78 1.7758 2.1793 1.7832 2.1672 1.7873 2.1691 2.1699 2.1876 1.0944 1.4405 1.4405 1.3664 1.0772 1.3664 1.0772 1.4042 1.0808 1.4042 1.0808 1.4904 1.0889 1.0889 1.0946 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 2 2 2 5 5 8 8 9 9 12 1 1 1 3 3 7 7 8 8 12 2 2 2 7 7 7 8 8 10 11 5 5 5 6 6 6 9 9 10 11 1 1 1 4 4 6 6 9 9 12 4 4 4 5 5 5 7 11 11 12 2 2 2 3 3 3 6 11 11 12 1 1 1 2 2 2 3 3 9 10 1 1 1 4 4 5 5 5 8 10 3 3 3 4 4 8 8 9 9 11 3 3 3 4 4 6 6 7 7 10 1 1 1 2 2 2 5 5 6 7 2 2 2 24 24 26 25 25 28 25 25 30 26 26 32 27 27 32 28 28 30 32 32 32 36 36 37 1 1 1 1 1 1 1 1 1 1 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 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 25 25 25 25 25 25 26 26 26 27 27 27 28 28 28 30 30 30 32 32 32 35 35 35 35 35 35 5 9 13 8 13 12 13 12 13 13 3 7 25 12 25 8 25 12 25 25 10 11 14 8 10 14 11 14 14 14 10 11 15 9 10 15 11 15 15 15 4 6 16 12 16 9 16 12 16 16 7 12 17 7 11 17 17 12 17 17 6 11 18 6 12 18 18 12 18 18 3 10 19 9 10 19 9 19 19 19 4 10 20 8 20 8 10 20 20 20 4 9 21 8 21 11 21 11 21 21 4 6 22 7 22 10 22 10 22 22 6 7 23 5 6 23 7 23 23 23 24 26 27 26 27 27 28 29 29 30 31 31 32 33 33 32 34 34 30 35 35 36 37 38 37 38 38 108.857 108.2932 119.9082 107.9419 122.5434 108.0408 121.5478 108.3725 122.6076 121.0714 107.9046 107.7308 115.0873 107.1723 124.2827 107.7309 129.9692 107.9046 115.0872 124.2828 107.6108 108.0522 126.063 107.5501 108.5948 121.9939 107.8873 124.0162 118.7776 117.7446 108.1838 107.9328 121.6032 108.0794 107.9328 121.8045 108.0794 121.6492 121.6031 121.8044 107.9659 107.6457 121.4922 107.9336 121.9289 107.9716 122.2216 108.1536 121.4804 121.6569 108.1843 108.0408 121.6606 107.7326 108.0843 121.9956 121.7034 108.3602 121.2546 121.7367 108.0306 108.0306 122.2461 107.336 108.7943 121.8313 121.4592 107.3361 121.4593 121.831 108.0407 107.9419 121.548 108.2932 108.857 119.9084 108.3725 121.0713 122.6075 122.5431 107.6177 108.0195 121.1898 107.6177 122.7076 108.0195 107.8863 121.9951 121.1897 121.995 107.9336 108.1536 121.6568 107.9659 121.929 107.6457 121.4922 107.9716 121.4806 122.2215 108.0407 108.3601 121.7368 108.1843 121.6607 108.0843 121.2545 107.7326 121.7033 121.9957 107.8873 107.5501 124.016 107.6107 108.0521 126.0634 108.5947 118.7772 117.7446 121.9942 95.4504 108.3292 108.329 113.1584 113.1584 116.158 121.0365 117.9769 120.97 121.0366 117.977 120.9698 120.2721 120.1467 119.5738 120.272 120.1467 119.5738 119.9142 120.0418 120.0408 111.9026 111.9033 107.8363 109.7453 107.6243 107.6245 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 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 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 5 5 5 9 9 9 13 13 13 2 2 2 8 8 8 13 13 13 5 5 5 12 12 12 13 13 13 2 2 2 12 12 12 13 13 13 8 8 8 9 9 9 13 13 13 1 1 1 12 12 12 25 25 25 1 1 1 8 8 8 25 25 25 7 7 7 12 12 12 25 25 25 3 3 3 8 8 8 25 25 25 1 1 1 3 3 3 7 7 7 8 8 8 12 12 12 8 8 8 10 10 10 14 14 14 7 7 7 11 11 11 14 14 14 2 2 2 7 7 7 14 14 14 2 2 2 8 8 8 14 14 14 10 10 10 11 11 11 15 15 15 9 9 9 10 10 10 15 15 15 6 6 6 11 11 11 15 15 15 5 5 5 6 6 6 15 15 15 5 5 5 9 9 9 15 15 15 1 1 1 9 9 9 16 16 16 6 6 6 12 12 12 16 16 16 4 4 4 9 9 9 16 16 16 4 4 4 5 5 5 17 17 17 5 5 5 12 12 12 17 17 17 4 4 4 11 11 11 17 17 17 2 2 2 12 12 12 18 18 18 3 3 3 11 11 11 18 18 18 2 2 2 3 3 3 19 19 19 1 1 1 2 2 2 19 19 19 1 1 1 5 5 5 20 20 20 8 8 8 9 9 9 21 21 21 2 2 24 24 27 27 2 2 24 24 26 26 25 25 29 29 25 25 31 31 26 26 33 33 27 27 34 34 28 28 28 30 30 30 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 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 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 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 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 25 25 25 25 25 25 25 25 25 25 25 25 26 26 26 26 27 27 27 27 28 28 28 28 30 30 30 30 32 32 32 32 32 32 2 2 2 2 2 2 2 2 2 5 5 5 5 5 5 5 5 5 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 12 12 12 12 12 12 12 12 12 3 3 3 3 3 3 3 3 3 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 12 12 12 12 12 12 12 12 12 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 6 6 6 6 6 6 6 6 6 9 9 9 9 9 9 9 9 9 12 12 12 12 12 12 12 12 12 7 7 7 7 7 7 7 7 7 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 26 26 26 26 26 26 27 27 27 27 27 27 28 28 28 28 30 30 30 30 32 32 32 32 32 32 32 32 35 35 35 35 35 35 3 7 25 3 7 25 3 7 25 4 6 16 4 6 16 4 6 16 3 10 19 3 10 19 3 10 19 4 10 20 4 10 20 4 10 20 6 7 23 6 7 23 6 7 23 10 11 14 10 11 14 10 11 14 6 11 18 6 11 18 6 11 18 9 10 19 9 10 19 9 10 19 5 6 23 5 6 23 5 6 23 24 26 27 24 26 27 24 26 27 24 26 27 24 26 27 6 12 18 6 12 18 6 12 18 1 9 19 1 9 19 1 9 19 4 9 21 4 9 21 4 9 21 4 6 22 4 6 22 4 6 22 1 12 16 1 12 16 1 12 16 7 12 17 7 12 17 7 12 17 1 8 20 1 8 20 1 8 20 3 8 21 3 8 21 3 8 21 3 7 22 3 7 22 3 7 22 7 11 17 7 11 17 7 11 17 8 10 20 8 10 20 8 10 20 2 7 23 2 7 23 2 7 23 2 3 18 2 3 18 2 3 18 3 10 22 3 10 22 3 10 22 1 2 23 1 2 23 1 2 23 4 10 22 4 10 22 4 10 22 1 5 23 1 5 23 1 5 23 4 5 20 4 5 20 4 5 20 4 11 21 4 11 21 4 11 21 3 11 21 3 11 21 3 11 21 6 7 22 6 7 22 6 7 22 28 29 28 29 28 29 30 31 30 31 30 31 32 33 32 33 32 34 32 34 30 35 30 35 28 35 28 35 36 37 38 36 37 38 -62.4751 0.5036 153.9284 1.4054 64.3841 -142.1911 149.0689 -147.9524 5.4724 63.1785 -0.2138 -148.5384 -0.1593 -63.5516 148.1238 -149.3656 147.2421 -1.0825 63.6115 0.0 -149.5749 0.0 -63.6114 146.8137 -146.8135 149.5751 0.0002 -64.3098 -1.0887 146.9325 -0.0122 63.2089 -148.7699 149.0855 -147.6934 0.3278 63.0493 -0.9378 -153.0506 -0.2859 -64.273 143.6142 -149.9483 146.0646 -6.0482 -1.1846 62.4838 -150.0521 -64.2177 -0.5492 146.9149 138.2366 -158.095 -10.6309 -0.5965 -63.2353 148.084 63.2351 0.5964 -148.0844 -148.6808 148.6805 -0.0002 -64.384 -0.5035 147.9523 -1.4053 62.4752 -149.069 142.1913 -153.9282 -5.4724 64.2176 0.5492 -146.9152 1.1845 -62.4839 150.0517 -138.2367 158.095 10.6306 33.7788 150.3805 -82.8228 -103.1061 13.4956 140.2923 179.9985 -63.3998 63.3969 -33.782 82.8197 -150.3836 103.103 -140.2954 -13.4986 -64.5647 -1.5317 148.5806 -1.3677 61.6653 -148.2224 142.6378 -154.3292 -4.2169 0.9377 64.273 -146.0649 -63.0495 0.2858 149.948 153.0501 -143.6146 6.0475 64.048 0.5152 -147.4574 0.9116 -62.6213 149.4061 -144.4308 152.0364 4.0637 -63.3869 0.3435 148.3437 -0.4735 63.2569 -148.7429 146.0353 -150.2343 -2.2341 0.2583 63.7515 -147.8575 -63.4022 0.091 148.482 148.4399 -148.067 0.3241 62.7423 -0.4827 -148.781 -0.7545 -63.9796 147.7221 -148.8352 147.9398 -0.3585 0.3047 -63.3418 148.4815 63.3418 -0.3047 -148.4814 -148.1768 148.1767 0.0001 -63.7514 -0.2583 147.8576 -0.091 63.4022 -148.4819 148.067 -148.4399 -0.3239 63.9795 0.7545 -147.722 0.4827 -62.7423 148.7812 -147.9398 148.8352 0.3586 -0.1565 63.6449 -148.4054 -63.5328 0.2686 148.2183 147.8868 -148.3118 -0.362 62.7521 -0.4338 -149.5377 -0.3476 -63.5334 147.3626 -148.3878 148.4263 -0.6776 -64.048 -0.9116 144.4308 -0.5151 62.6213 -152.0363 147.4574 -149.4062 -4.0638 -62.7119 1.3077 148.3118 0.4667 64.4863 -148.5096 148.8276 -147.1527 -0.1487 -63.5819 0.0 148.234 0.0 63.5819 -148.1841 148.1843 -148.2339 0.0001 0.4736 63.3869 -146.0349 -63.2568 -0.3435 150.2347 148.7429 -148.3438 2.2344 62.712 -0.4666 -148.8276 -1.3077 -64.4863 147.1527 -148.3115 148.5099 0.1488 1.5317 -61.6653 154.3295 64.5647 1.3677 -142.6376 -148.5807 148.2223 4.2171 64.3099 1.0887 -146.9326 0.0123 -63.2088 148.7698 -149.0852 147.6937 -0.3276 0.1592 63.5515 -148.1241 -63.1786 0.2137 148.5381 149.3656 -147.2421 1.0823 0.3475 -62.7521 148.3878 63.5334 0.4338 -148.4263 -147.3627 149.5378 0.6776 -63.6448 0.1565 148.4054 -0.2686 63.5327 -148.2184 148.3119 -147.8868 0.3621 109.9338 -68.5997 -145.557 35.9094 -12.1927 169.2737 -109.9337 68.5993 145.5573 -35.9098 12.193 -169.2741 4.2612 -174.7419 -177.2492 3.7477 -4.2616 174.7418 177.2494 -3.7472 4.2984 -175.0572 -176.6928 3.9516 -4.2982 175.0574 176.6926 -3.9518 -152.1329 -28.4841 89.6919 28.5123 152.1611 -89.6629 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 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 Berny optimization. local minimum Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. 0.00070 0.00456 0.00809 0.01070 0.01171 0.01221 0.01236 0.01242 0.01287 0.01409 0.01450 0.01507 0.01530 0.01581 0.01583 0.01594 0.01636 0.01749 0.01809 0.02030 0.02070 0.02092 0.02139 0.02164 0.02164 0.02182 0.02217 0.02228 0.02246 0.02285 0.02300 0.02338 0.02353 0.02425 0.02500 0.02538 0.02580 0.02649 0.02711 0.02802 0.02925 0.03033 0.03062 0.03490 0.03514 0.03545 0.03610 0.03624 0.03645 0.03673 0.03799 0.03953 0.04007 0.04859 0.05259 0.05786 0.06192 0.06636 0.06780 0.06877 0.06878 0.06966 0.07840 0.08181 0.08568 0.08615 0.08886 0.09413 0.10920 0.11320 0.11817 0.11852 0.12215 0.12716 0.13015 0.13030 0.13358 0.13616 0.13691 0.13753 0.13993 0.14040 0.14056 0.14063 0.14083 0.14147 0.14316 0.14415 0.17557 0.19649 0.20213 0.23342 0.26124 0.30828 0.31901 0.31917 0.32994 0.33954 0.34413 0.35323 0.35910 0.36097 0.37143 0.37334 0.39248 0.43082 0.44769 0.53266 Angle between quadratic step and forces= 79.51 degrees. 1 2 0.00003795 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 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 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 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2.13360 1.87337 1.89882 2.12636 2.11986 1.87337 2.11986 2.12635 1.88567 1.88394 2.12141 1.89007 1.89991 2.09279 1.89146 2.11309 2.13991 2.13878 1.87828 1.88530 2.11516 1.87828 2.14165 1.88530 1.88297 2.12922 2.11516 2.12921 1.88380 1.88764 2.12331 1.88436 2.12806 1.87877 2.12044 1.88446 2.12024 2.13317 1.88567 1.89124 2.12471 1.88817 2.12338 1.88643 2.11629 1.88029 2.12412 2.12923 1.88299 1.87710 2.16449 1.87816 1.88587 2.20022 1.89534 2.07306 2.05503 2.12920 1.66592 1.89069 1.89069 1.97499 1.97499 2.02734 2.11248 2.05909 2.11132 2.11248 2.05909 2.11132 2.09914 2.09696 2.08696 2.09914 2.09696 2.08696 2.09290 2.09512 2.09512 1.95306 1.95306 1.88214 1.91540 1.87841 1.87841 -1.09040 0.00879 2.68656 0.02453 1.12371 -2.48170 2.60174 -2.58226 0.09551 1.10267 -0.00373 -2.59248 -0.00278 -1.10918 2.58525 -2.60692 2.56986 -0.01889 1.11023 -0.00000 -2.61058 0.00000 -1.11023 2.56238 -2.56238 2.61058 -0.00000 -1.12242 -0.01900 2.56446 -0.00021 1.10320 -2.59652 2.60203 -2.57774 0.00572 1.10042 -0.01637 -2.67123 -0.00499 -1.12178 2.50654 -2.61709 2.54931 -0.10555 -0.02067 1.09055 -2.61890 -1.12081 -0.00959 2.56415 2.41268 -2.75928 -0.18555 -0.01041 -1.10366 2.58456 1.10366 0.01041 -2.58456 -2.59497 2.59497 -0.00000 -1.12371 -0.00879 2.58225 -0.02453 1.09040 -2.60174 2.48170 -2.68656 -0.09551 1.12081 0.00959 -2.56415 0.02067 -1.09055 2.61890 -2.41268 2.75928 0.18555 0.58958 2.62466 -1.44551 -1.79951 0.23558 2.44859 -3.14159 -1.10651 1.10651 -0.58958 1.44551 -2.62466 1.79951 -2.44859 -0.23557 -1.12687 -0.02673 2.59322 -0.02387 1.07626 -2.58697 2.48950 -2.69356 -0.07360 0.01637 1.12178 -2.54931 -1.10042 0.00499 2.61709 2.67123 -2.50654 0.10555 1.11785 0.00899 -2.57362 0.01591 -1.09295 2.60763 -2.52079 2.65354 0.07093 -1.10631 0.00600 2.58909 -0.00826 1.10404 -2.59605 2.54879 -2.62209 -0.03899 0.00451 1.11267 -2.58060 -1.10658 0.00159 2.59150 2.59076 -2.58426 0.00565 1.09506 -0.00842 -2.59672 -0.01317 -1.11665 2.57824 -2.59766 2.58204 -0.00626 0.00532 -1.10552 2.59149 1.10552 -0.00532 -2.59149 -2.58617 2.58617 0.00000 -1.11267 -0.00451 2.58060 -0.00159 1.10658 -2.59150 2.58426 -2.59076 -0.00565 1.11665 0.01317 -2.57824 0.00842 -1.09506 2.59672 -2.58204 2.59766 0.00626 -0.00273 1.11081 -2.59016 -1.10886 0.00469 2.58690 2.58111 -2.58853 -0.00632 1.09523 -0.00757 -2.60993 -0.00607 -1.10887 2.57196 -2.58986 2.59053 -0.01183 -1.11785 -0.01591 2.52079 -0.00899 1.09295 -2.65353 2.57362 -2.60763 -0.07093 -1.09453 0.02282 2.58853 0.00814 1.12550 -2.59198 2.59753 -2.56830 -0.00260 -1.10971 -0.00000 2.58717 0.00000 1.10971 -2.58630 2.58630 -2.58717 0.00000 0.00826 1.10631 -2.54879 -1.10404 -0.00600 2.62209 2.59605 -2.58909 0.03899 1.09453 -0.00814 -2.59753 -0.02282 -1.12550 2.56830 -2.58853 2.59198 0.00260 0.02673 -1.07626 2.69356 1.12687 0.02387 -2.48950 -2.59322 2.58697 0.07360 1.12242 0.01900 -2.56446 0.00021 -1.10320 2.59652 -2.60203 2.57774 -0.00572 0.00278 1.10918 -2.58525 -1.10267 0.00373 2.59248 2.60692 -2.56986 0.01889 0.00607 -1.09523 2.58986 1.10887 0.00757 -2.59053 -2.57196 2.60993 0.01183 -1.11081 0.00273 2.59016 -0.00469 1.10886 -2.58690 2.58853 -2.58111 0.00632 1.91869 -1.19730 -2.54047 0.62673 -0.21281 2.95439 -1.91869 1.19730 2.54047 -0.62673 0.21281 -2.95439 0.07438 -3.04981 -3.09359 0.06541 -0.07438 3.04981 3.09359 -0.06541 0.07502 -3.05537 -3.08387 0.06892 -0.07502 3.05537 3.08387 -0.06892 -2.65541 -0.49738 1.56520 0.49739 2.65542 -1.56518 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000005 0.000000 0.000442 0.000038 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -4.974814e-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 1 1 1 1 1 1 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 6 6 6 6 7 7 7 8 8 8 9 9 10 10 11 12 24 25 25 26 26 27 27 28 28 30 30 32 35 35 35 2 5 8 9 12 13 3 7 8 12 25 7 8 10 11 14 5 6 9 10 11 15 6 9 12 16 7 11 12 17 11 12 18 9 10 19 10 20 11 21 22 23 25 26 27 28 29 30 31 32 33 32 34 35 36 37 38 1.7765 1.7758 1.7892 1.78 1.7815 2.1793 1.7972 1.7797 1.7765 1.7972 1.7311 1.7788 1.7815 1.7832 1.7762 2.1876 1.7799 1.7845 1.7836 1.7799 1.7845 2.1667 1.7873 1.7832 1.7832 2.1691 1.7942 1.7737 1.7762 2.1699 1.7942 1.7788 2.1812 1.78 1.7758 2.1793 1.7832 2.1672 1.7873 2.1691 2.1699 2.1876 1.0944 1.4405 1.4405 1.3664 1.0772 1.3664 1.0772 1.4042 1.0808 1.4042 1.0808 1.4904 1.0889 1.0889 1.0946 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 2 5 5 8 8 9 9 12 1 1 1 3 3 7 7 8 8 12 2 2 2 7 7 7 8 8 10 11 5 5 5 6 6 6 9 9 10 11 1 1 1 4 4 6 6 9 9 12 4 4 4 5 5 5 7 11 11 12 2 2 2 3 3 3 6 11 11 12 1 1 1 2 2 2 3 3 9 10 1 1 1 4 4 5 5 5 8 10 3 3 3 4 4 8 8 9 9 11 3 3 3 4 4 6 6 7 7 10 1 1 1 2 2 2 5 5 6 7 2 2 2 24 24 26 25 25 28 25 25 30 26 26 32 27 27 32 28 28 30 32 32 32 36 36 37 1 1 1 1 1 1 1 1 1 1 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 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 25 25 25 25 25 25 26 26 26 27 27 27 28 28 28 30 30 30 32 32 32 35 35 35 35 35 35 5 9 13 8 13 12 13 12 13 13 3 7 25 12 25 8 25 12 25 25 10 11 14 8 10 14 11 14 14 14 10 11 15 9 10 15 11 15 15 15 4 6 16 12 16 9 16 12 16 16 7 12 17 7 11 17 17 12 17 17 6 11 18 6 12 18 18 12 18 18 3 10 19 9 10 19 9 19 19 19 4 10 20 8 20 8 10 20 20 20 4 9 21 8 21 11 21 11 21 21 4 6 22 7 22 10 22 10 22 22 6 7 23 5 6 23 7 23 23 23 24 26 27 26 27 27 28 29 29 30 31 31 32 33 33 32 34 34 30 35 35 36 37 38 37 38 38 108.857 108.2932 119.9082 107.9419 122.5434 108.0408 121.5478 108.3725 122.6076 121.0714 107.9046 107.7308 115.0873 107.1723 124.2827 107.7309 129.9692 107.9046 115.0872 124.2828 107.6108 108.0522 126.063 107.5501 108.5948 121.9939 107.8873 124.0162 118.7776 117.7446 108.1838 107.9328 121.6032 108.0794 107.9328 121.8045 108.0794 121.6492 121.6031 121.8044 107.9659 107.6457 121.4922 107.9336 121.9289 107.9716 122.2216 108.1536 121.4804 121.6569 108.1843 108.0408 121.6606 107.7326 108.0843 121.9956 121.7034 108.3602 121.2546 121.7367 108.0306 108.0306 122.2461 107.336 108.7943 121.8313 121.4592 107.3361 121.4593 121.831 108.0407 107.9419 121.548 108.2932 108.857 119.9084 108.3725 121.0713 122.6075 122.5431 107.6177 108.0195 121.1898 107.6177 122.7076 108.0195 107.8863 121.9951 121.1897 121.995 107.9336 108.1536 121.6568 107.9659 121.929 107.6457 121.4922 107.9716 121.4806 122.2215 108.0407 108.3601 121.7368 108.1843 121.6607 108.0843 121.2545 107.7326 121.7033 121.9957 107.8873 107.5501 124.016 107.6107 108.0521 126.0634 108.5947 118.7772 117.7446 121.9942 95.4504 108.3292 108.329 113.1584 113.1584 116.158 121.0365 117.9769 120.97 121.0366 117.977 120.9698 120.2721 120.1467 119.5738 120.272 120.1467 119.5738 119.9142 120.0418 120.0408 111.9026 111.9033 107.8363 109.7453 107.6243 107.6245 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 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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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 5 5 5 9 9 9 13 13 13 2 2 2 8 8 8 13 13 13 5 5 5 12 12 12 13 13 13 2 2 2 12 12 12 13 13 13 8 8 8 9 9 9 13 13 13 1 1 1 12 12 12 25 25 25 1 1 1 8 8 8 25 25 25 7 7 7 12 12 12 25 25 25 3 3 3 8 8 8 25 25 25 1 1 1 3 3 3 7 7 7 8 8 8 12 12 12 8 8 8 10 10 10 14 14 14 7 7 7 11 11 11 14 14 14 2 2 2 7 7 7 14 14 14 2 2 2 8 8 8 14 14 14 10 10 10 11 11 11 15 15 15 9 9 9 10 10 10 15 15 15 6 6 6 11 11 11 15 15 15 5 5 5 6 6 6 15 15 15 5 5 5 9 9 9 15 15 15 1 1 1 9 9 9 16 16 16 6 6 6 12 12 12 16 16 16 4 4 4 9 9 9 16 16 16 4 4 4 5 5 5 17 17 17 5 5 5 12 12 12 17 17 17 4 4 4 11 11 11 17 17 17 2 2 2 12 12 12 18 18 18 3 3 3 11 11 11 18 18 18 2 2 2 3 3 3 19 19 19 1 1 1 2 2 2 19 19 19 1 1 1 5 5 5 20 20 20 8 8 8 9 9 9 21 21 21 2 2 24 24 27 27 2 2 24 24 26 26 25 25 29 29 25 25 31 31 26 26 33 33 27 27 34 34 28 28 28 30 30 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 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-13.4986 -64.5647 -1.5317 148.5806 -1.3677 61.6653 -148.2224 142.6378 -154.3292 -4.2169 0.9377 64.273 -146.0649 -63.0495 0.2858 149.948 153.0501 -143.6146 6.0475 64.048 0.5152 -147.4574 0.9116 -62.6213 149.4061 -144.4308 152.0364 4.0637 -63.3869 0.3435 148.3437 -0.4735 63.2569 -148.7429 146.0353 -150.2343 -2.2341 0.2583 63.7515 -147.8575 -63.4022 0.091 148.482 148.4399 -148.067 0.3241 62.7423 -0.4827 -148.781 -0.7545 -63.9796 147.7221 -148.8352 147.9398 -0.3585 0.3047 -63.3418 148.4815 63.3418 -0.3047 -148.4814 -148.1768 148.1767 0.0001 -63.7514 -0.2583 147.8576 -0.091 63.4022 -148.4819 148.067 -148.4399 -0.3239 63.9795 0.7545 -147.722 0.4827 -62.7423 148.7812 -147.9398 148.8352 0.3586 -0.1565 63.6449 -148.4054 -63.5328 0.2686 148.2183 147.8868 -148.3118 -0.362 62.7521 -0.4338 -149.5377 -0.3476 -63.5334 147.3626 -148.3878 148.4263 -0.6776 -64.048 -0.9116 144.4308 -0.5151 62.6213 -152.0363 147.4574 -149.4062 -4.0638 -62.7119 1.3077 148.3118 0.4667 64.4863 -148.5096 148.8276 -147.1527 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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 1 def2TZVPP (5D, 7F) 1453 A 1251 A 1251 2304 1453 193 193 8003.8002607223 38 38 38 1.00e+00 60 F 0.000000 1.776514 0.000000 2.889471 1.797200 0.000000 2.876017 3.395380 2.881375 0.000000 1.775838 2.889447 3.394095 1.779882 0.000000 2.876146 2.891890 2.878403 1.784494 1.787285 0.000000 2.872108 1.779685 1.778807 2.898592 2.892547 1.794179 0.000000 1.789160 1.776513 1.781496 2.876016 2.883091 3.383130 2.872108 0.000000 1.780016 2.882632 2.888113 1.783593 1.783240 2.888096 3.395734 1.780015 0.000000 2.883092 2.889447 1.783194 1.779882 2.883261 2.882413 2.892548 1.775838 1.783241 0.000000 3.383130 2.891890 1.776157 1.784494 2.882413 1.773658 1.794180 2.876146 2.888097 1.787285 0.000000 1.781496 1.797202 2.892596 2.881376 1.783194 1.776157 1.778807 2.889472 2.888113 3.394097 2.878405 0.000000 2.179305 3.430187 4.868507 4.881030 3.473717 4.870145 4.844130 3.468513 3.478317 4.878576 5.562053 3.454067 0.000000 4.934635 3.555884 2.187596 4.824972 5.577570 4.846097 3.474648 3.509942 4.877730 3.423628 3.399701 4.923048 6.668088 0.000000 4.854291 5.562059 4.857932 2.166692 3.450269 3.457511 4.880785 4.854290 3.454170 3.450268 3.457510 4.857934 6.596832 6.491566 0.000000 3.447134 4.866609 5.563142 3.457795 2.169058 3.468904 4.876675 4.861821 3.453187 4.862871 4.866829 3.456086 4.081413 7.745932 4.062459 0.000000 4.861479 4.875063 4.854055 3.458042 3.465964 2.169942 3.466947 5.553018 4.871541 4.859949 3.442133 3.452258 6.587874 6.524842 4.065382 4.093587 0.000000 4.869093 3.473837 3.466230 4.886799 4.883736 3.473006 2.181242 4.869096 5.576953 4.883739 3.473009 3.466226 6.557736 4.090564 6.598181 6.598162 4.072930 0.000000 3.468517 3.430191 3.454067 4.881028 4.878577 5.562054 4.844133 2.179306 3.478316 3.473713 4.870143 4.868511 4.069633 4.134948 6.596827 6.587483 7.731872 6.557742 0.000000 3.443983 4.847177 4.863617 3.472114 3.460098 4.877174 5.562628 3.443982 2.167240 3.460097 4.877174 4.863618 4.076818 6.575491 4.091619 4.064317 6.598440 7.743862 4.076813 0.000000 4.861823 4.866607 3.456084 3.457796 4.862872 4.866829 4.876674 3.447134 3.453190 2.169057 3.468902 5.563144 6.587484 3.977587 4.062459 6.569891 6.572950 6.598164 4.081406 4.064320 0.000000 5.553018 4.875062 3.452259 3.458043 4.859948 3.442132 3.466946 4.861480 4.871543 3.465966 2.169942 4.854055 7.731872 3.937711 4.065384 6.572951 4.025368 4.072932 6.587872 6.598441 4.093587 0.000000 3.509940 3.555892 4.923053 4.824971 3.423623 3.399701 3.474655 4.934638 4.877726 5.577572 4.846101 2.187596 4.134946 6.724359 6.491562 3.977579 3.937710 4.090567 6.668097 6.575487 7.745933 6.524845 0.000000 2.749702 2.134091 3.497611 5.224992 4.447120 4.937720 3.858665 2.749719 4.108017 4.447137 4.937730 3.497591 2.933155 4.554238 7.337651 6.052782 6.875467 5.086261 2.933200 5.462703 6.052809 6.875481 4.554207 0.000000 2.959821 1.731095 3.119529 5.113617 4.419189 4.518861 3.181514 2.959820 4.349833 4.419187 4.518860 3.119533 3.615176 4.084758 7.278015 6.151993 6.323016 4.088476 3.615180 6.023003 6.151987 6.323013 4.084774 1.094419 0.000000 4.112342 2.576819 3.216052 5.783998 5.463662 5.249572 3.623660 3.540663 5.180611 4.775051 4.818802 4.173286 4.957163 3.318385 7.913417 7.374119 7.016262 4.071557 3.823870 6.877683 6.189680 6.275716 5.239750 2.124308 1.440470 0.000000 3.540694 2.576816 4.173263 5.784001 4.775071 4.818795 3.623632 4.112352 5.180632 5.463659 5.249553 3.216060 3.823929 5.239697 7.913423 6.189718 6.275703 4.071496 4.957189 6.877719 7.374113 7.016226 3.318412 2.124308 1.440470 2.445279 0.000000 5.202079 3.551848 4.090035 6.686267 6.377681 5.879554 4.139000 4.765707 6.326915 5.802176 5.500652 4.874491 6.050161 3.828015 8.789860 8.249492 7.361667 3.831358 5.168242 8.144881 7.216774 6.663927 5.567909 3.310433 2.443700 1.366414 2.794926 0.000000 4.349544 2.943734 3.115881 5.813714 5.732258 5.588347 4.025865 3.352649 5.113222 4.526048 4.859823 4.703451 5.258420 2.812097 7.866689 7.726578 7.487488 4.698528 3.191549 6.648526 5.612926 6.227952 6.063492 2.452192 2.165905 1.077200 3.413851 2.131265 0.000000 4.765739 3.551843 4.874450 6.686266 5.802205 5.500652 4.138971 5.202074 6.326929 6.377662 5.879523 4.090060 5.168308 5.567815 8.789860 7.216833 6.663931 3.831290 6.050161 8.144909 8.249457 7.361610 3.828094 3.310433 2.443699 2.794928 1.366412 2.431025 3.869773 0.000000 3.352690 2.943726 4.703432 5.813717 4.526064 4.859796 4.025816 4.349572 5.113257 5.732266 5.588321 3.115863 3.191645 6.063450 7.866695 5.612960 6.227905 4.698430 5.258482 6.648591 7.726592 7.487442 2.812060 2.452194 2.165906 3.413852 1.077199 3.869772 4.291545 2.131262 0.000000 5.470534 3.938738 4.821404 7.075216 6.512097 5.966680 4.343633 5.470512 6.821083 6.512067 5.966660 4.821446 6.150481 4.942987 9.175610 8.169676 7.161900 3.654856 6.150442 8.710303 8.169618 7.161859 4.943096 3.780509 2.818495 2.402742 2.402741 1.404159 3.386841 1.404160 3.386839 0.000000 6.087446 4.388918 4.569075 7.319350 7.212850 6.587199 4.800821 5.419757 7.043601 6.296312 5.981181 5.770460 7.029914 3.756400 9.356983 9.165682 8.022760 4.271247 5.651853 8.845974 7.469700 6.861371 6.556470 4.208862 3.424450 2.125703 3.875451 1.080809 2.464302 3.406972 4.949901 2.153565 0.000000 5.419799 4.388912 5.770413 7.319350 6.296348 5.981175 4.800780 6.087447 7.043625 7.212831 6.587160 4.569098 5.651944 6.556365 9.356986 7.469777 6.861363 4.271141 7.029926 8.846020 9.165649 8.022686 3.756485 4.208861 3.424450 3.875453 2.125702 3.406972 4.949903 1.080809 2.464297 2.153567 4.294201 0.000000 6.852215 5.291943 5.993801 8.226103 7.733251 6.973344 5.371099 6.852192 8.161504 7.733217 6.973321 5.993845 7.569689 5.845045 10.251478 9.336654 7.857154 4.105296 7.569646 10.118704 9.336587 7.857104 5.845166 5.269461 4.303327 3.761888 3.761878 2.507696 4.636844 2.507683 4.636829 1.490440 2.707567 2.707547 0.000000 7.335320 5.917973 6.825483 8.881306 8.209262 7.538800 6.056333 7.549376 8.774158 8.516251 7.745454 6.437085 7.823021 6.861611 10.907709 9.633431 8.294381 4.802283 8.273270 10.692895 10.222653 8.715797 5.925126 5.748093 4.845604 4.528535 4.019018 3.380474 5.469381 2.664185 4.719189 2.148962 3.691851 2.445748 1.088934 0.000000 7.549324 5.917860 6.436817 8.881092 8.516150 7.745269 6.056118 7.335164 8.774015 8.209009 7.538510 6.825411 8.273357 5.924709 10.907463 10.222628 8.715614 4.802004 7.822905 10.692782 9.633106 8.293977 6.861698 5.748136 4.845603 4.018971 4.528602 2.664112 4.719117 3.380566 5.469477 2.148980 2.445592 3.691991 1.088947 1.781235 0.000000 6.933926 5.341716 5.854800 7.952693 7.582948 6.599438 5.054279 6.933967 8.126102 7.583007 6.599479 5.854724 7.902444 5.711927 9.875442 9.190600 7.256739 3.431202 7.902529 10.180970 9.190706 7.256821 5.711763 5.736884 4.686842 4.184370 4.184206 2.990644 5.030717 2.990417 5.030477 2.102157 3.121797 3.121414 1.094629 1.762325 1.762338 0.000000 C7H8B12I11(1-) 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 1609.75607 AuxInfo=1/0/N:35,28,30,26,27,32,25,2,1,8,12,3,7,9,5,10,6,11,4,13,19,23,14,18,20,16,21,17,22,15/E:(2,3)(4,5)(9,10,11,12,13)(14,15,16,17,18)(20,21,22,23,24)(25,26,27,28,29)/CRV:2.3,3.3,4.3,5.3,6.3,8.6,9.6,10.6,11.6,12.6,13.6,14.6,15.6,16.6,17.6,18.6,19.6/rA:38nB6B6B6B6B6B6B6B6B6B6B6B6IIIIIIIIIIIHCC3C3C3HC3HC3HHCHHH/rB:s1;s2;;s1s4;s4s5;s2s3s6;s1s2s3;s1s4s5s8;s3s4s8s9;s3s4s6s7s10;s1s2s5s6s7;s1;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;;s2s24;s25;s25;s26;s26;s27;s27;s28s30;s28;s30;s32;s35;s35;s35;/rC:-.3305,.8945,1.4734;1.1795,0,1.1983;.7917,-1.4463,.2044;-1.3556,0,-1.0604;-.9668,1.4416,-.0916;.1636,.8869,-1.36;1.4982,.0001,-.5527;-.3305,-.8946,1.4734;-1.6592,-.0001,.6971;-.9668,-1.4416,-.0917;.1637,-.8868,-1.36;.7916,1.4463,.2045;-.5986,2.0347,3.3112;1.8466,-3.3621,.252;-2.9796,0,-2.4947;-2.0955,3.2849,-.2741;.484,2.0128,-3.1871;3.5215,.0001,-1.3674;-.5985,-2.0349,3.3111;-3.6556,-.0001,1.5407;-2.0953,-3.285,-.2743;.4841,-2.0126,-3.1872;1.8464,3.3622,.2522;1.514,0,3.306;2.2857,0,2.5298;3.0461,-1.2227,2.487;3.0461,1.2226,2.4871;4.3739,-1.2155,2.1646;2.5307,-2.1458,2.6934;4.3739,1.2155,2.1647;2.5307,2.1458,2.6934;5.0449,0,1.9549;4.9106,-2.1471,2.0537;4.9105,2.1471,2.0537;6.463,0,1.4964;6.9964,.8905,1.8256;6.9963,-.8907,1.8251;6.4615,.0003,.4017; 0.0333457 0.0321873 0.0308997 1 -3846.67814895 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=11111111111111111111111111111111111111 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 117 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 117 vectors produced by pass 0 Test12= 2.04D-13 1.00D-09 XBig12= 9.25D+02 8.37D+00. AX will form 57 AO Fock derivatives at one time. 114 vectors produced by pass 1 Test12= 2.04D-13 1.00D-09 XBig12= 1.85D+02 1.68D+00. 114 vectors produced by pass 2 Test12= 2.04D-13 1.00D-09 XBig12= 6.20D+00 2.51D-01. 114 vectors produced by pass 3 Test12= 2.04D-13 1.00D-09 XBig12= 1.58D-01 3.33D-02. 114 vectors produced by pass 4 Test12= 2.04D-13 1.00D-09 XBig12= 2.33D-03 4.82D-03. 114 vectors produced by pass 5 Test12= 2.04D-13 1.00D-09 XBig12= 1.76D-05 3.60D-04. 104 vectors produced by pass 6 Test12= 2.04D-13 1.00D-09 XBig12= 5.92D-08 2.36D-05. 75 vectors produced by pass 7 Test12= 2.04D-13 1.00D-09 XBig12= 1.86D-10 1.16D-06. 3 vectors produced by pass 8 Test12= 2.04D-13 1.00D-09 XBig12= 5.64D-13 9.73D-08. 3 vectors produced by pass 9 Test12= 2.04D-13 1.00D-09 XBig12= 1.63D-14 5.52D-09. 3 vectors produced by pass 10 Test12= 2.04D-13 1.00D-09 XBig12= 6.67D-13 4.35D-08. 3 vectors produced by pass 11 Test12= 2.04D-13 1.00D-09 XBig12= 2.41D-12 7.91D-08. 3 vectors produced by pass 12 Test12= 2.04D-13 1.00D-09 XBig12= 2.87D-12 8.63D-08. 3 vectors produced by pass 13 Test12= 2.04D-13 1.00D-09 XBig12= 1.62D-13 1.57D-08. 3 vectors produced by pass 14 Test12= 2.04D-13 1.00D-09 XBig12= 2.55D-13 2.32D-08. 3 vectors produced by pass 15 Test12= 2.04D-13 1.00D-09 XBig12= 1.69D-13 1.61D-08. 3 vectors produced by pass 16 Test12= 2.04D-13 1.00D-09 XBig12= 2.11D-13 2.45D-08. 3 vectors produced by pass 17 Test12= 2.04D-13 1.00D-09 XBig12= 3.02D-13 1.79D-08. 3 vectors produced by pass 18 Test12= 2.04D-13 1.00D-09 XBig12= 1.42D-13 1.33D-08. 3 vectors produced by pass 19 Test12= 2.04D-13 1.00D-09 XBig12= 3.70D-13 2.76D-08. 3 vectors produced by pass 20 Test12= 2.04D-13 1.00D-09 XBig12= 1.65D-13 1.90D-08. 3 vectors produced by pass 21 Test12= 2.04D-13 1.00D-09 XBig12= 1.10D-13 1.56D-08. 3 vectors produced by pass 22 Test12= 2.04D-13 1.00D-09 XBig12= 8.70D-14 1.39D-08. 3 vectors produced by pass 23 Test12= 2.04D-13 1.00D-09 XBig12= 8.56D-14 1.53D-08. 3 vectors produced by pass 24 Test12= 2.04D-13 1.00D-09 XBig12= 7.00D-14 8.93D-09. 3 vectors produced by pass 25 Test12= 2.04D-13 1.00D-09 XBig12= 2.53D-14 6.05D-09. 3 vectors produced by pass 26 Test12= 2.04D-13 1.00D-09 XBig12= 1.52D-13 1.41D-08. 3 vectors produced by pass 27 Test12= 2.04D-13 1.00D-09 XBig12= 7.27D-14 1.05D-08. 3 vectors produced by pass 28 Test12= 2.04D-13 1.00D-09 XBig12= 1.64D-13 2.02D-08. 3 vectors produced by pass 29 Test12= 2.04D-13 1.00D-09 XBig12= 4.07D-14 7.71D-09. 3 vectors produced by pass 30 Test12= 2.04D-13 1.00D-09 XBig12= 2.60D-13 2.15D-08. 3 vectors produced by pass 31 Test12= 2.04D-13 1.00D-09 XBig12= 8.37D-14 9.26D-09. 3 vectors produced by pass 32 Test12= 2.04D-13 1.00D-09 XBig12= 1.78D-13 2.04D-08. 3 vectors produced by pass 33 Test12= 2.04D-13 1.00D-09 XBig12= 8.24D-14 1.16D-08. 3 vectors produced by pass 34 Test12= 2.04D-13 1.00D-09 XBig12= 2.81D-13 2.49D-08. 3 vectors produced by pass 35 Test12= 2.04D-13 1.00D-09 XBig12= 6.82D-14 9.62D-09. 3 vectors produced by pass 36 Test12= 2.04D-13 1.00D-09 XBig12= 3.01D-13 3.22D-08. 3 vectors produced by pass 37 Test12= 2.04D-13 1.00D-09 XBig12= 7.11D-14 9.50D-09. 3 vectors produced by pass 38 Test12= 2.04D-13 1.00D-09 XBig12= 2.32D-13 1.97D-08. 3 vectors produced by pass 39 Test12= 2.04D-13 1.00D-09 XBig12= 5.62D-14 8.17D-09. 3 vectors produced by pass 40 Test12= 2.04D-13 1.00D-09 XBig12= 1.46D-13 1.63D-08. 3 vectors produced by pass 41 Test12= 2.04D-13 1.00D-09 XBig12= 8.28D-14 1.18D-08. 3 vectors produced by pass 42 Test12= 2.04D-13 1.00D-09 XBig12= 1.42D-13 1.56D-08. 3 vectors produced by pass 43 Test12= 2.04D-13 1.00D-09 XBig12= 6.87D-14 1.27D-08. 3 vectors produced by pass 44 Test12= 2.04D-13 1.00D-09 XBig12= 1.63D-13 1.47D-08. 3 vectors produced by pass 45 Test12= 2.04D-13 1.00D-09 XBig12= 8.56D-14 1.26D-08. 3 vectors produced by pass 46 Test12= 2.04D-13 1.00D-09 XBig12= 2.08D-13 1.63D-08. 3 vectors produced by pass 47 Test12= 2.04D-13 1.00D-09 XBig12= 1.09D-13 1.01D-08. 3 vectors produced by pass 48 Test12= 2.04D-13 1.00D-09 XBig12= 1.09D-13 1.37D-08. 3 vectors produced by pass 49 Test12= 2.04D-13 1.00D-09 XBig12= 1.16D-13 1.35D-08. 3 vectors produced by pass 50 Test12= 2.04D-13 1.00D-09 XBig12= 8.54D-14 1.96D-08. 3 vectors produced by pass 51 Test12= 2.04D-13 1.00D-09 XBig12= 7.35D-14 1.14D-08. 3 vectors produced by pass 52 Test12= 2.04D-13 1.00D-09 XBig12= 8.89D-14 1.27D-08. 3 vectors produced by pass 53 Test12= 2.04D-13 1.00D-09 XBig12= 9.73D-14 1.18D-08. 3 vectors produced by pass 54 Test12= 2.04D-13 1.00D-09 XBig12= 6.77D-14 1.01D-08. 3 vectors produced by pass 55 Test12= 2.04D-13 1.00D-09 XBig12= 2.66D-14 7.29D-09. 3 vectors produced by pass 56 Test12= 2.04D-13 1.00D-09 XBig12= 6.76D-14 9.63D-09. 3 vectors produced by pass 57 Test12= 2.04D-13 1.00D-09 XBig12= 4.74D-14 7.70D-09. 3 vectors produced by pass 58 Test12= 2.04D-13 1.00D-09 XBig12= 7.80D-14 1.16D-08. 3 vectors produced by pass 59 Test12= 2.04D-13 1.00D-09 XBig12= 4.01D-14 1.20D-08. 3 vectors produced by pass 60 Test12= 2.04D-13 1.00D-09 XBig12= 9.85D-14 1.17D-08. 3 vectors produced by pass 61 Test12= 2.04D-13 1.00D-09 XBig12= 9.02D-14 1.09D-08. 3 vectors produced by pass 62 Test12= 2.04D-13 1.00D-09 XBig12= 1.14D-13 1.98D-08. 3 vectors produced by pass 63 Test12= 2.04D-13 1.00D-09 XBig12= 4.39D-14 7.49D-09. 3 vectors produced by pass 64 Test12= 2.04D-13 1.00D-09 XBig12= 8.17D-14 1.05D-08. 3 vectors produced by pass 65 Test12= 2.04D-13 1.00D-09 XBig12= 9.49D-14 1.12D-08. 3 vectors produced by pass 66 Test12= 2.04D-13 1.00D-09 XBig12= 3.09D-14 5.97D-09. 3 vectors produced by pass 67 Test12= 2.04D-13 1.00D-09 XBig12= 1.57D-13 1.85D-08. 3 vectors produced by pass 68 Test12= 2.04D-13 1.00D-09 XBig12= 2.78D-14 5.74D-09. 3 vectors produced by pass 69 Test12= 2.04D-13 1.00D-09 XBig12= 1.84D-13 1.56D-08. 3 vectors produced by pass 70 Test12= 2.04D-13 1.00D-09 XBig12= 3.91D-14 6.19D-09. 3 vectors produced by pass 71 Test12= 2.04D-13 1.00D-09 XBig12= 1.88D-13 1.84D-08. 3 vectors produced by pass 72 Test12= 2.04D-13 1.00D-09 XBig12= 5.41D-14 8.14D-09. 3 vectors produced by pass 73 Test12= 2.04D-13 1.00D-09 XBig12= 7.75D-14 1.01D-08. 3 vectors produced by pass 74 Test12= 2.04D-13 1.00D-09 XBig12= 2.08D-13 1.76D-08. 3 vectors produced by pass 75 Test12= 2.04D-13 1.00D-09 XBig12= 4.51D-14 8.11D-09. 3 vectors produced by pass 76 Test12= 2.04D-13 1.00D-09 XBig12= 5.10D-14 8.55D-09. 3 vectors produced by pass 77 Test12= 2.04D-13 1.00D-09 XBig12= 4.67D-14 8.40D-09. 3 vectors produced by pass 78 Test12= 2.04D-13 1.00D-09 XBig12= 1.02D-13 1.26D-08. 3 vectors produced by pass 79 Test12= 2.04D-13 1.00D-09 XBig12= 5.07D-14 9.53D-09. 3 vectors produced by pass 80 Test12= 2.04D-13 1.00D-09 XBig12= 6.65D-14 9.14D-09. 3 vectors produced by pass 81 Test12= 2.04D-13 1.00D-09 XBig12= 9.66D-14 1.31D-08. 3 vectors produced by pass 82 Test12= 2.04D-13 1.00D-09 XBig12= 9.19D-14 1.06D-08. 3 vectors produced by pass 83 Test12= 2.04D-13 1.00D-09 XBig12= 1.06D-13 1.15D-08. 3 vectors produced by pass 84 Test12= 2.04D-13 1.00D-09 XBig12= 3.24D-14 5.41D-09. 3 vectors produced by pass 85 Test12= 2.04D-13 1.00D-09 XBig12= 1.50D-13 1.47D-08. 3 vectors produced by pass 86 Test12= 2.04D-13 1.00D-09 XBig12= 7.56D-14 8.54D-09. 3 vectors produced by pass 87 Test12= 2.04D-13 1.00D-09 XBig12= 7.49D-14 8.45D-09. 3 vectors produced by pass 88 Test12= 2.04D-13 1.00D-09 XBig12= 3.78D-14 5.85D-09. 3 vectors produced by pass 89 Test12= 2.04D-13 1.00D-09 XBig12= 8.27D-14 9.92D-09. 3 vectors produced by pass 90 Test12= 2.04D-13 1.00D-09 XBig12= 5.84D-14 1.23D-08. 3 vectors produced by pass 91 Test12= 2.04D-13 1.00D-09 XBig12= 6.26D-14 8.24D-09. 3 vectors produced by pass 92 Test12= 2.04D-13 1.00D-09 XBig12= 6.27D-14 7.30D-09. 3 vectors produced by pass 93 Test12= 2.04D-13 1.00D-09 XBig12= 7.42D-14 9.10D-09. 3 vectors produced by pass 94 Test12= 2.04D-13 1.00D-09 XBig12= 3.47D-14 6.11D-09. 3 vectors produced by pass 95 Test12= 2.04D-13 1.00D-09 XBig12= 6.56D-14 8.72D-09. 3 vectors produced by pass 96 Test12= 2.04D-13 1.00D-09 XBig12= 1.32D-13 1.61D-08. 3 vectors produced by pass 97 Test12= 2.04D-13 1.00D-09 XBig12= 3.72D-14 5.48D-09. 3 vectors produced by pass 98 Test12= 2.04D-13 1.00D-09 XBig12= 9.95D-14 1.06D-08. 3 vectors produced by pass 99 Test12= 2.04D-13 1.00D-09 XBig12= 8.76D-14 1.11D-08. 3 vectors produced by pass100 Test12= 2.04D-13 1.00D-09 XBig12= 7.54D-14 9.73D-09. 3 vectors produced by pass101 Test12= 2.04D-13 1.00D-09 XBig12= 6.93D-14 1.39D-08. 3 vectors produced by pass102 Test12= 2.04D-13 1.00D-09 XBig12= 8.14D-14 9.83D-09. 3 vectors produced by pass103 Test12= 2.04D-13 1.00D-09 XBig12= 6.88D-14 1.22D-08. 3 vectors produced by pass104 Test12= 2.04D-13 1.00D-09 XBig12= 8.64D-14 1.18D-08. 3 vectors produced by pass105 Test12= 2.04D-13 1.00D-09 XBig12= 1.95D-14 3.98D-09. 3 vectors produced by pass106 Test12= 2.04D-13 1.00D-09 XBig12= 5.71D-14 8.59D-09. 3 vectors produced by pass107 Test12= 2.04D-13 1.00D-09 XBig12= 1.08D-13 1.19D-08. 3 vectors produced by pass108 Test12= 2.04D-13 1.00D-09 XBig12= 5.24D-14 8.21D-09. 3 vectors produced by pass109 Test12= 2.04D-13 1.00D-09 XBig12= 1.71D-13 1.49D-08. 3 vectors produced by pass110 Test12= 2.04D-13 1.00D-09 XBig12= 6.32D-14 8.50D-09. 3 vectors produced by pass111 Test12= 2.04D-13 1.00D-09 XBig12= 1.75D-13 1.95D-08. 3 vectors produced by pass112 Test12= 2.04D-13 1.00D-09 XBig12= 5.83D-14 7.26D-09. 3 vectors produced by pass113 Test12= 2.04D-13 1.00D-09 XBig12= 6.74D-14 8.93D-09. 3 vectors produced by pass114 Test12= 2.04D-13 1.00D-09 XBig12= 1.07D-13 1.45D-08. 3 vectors produced by pass115 Test12= 2.04D-13 1.00D-09 XBig12= 7.39D-14 1.19D-08. 3 vectors produced by pass116 Test12= 2.04D-13 1.00D-09 XBig12= 1.02D-13 1.20D-08. 3 vectors produced by pass117 Test12= 2.04D-13 1.00D-09 XBig12= 3.94D-14 7.13D-09. 3 vectors produced by pass118 Test12= 2.04D-13 1.00D-09 XBig12= 1.10D-13 1.02D-08. 3 vectors produced by pass119 Test12= 2.04D-13 1.00D-09 XBig12= 3.10D-14 6.77D-09. 3 vectors produced by pass120 Test12= 2.04D-13 1.00D-09 XBig12= 9.10D-14 1.20D-08. 3 vectors produced by pass121 Test12= 2.04D-13 1.00D-09 XBig12= 1.05D-13 1.06D-08. 3 vectors produced by pass122 Test12= 2.04D-13 1.00D-09 XBig12= 1.48D-13 1.58D-08. 3 vectors produced by pass123 Test12= 2.04D-13 1.00D-09 XBig12= 8.91D-14 9.86D-09. 3 vectors produced by pass124 Test12= 2.04D-13 1.00D-09 XBig12= 2.52D-13 1.72D-08. 3 vectors produced by pass125 Test12= 2.04D-13 1.00D-09 XBig12= 1.03D-13 1.16D-08. 3 vectors produced by pass126 Test12= 2.04D-13 1.00D-09 XBig12= 1.29D-13 9.75D-09. 3 vectors produced by pass127 Test12= 2.04D-13 1.00D-09 XBig12= 1.18D-13 1.15D-08. 3 vectors produced by pass128 Test12= 2.04D-13 1.00D-09 XBig12= 4.54D-14 8.93D-09. 3 vectors produced by pass129 Test12= 2.04D-13 1.00D-09 XBig12= 3.19D-14 5.28D-09. 3 vectors produced by pass130 Test12= 2.04D-13 1.00D-09 XBig12= 7.98D-14 1.06D-08. 3 vectors produced by pass131 Test12= 2.04D-13 1.00D-09 XBig12= 5.16D-14 8.09D-09. 3 vectors produced by pass132 Test12= 2.04D-13 1.00D-09 XBig12= 9.08D-14 1.05D-08. 3 vectors produced by pass133 Test12= 2.04D-13 1.00D-09 XBig12= 9.77D-14 9.09D-09. 3 vectors produced by pass134 Test12= 2.04D-13 1.00D-09 XBig12= 2.33D-13 1.59D-08. 3 vectors produced by pass135 Test12= 2.04D-13 1.00D-09 XBig12= 7.33D-14 8.79D-09. 3 vectors produced by pass136 Test12= 2.04D-13 1.00D-09 XBig12= 1.45D-13 1.14D-08. 3 vectors produced by pass137 Test12= 2.04D-13 1.00D-09 XBig12= 7.11D-14 8.40D-09. 3 vectors produced by pass138 Test12= 2.04D-13 1.00D-09 XBig12= 1.16D-13 1.53D-08. 3 vectors produced by pass139 Test12= 2.04D-13 1.00D-09 XBig12= 2.37D-13 1.67D-08. 3 vectors produced by pass140 Test12= 2.04D-13 1.00D-09 XBig12= 7.76D-14 1.14D-08. 3 vectors produced by pass141 Test12= 2.04D-13 1.00D-09 XBig12= 1.68D-13 1.46D-08. 3 vectors produced by pass142 Test12= 2.04D-13 1.00D-09 XBig12= 8.47D-14 1.02D-08. 3 vectors produced by pass143 Test12= 2.04D-13 1.00D-09 XBig12= 1.53D-13 1.57D-08. 3 vectors produced by pass144 Test12= 2.04D-13 1.00D-09 XBig12= 9.52D-14 9.77D-09. 3 vectors produced by pass145 Test12= 2.04D-13 1.00D-09 XBig12= 1.57D-13 1.34D-08. 3 vectors produced by pass146 Test12= 2.04D-13 1.00D-09 XBig12= 7.85D-14 8.99D-09. 3 vectors produced by pass147 Test12= 2.04D-13 1.00D-09 XBig12= 2.42D-13 1.83D-08. 3 vectors produced by pass148 Test12= 2.04D-13 1.00D-09 XBig12= 4.98D-14 7.22D-09. 3 vectors produced by pass149 Test12= 2.04D-13 1.00D-09 XBig12= 3.49D-14 6.51D-09. 3 vectors produced by pass150 Test12= 2.04D-13 1.00D-09 XBig12= 1.15D-13 1.20D-08. 3 vectors produced by pass151 Test12= 2.04D-13 1.00D-09 XBig12= 6.79D-14 8.76D-09. 3 vectors produced by pass152 Test12= 2.04D-13 1.00D-09 XBig12= 6.02D-14 7.27D-09. 3 vectors produced by pass153 Test12= 2.04D-13 1.00D-09 XBig12= 7.12D-14 1.16D-08. 3 vectors produced by pass154 Test12= 2.04D-13 1.00D-09 XBig12= 1.16D-13 1.07D-08. 3 vectors produced by pass155 Test12= 2.04D-13 1.00D-09 XBig12= 1.11D-13 1.13D-08. 3 vectors produced by pass156 Test12= 2.04D-13 1.00D-09 XBig12= 1.45D-13 1.35D-08. 3 vectors produced by pass157 Test12= 2.04D-13 1.00D-09 XBig12= 9.78D-14 8.89D-09. 3 vectors produced by pass158 Test12= 2.04D-13 1.00D-09 XBig12= 7.62D-14 8.14D-09. 3 vectors produced by pass159 Test12= 2.04D-13 1.00D-09 XBig12= 9.41D-14 9.63D-09. 3 vectors produced by pass160 Test12= 2.04D-13 1.00D-09 XBig12= 1.20D-13 1.00D-08. 3 vectors produced by pass161 Test12= 2.04D-13 1.00D-09 XBig12= 8.02D-14 9.54D-09. 3 vectors produced by pass162 Test12= 2.04D-13 1.00D-09 XBig12= 8.25D-14 9.40D-09. 3 vectors produced by pass163 Test12= 2.04D-13 1.00D-09 XBig12= 1.10D-13 1.28D-08. 3 vectors produced by pass164 Test12= 2.04D-13 1.00D-09 XBig12= 8.02D-14 9.79D-09. 3 vectors produced by pass165 Test12= 2.04D-13 1.00D-09 XBig12= 9.24D-14 8.36D-09. 3 vectors produced by pass166 Test12= 2.04D-13 1.00D-09 XBig12= 1.16D-13 1.02D-08. 3 vectors produced by pass167 Test12= 2.04D-13 1.00D-09 XBig12= 8.47D-14 9.62D-09. 3 vectors produced by pass168 Test12= 2.04D-13 1.00D-09 XBig12= 9.14D-14 1.05D-08. 3 vectors produced by pass169 Test12= 2.04D-13 1.00D-09 XBig12= 6.41D-14 1.05D-08. 3 vectors produced by pass170 Test12= 2.04D-13 1.00D-09 XBig12= 1.40D-13 1.23D-08. 3 vectors produced by pass171 Test12= 2.04D-13 1.00D-09 XBig12= 5.27D-14 5.89D-09. 3 vectors produced by pass172 Test12= 2.04D-13 1.00D-09 XBig12= 7.94D-14 9.09D-09. 3 vectors produced by pass173 Test12= 2.04D-13 1.00D-09 XBig12= 6.70D-14 7.95D-09. 3 vectors produced by pass174 Test12= 2.04D-13 1.00D-09 XBig12= 1.19D-13 1.17D-08. 3 vectors produced by pass175 Test12= 2.04D-13 1.00D-09 XBig12= 4.97D-14 6.99D-09. 3 vectors produced by pass176 Test12= 2.04D-13 1.00D-09 XBig12= 1.34D-13 1.14D-08. 3 vectors produced by pass177 Test12= 2.04D-13 1.00D-09 XBig12= 3.84D-14 6.05D-09. 3 vectors produced by pass178 Test12= 2.04D-13 1.00D-09 XBig12= 7.01D-14 1.04D-08. 3 vectors produced by pass179 Test12= 2.04D-13 1.00D-09 XBig12= 6.41D-14 7.49D-09. 3 vectors produced by pass180 Test12= 2.04D-13 1.00D-09 XBig12= 1.70D-13 1.27D-08. 3 vectors produced by pass181 Test12= 2.04D-13 1.00D-09 XBig12= 7.90D-14 9.71D-09. 3 vectors produced by pass182 Test12= 2.04D-13 1.00D-09 XBig12= 8.83D-14 1.01D-08. 3 vectors produced by pass183 Test12= 2.04D-13 1.00D-09 XBig12= 5.60D-14 7.13D-09. 3 vectors produced by pass184 Test12= 2.04D-13 1.00D-09 XBig12= 9.17D-14 8.60D-09. 3 vectors produced by pass185 Test12= 2.04D-13 1.00D-09 XBig12= 1.22D-13 1.38D-08. 3 vectors produced by pass186 Test12= 2.04D-13 1.00D-09 XBig12= 9.61D-14 9.83D-09. 3 vectors produced by pass187 Test12= 2.04D-13 1.00D-09 XBig12= 1.02D-13 9.27D-09. 3 vectors produced by pass188 Test12= 2.04D-13 1.00D-09 XBig12= 7.94D-14 9.71D-09. 3 vectors produced by pass189 Test12= 2.04D-13 1.00D-09 XBig12= 8.52D-14 1.02D-08. 3 vectors produced by pass190 Test12= 2.04D-13 1.00D-09 XBig12= 1.10D-13 9.04D-09. 3 vectors produced by pass191 Test12= 2.04D-13 1.00D-09 XBig12= 8.87D-14 8.92D-09. 3 vectors produced by pass192 Test12= 2.04D-13 1.00D-09 XBig12= 1.26D-13 1.10D-08. 3 vectors produced by pass193 Test12= 2.04D-13 1.00D-09 XBig12= 1.19D-13 1.07D-08. 3 vectors produced by pass194 Test12= 2.04D-13 1.00D-09 XBig12= 1.46D-13 1.19D-08. 3 vectors produced by pass195 Test12= 2.04D-13 1.00D-09 XBig12= 1.23D-13 1.03D-08. 3 vectors produced by pass196 Test12= 2.04D-13 1.00D-09 XBig12= 5.92D-14 8.04D-09. 3 vectors produced by pass197 Test12= 2.04D-13 1.00D-09 XBig12= 1.08D-13 9.74D-09. 3 vectors produced by pass198 Test12= 2.04D-13 1.00D-09 XBig12= 6.33D-14 7.42D-09. 3 vectors produced by pass199 Test12= 2.04D-13 1.00D-09 XBig12= 9.72D-14 9.85D-09. 3 vectors produced by pass200 Test12= 2.04D-13 1.00D-09 XBig12= 6.40D-14 7.02D-09. 3 vectors produced by pass201 Test12= 2.04D-13 1.00D-09 XBig12= 9.69D-14 1.03D-08. 3 vectors produced by pass202 Test12= 2.04D-13 1.00D-09 XBig12= 9.17D-14 1.02D-08. 3 vectors produced by pass203 Test12= 2.04D-13 1.00D-09 XBig12= 1.14D-13 1.00D-08. 3 vectors produced by pass204 Test12= 2.04D-13 1.00D-09 XBig12= 4.92D-14 9.09D-09. 3 vectors produced by pass205 Test12= 2.04D-13 1.00D-09 XBig12= 5.96D-14 7.25D-09. 3 vectors produced by pass206 Test12= 2.04D-13 1.00D-09 XBig12= 1.35D-13 1.14D-08. 3 vectors produced by pass207 Test12= 2.04D-13 1.00D-09 XBig12= 1.18D-13 1.14D-08. 3 vectors produced by pass208 Test12= 2.04D-13 1.00D-09 XBig12= 1.57D-13 1.32D-08. 3 vectors produced by pass209 Test12= 2.04D-13 1.00D-09 XBig12= 9.88D-14 1.03D-08. 3 vectors produced by pass210 Test12= 2.04D-13 1.00D-09 XBig12= 9.79D-14 1.06D-08. 3 vectors produced by pass211 Test12= 2.04D-13 1.00D-09 XBig12= 1.28D-13 1.15D-08. 3 vectors produced by pass212 Test12= 2.04D-13 1.00D-09 XBig12= 9.11D-14 9.40D-09. 3 vectors produced by pass213 Test12= 2.04D-13 1.00D-09 XBig12= 8.00D-14 7.71D-09. 3 vectors produced by pass214 Test12= 2.04D-13 1.00D-09 XBig12= 7.46D-14 7.55D-09. 3 vectors produced by pass215 Test12= 2.04D-13 1.00D-09 XBig12= 7.85D-14 7.51D-09. 3 vectors produced by pass216 Test12= 2.04D-13 1.00D-09 XBig12= 9.84D-14 1.36D-08. 3 vectors produced by pass217 Test12= 2.04D-13 1.00D-09 XBig12= 1.55D-13 1.08D-08. 3 vectors produced by pass218 Test12= 2.04D-13 1.00D-09 XBig12= 8.57D-14 8.62D-09. 3 vectors produced by pass219 Test12= 2.04D-13 1.00D-09 XBig12= 1.55D-13 1.04D-08. 3 vectors produced by pass220 Test12= 2.04D-13 1.00D-09 XBig12= 1.11D-13 9.82D-09. 3 vectors produced by pass221 Test12= 2.04D-13 1.00D-09 XBig12= 1.09D-13 1.08D-08. 3 vectors produced by pass222 Test12= 2.04D-13 1.00D-09 XBig12= 1.17D-13 9.42D-09. 3 vectors produced by pass223 Test12= 2.04D-13 1.00D-09 XBig12= 7.64D-14 7.93D-09. 3 vectors produced by pass224 Test12= 2.04D-13 1.00D-09 XBig12= 1.15D-13 1.08D-08. 3 vectors produced by pass225 Test12= 2.04D-13 1.00D-09 XBig12= 1.15D-13 9.74D-09. 3 vectors produced by pass226 Test12= 2.04D-13 1.00D-09 XBig12= 5.88D-14 6.72D-09. 3 vectors produced by pass227 Test12= 2.04D-13 1.00D-09 XBig12= 1.00D-13 1.14D-08. 3 vectors produced by pass228 Test12= 2.04D-13 1.00D-09 XBig12= 1.84D-13 1.61D-08. 3 vectors produced by pass229 Test12= 2.04D-13 1.00D-09 XBig12= 8.69D-14 8.58D-09. 3 vectors produced by pass230 Test12= 2.04D-13 1.00D-09 XBig12= 8.81D-14 1.24D-08. 3 vectors produced by pass231 Test12= 2.04D-13 1.00D-09 XBig12= 1.12D-13 9.73D-09. 3 vectors produced by pass232 Test12= 2.04D-13 1.00D-09 XBig12= 8.74D-14 9.62D-09. 3 vectors produced by pass233 Test12= 2.04D-13 1.00D-09 XBig12= 7.87D-14 9.58D-09. 3 vectors produced by pass234 Test12= 2.04D-13 1.00D-09 XBig12= 4.91D-14 7.25D-09. 3 vectors produced by pass235 Test12= 2.04D-13 1.00D-09 XBig12= 6.21D-14 6.41D-09. 3 vectors produced by pass236 Test12= 2.04D-13 1.00D-09 XBig12= 6.74D-14 8.47D-09. 3 vectors produced by pass237 Test12= 2.04D-13 1.00D-09 XBig12= 1.26D-13 1.05D-08. 3 vectors produced by pass238 Test12= 2.04D-13 1.00D-09 XBig12= 7.52D-14 7.72D-09. 3 vectors produced by pass239 Test12= 2.04D-13 1.00D-09 XBig12= 1.12D-13 9.27D-09. 3 vectors produced by pass240 Test12= 2.04D-13 1.00D-09 XBig12= 1.95D-13 1.39D-08. 3 vectors produced by pass241 Test12= 2.04D-13 1.00D-09 XBig12= 9.85D-14 9.62D-09. 3 vectors produced by pass242 Test12= 2.04D-13 1.00D-09 XBig12= 1.25D-13 1.15D-08. 3 vectors produced by pass243 Test12= 2.04D-13 1.00D-09 XBig12= 3.97D-14 5.41D-09. 3 vectors produced by pass244 Test12= 2.04D-13 1.00D-09 XBig12= 7.88D-14 9.69D-09. 3 vectors produced by pass245 Test12= 2.04D-13 1.00D-09 XBig12= 1.21D-13 9.55D-09. 3 vectors produced by pass246 Test12= 2.04D-13 1.00D-09 XBig12= 5.88D-14 8.15D-09. 3 vectors produced by pass247 Test12= 2.04D-13 1.00D-09 XBig12= 7.94D-14 8.19D-09. 3 vectors produced by pass248 Test12= 2.04D-13 1.00D-09 XBig12= 1.02D-13 9.80D-09. 3 vectors produced by pass249 Test12= 2.04D-13 1.00D-09 XBig12= 7.86D-14 8.33D-09. 3 vectors produced by pass250 Test12= 2.04D-13 1.00D-09 XBig12= 1.15D-13 1.10D-08. 3 vectors produced by pass251 Test12= 2.04D-13 1.00D-09 XBig12= 8.95D-14 9.78D-09. 3 vectors produced by pass252 Test12= 2.04D-13 1.00D-09 XBig12= 6.45D-14 7.22D-09. 3 vectors produced by pass253 Test12= 2.04D-13 1.00D-09 XBig12= 6.58D-14 8.35D-09. 3 vectors produced by pass254 Test12= 2.04D-13 1.00D-09 XBig12= 1.20D-13 1.20D-08. 3 vectors produced by pass255 Test12= 2.04D-13 1.00D-09 XBig12= 5.39D-14 6.12D-09. 3 vectors produced by pass256 Test12= 2.04D-13 1.00D-09 XBig12= 6.71D-14 7.64D-09. 3 vectors produced by pass257 Test12= 2.04D-13 1.00D-09 XBig12= 1.21D-13 9.92D-09. 3 vectors produced by pass258 Test12= 2.04D-13 1.00D-09 XBig12= 5.30D-14 7.02D-09. 3 vectors produced by pass259 Test12= 2.04D-13 1.00D-09 XBig12= 1.39D-13 1.36D-08. 3 vectors produced by pass260 Test12= 2.04D-13 1.00D-09 XBig12= 5.87D-14 7.92D-09. 3 vectors produced by pass261 Test12= 2.04D-13 1.00D-09 XBig12= 7.60D-14 8.83D-09. 3 vectors produced by pass262 Test12= 2.04D-13 1.00D-09 XBig12= 1.26D-13 1.03D-08. 3 vectors produced by pass263 Test12= 2.04D-13 1.00D-09 XBig12= 9.42D-14 1.13D-08. 3 vectors produced by pass264 Test12= 2.04D-13 1.00D-09 XBig12= 9.07D-14 9.03D-09. 3 vectors produced by pass265 Test12= 2.04D-13 1.00D-09 XBig12= 7.94D-14 9.57D-09. 3 vectors produced by pass266 Test12= 2.04D-13 1.00D-09 XBig12= 8.39D-14 7.86D-09. 3 vectors produced by pass267 Test12= 2.04D-13 1.00D-09 XBig12= 4.87D-14 5.85D-09. 3 vectors produced by pass268 Test12= 2.04D-13 1.00D-09 XBig12= 1.01D-13 8.33D-09. 3 vectors produced by pass269 Test12= 2.04D-13 1.00D-09 XBig12= 5.84D-14 7.25D-09. 3 vectors produced by pass270 Test12= 2.04D-13 1.00D-09 XBig12= 9.12D-14 7.68D-09. 3 vectors produced by pass271 Test12= 2.04D-13 1.00D-09 XBig12= 1.65D-13 1.18D-08. 3 vectors produced by pass272 Test12= 2.04D-13 1.00D-09 XBig12= 5.75D-14 6.93D-09. 3 vectors produced by pass273 Test12= 2.04D-13 1.00D-09 XBig12= 7.22D-14 8.50D-09. 3 vectors produced by pass274 Test12= 2.04D-13 1.00D-09 XBig12= 9.99D-14 8.43D-09. 3 vectors produced by pass275 Test12= 2.04D-13 1.00D-09 XBig12= 7.28D-14 7.22D-09. 3 vectors produced by pass276 Test12= 2.04D-13 1.00D-09 XBig12= 7.41D-14 7.79D-09. 3 vectors produced by pass277 Test12= 2.04D-13 1.00D-09 XBig12= 1.00D-13 8.35D-09. 3 vectors produced by pass278 Test12= 2.04D-13 1.00D-09 XBig12= 8.78D-14 8.55D-09. 3 vectors produced by pass279 Test12= 2.04D-13 1.00D-09 XBig12= 1.08D-13 1.14D-08. 3 vectors produced by pass280 Test12= 2.04D-13 1.00D-09 XBig12= 6.50D-14 7.31D-09. 3 vectors produced by pass281 Test12= 2.04D-13 1.00D-09 XBig12= 9.97D-14 8.64D-09. 3 vectors produced by pass282 Test12= 2.04D-13 1.00D-09 XBig12= 6.82D-14 6.76D-09. 3 vectors produced by pass283 Test12= 2.04D-13 1.00D-09 XBig12= 1.03D-13 1.02D-08. 3 vectors produced by pass284 Test12= 2.04D-13 1.00D-09 XBig12= 7.91D-14 7.63D-09. 3 vectors produced by pass285 Test12= 2.04D-13 1.00D-09 XBig12= 8.87D-14 8.25D-09. 3 vectors produced by pass286 Test12= 2.04D-13 1.00D-09 XBig12= 5.02D-14 6.48D-09. 3 vectors produced by pass287 Test12= 2.04D-13 1.00D-09 XBig12= 8.81D-14 9.33D-09. 3 vectors produced by pass288 Test12= 2.04D-13 1.00D-09 XBig12= 6.33D-14 8.23D-09. 3 vectors produced by pass289 Test12= 2.04D-13 1.00D-09 XBig12= 1.09D-13 9.01D-09. 3 vectors produced by pass290 Test12= 2.04D-13 1.00D-09 XBig12= 8.77D-14 9.00D-09. 3 vectors produced by pass291 Test12= 2.04D-13 1.00D-09 XBig12= 8.13D-14 8.35D-09. 3 vectors produced by pass292 Test12= 2.04D-13 1.00D-09 XBig12= 1.19D-13 1.20D-08. 3 vectors produced by pass293 Test12= 2.04D-13 1.00D-09 XBig12= 4.16D-14 5.92D-09. 3 vectors produced by pass294 Test12= 2.04D-13 1.00D-09 XBig12= 1.02D-13 1.03D-08. 3 vectors produced by pass295 Test12= 2.04D-13 1.00D-09 XBig12= 4.99D-14 6.00D-09. 3 vectors produced by pass296 Test12= 2.04D-13 1.00D-09 XBig12= 1.23D-13 1.09D-08. 3 vectors produced by pass297 Test12= 2.04D-13 1.00D-09 XBig12= 7.06D-14 7.12D-09. 3 vectors produced by pass298 Test12= 2.04D-13 1.00D-09 XBig12= 8.97D-14 7.92D-09. 3 vectors produced by pass299 Test12= 2.04D-13 1.00D-09 XBig12= 7.86D-14 7.39D-09. 3 vectors produced by pass300 Test12= 2.04D-13 1.00D-09 XBig12= 8.86D-14 8.19D-09. 3 vectors produced by pass301 Test12= 2.04D-13 1.00D-09 XBig12= 1.24D-13 9.30D-09. 3 vectors produced by pass302 Test12= 2.04D-13 1.00D-09 XBig12= 4.09D-14 5.19D-09. 3 vectors produced by pass303 Test12= 2.04D-13 1.00D-09 XBig12= 7.22D-14 7.91D-09. 3 vectors produced by pass304 Test12= 2.04D-13 1.00D-09 XBig12= 1.30D-13 9.15D-09. 3 vectors produced by pass305 Test12= 2.04D-13 1.00D-09 XBig12= 1.07D-13 8.57D-09. 3 vectors produced by pass306 Test12= 2.04D-13 1.00D-09 XBig12= 9.05D-14 8.49D-09. 3 vectors produced by pass307 Test12= 2.04D-13 1.00D-09 XBig12= 7.29D-14 8.08D-09. 3 vectors produced by pass308 Test12= 2.04D-13 1.00D-09 XBig12= 8.88D-14 7.79D-09. 3 vectors produced by pass309 Test12= 2.04D-13 1.00D-09 XBig12= 1.16D-13 8.62D-09. 3 vectors produced by pass310 Test12= 2.04D-13 1.00D-09 XBig12= 6.62D-14 7.15D-09. 3 vectors produced by pass311 Test12= 2.04D-13 1.00D-09 XBig12= 1.02D-13 9.25D-09. 3 vectors produced by pass312 Test12= 2.04D-13 1.00D-09 XBig12= 8.01D-14 8.58D-09. 3 vectors produced by pass313 Test12= 2.04D-13 1.00D-09 XBig12= 7.56D-14 8.37D-09. 3 vectors produced by pass314 Test12= 2.04D-13 1.00D-09 XBig12= 6.20D-14 7.21D-09. 3 vectors produced by pass315 Test12= 2.04D-13 1.00D-09 XBig12= 1.01D-13 1.09D-08. 3 vectors produced by pass316 Test12= 2.04D-13 1.00D-09 XBig12= 1.67D-13 1.13D-08. 3 vectors produced by pass317 Test12= 2.04D-13 1.00D-09 XBig12= 6.78D-14 7.99D-09. 3 vectors produced by pass318 Test12= 2.04D-13 1.00D-09 XBig12= 8.41D-14 8.80D-09. 3 vectors produced by pass319 Test12= 2.04D-13 1.00D-09 XBig12= 7.99D-14 8.06D-09. 3 vectors produced by pass320 Test12= 2.04D-13 1.00D-09 XBig12= 9.09D-14 8.32D-09. 3 vectors produced by pass321 Test12= 2.04D-13 1.00D-09 XBig12= 6.42D-14 7.78D-09. 3 vectors produced by pass322 Test12= 2.04D-13 1.00D-09 XBig12= 1.38D-13 1.13D-08. 3 vectors produced by pass323 Test12= 2.04D-13 1.00D-09 XBig12= 6.08D-14 8.02D-09. 3 vectors produced by pass324 Test12= 2.04D-13 1.00D-09 XBig12= 6.44D-14 7.68D-09. 3 vectors produced by pass325 Test12= 2.04D-13 1.00D-09 XBig12= 1.21D-13 1.25D-08. 3 vectors produced by pass326 Test12= 2.04D-13 1.00D-09 XBig12= 5.76D-14 7.54D-09. 3 vectors produced by pass327 Test12= 2.04D-13 1.00D-09 XBig12= 5.27D-14 6.00D-09. 3 vectors produced by pass328 Test12= 2.04D-13 1.00D-09 XBig12= 8.09D-14 8.84D-09. 3 vectors produced by pass329 Test12= 2.04D-13 1.00D-09 XBig12= 6.79D-14 7.24D-09. 3 vectors produced by pass330 Test12= 2.04D-13 1.00D-09 XBig12= 7.52D-14 8.10D-09. 3 vectors produced by pass331 Test12= 2.04D-13 1.00D-09 XBig12= 6.93D-14 8.34D-09. 3 vectors produced by pass332 Test12= 2.04D-13 1.00D-09 XBig12= 8.26D-14 8.65D-09. 3 vectors produced by pass333 Test12= 2.04D-13 1.00D-09 XBig12= 6.21D-14 6.93D-09. 3 vectors produced by pass334 Test12= 2.04D-13 1.00D-09 XBig12= 9.11D-14 8.74D-09. 3 vectors produced by pass335 Test12= 2.04D-13 1.00D-09 XBig12= 9.73D-14 9.64D-09. 3 vectors produced by pass336 Test12= 2.04D-13 1.00D-09 XBig12= 1.14D-13 8.58D-09. 3 vectors produced by pass337 Test12= 2.04D-13 1.00D-09 XBig12= 1.42D-13 9.90D-09. 3 vectors produced by pass338 Test12= 2.04D-13 1.00D-09 XBig12= 3.94D-14 6.61D-09. 3 vectors produced by pass339 Test12= 2.04D-13 1.00D-09 XBig12= 6.56D-14 5.69D-09. 3 vectors produced by pass340 Test12= 2.04D-13 1.00D-09 XBig12= 1.35D-13 1.11D-08. 3 vectors produced by pass341 Test12= 2.04D-13 1.00D-09 XBig12= 6.96D-14 6.65D-09. 3 vectors produced by pass342 Test12= 2.04D-13 1.00D-09 XBig12= 1.08D-13 8.37D-09. 3 vectors produced by pass343 Test12= 2.04D-13 1.00D-09 XBig12= 7.43D-14 7.34D-09. 3 vectors produced by pass344 Test12= 2.04D-13 1.00D-09 XBig12= 7.83D-14 8.08D-09. 3 vectors produced by pass345 Test12= 2.04D-13 1.00D-09 XBig12= 1.11D-13 8.69D-09. 3 vectors produced by pass346 Test12= 2.04D-13 1.00D-09 XBig12= 5.98D-14 6.53D-09. 3 vectors produced by pass347 Test12= 2.04D-13 1.00D-09 XBig12= 5.84D-14 5.92D-09. 3 vectors produced by pass348 Test12= 2.04D-13 1.00D-09 XBig12= 8.14D-14 7.39D-09. 3 vectors produced by pass349 Test12= 2.04D-13 1.00D-09 XBig12= 1.08D-13 8.11D-09. 3 vectors produced by pass350 Test12= 2.04D-13 1.00D-09 XBig12= 8.42D-14 7.57D-09. 3 vectors produced by pass351 Test12= 2.04D-13 1.00D-09 XBig12= 1.35D-13 1.15D-08. 3 vectors produced by pass352 Test12= 2.04D-13 1.00D-09 XBig12= 8.59D-14 8.55D-09. 3 vectors produced by pass353 Test12= 2.04D-13 1.00D-09 XBig12= 8.79D-14 7.95D-09. 3 vectors produced by pass354 Test12= 2.04D-13 1.00D-09 XBig12= 6.97D-14 6.62D-09. 3 vectors produced by pass355 Test12= 2.04D-13 1.00D-09 XBig12= 9.03D-14 8.63D-09. 3 vectors produced by pass356 Test12= 2.04D-13 1.00D-09 XBig12= 4.45D-14 6.30D-09. 3 vectors produced by pass357 Test12= 2.04D-13 1.00D-09 XBig12= 7.27D-14 7.62D-09. 3 vectors produced by pass358 Test12= 2.04D-13 1.00D-09 XBig12= 7.86D-14 7.49D-09. 3 vectors produced by pass359 Test12= 2.04D-13 1.00D-09 XBig12= 9.98D-14 8.27D-09. 2 vectors produced by pass360 Test12= 2.04D-13 1.00D-09 XBig12= 6.41D-14 8.73D-09. InvSVY: IOpt=1 It= 1 EMax= 9.24D-14 Solved reduced A of dimension 1924 with 117 vectors. Isotropic polarizability for W= 0.000000 580.13 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 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0.92842 0.93071 0.93159 0.93433 0.93654 0.94117 0.94430 0.95023 0.95436 0.95839 0.95847 0.96262 0.96972 0.97279 0.97464 0.97685 0.97902 0.98449 0.98651 0.99039 0.99133 0.99243 0.99490 0.99604 0.99694 1.00406 1.00716 1.01538 1.01750 1.01768 1.02318 1.02454 1.03035 1.03209 1.04359 1.04401 1.04619 1.05042 1.05106 1.05490 1.05641 1.05844 1.06069 1.06248 1.06608 1.06736 1.06894 1.07363 1.07684 1.07903 1.08547 1.08784 1.09063 1.09454 1.10216 1.10319 1.10511 1.10810 1.10972 1.11572 1.11611 1.12513 1.13328 1.13601 1.14176 1.14567 1.15478 1.15902 1.16343 1.16837 1.17119 1.17300 1.17572 1.17747 1.18145 1.18165 1.18577 1.18661 1.19190 1.19239 1.19786 1.20725 1.21006 1.21273 1.21547 1.22005 1.22084 1.22767 1.23051 1.23524 1.23626 1.24373 1.24870 1.25904 1.26480 1.26814 1.27787 1.27907 1.28214 1.28827 1.28885 1.29347 1.30684 1.30994 1.31082 1.31509 1.31962 1.32807 1.34447 1.34722 1.34837 1.35453 1.36130 1.36673 1.36902 1.37206 1.37213 1.38012 1.38631 1.38699 1.38981 1.39147 1.39304 1.39778 1.40102 1.40498 1.40879 1.42466 1.42844 1.43219 1.43262 1.43740 1.44105 1.44411 1.44679 1.44734 1.45047 1.45491 1.46203 1.46363 1.46675 1.47187 1.47640 1.48693 1.49069 1.49104 1.49859 1.49934 1.50001 1.50500 1.51322 1.51751 1.52057 1.52117 1.52513 1.52773 1.53247 1.53564 1.53920 1.54220 1.54475 1.55281 1.55321 1.55628 1.55989 1.56809 1.57087 1.57612 1.58200 1.58688 1.59001 1.59882 1.59899 1.60083 1.60505 1.60747 1.60891 1.61671 1.62382 1.63060 1.63248 1.63560 1.64042 1.64102 1.64175 1.64192 1.64652 1.64913 1.65233 1.65931 1.66230 1.66303 1.66699 1.67125 1.67387 1.67738 1.68270 1.68488 1.68754 1.68975 1.69805 1.69827 1.70236 1.70603 1.70717 1.70994 1.71148 1.71351 1.71737 1.71967 1.72108 1.72257 1.72575 1.72901 1.73038 1.73423 1.73699 1.74375 1.74742 1.75059 1.75500 1.75994 1.76192 1.76369 1.77011 1.77101 1.77496 1.77932 1.78102 1.78223 1.79152 1.79177 1.79501 1.79566 1.79688 1.79774 1.80118 1.80924 1.81136 1.82110 1.82224 1.82413 1.82757 1.82840 1.82910 1.83166 1.83436 1.83571 1.83702 1.84131 1.84312 1.85379 1.85398 1.86072 1.87134 1.87495 1.88003 1.88566 1.89141 1.89928 1.90294 1.91101 1.91115 1.92235 1.92635 1.93433 1.93779 1.94960 1.95044 1.95165 1.95384 1.95816 1.95885 1.96297 1.96712 1.97191 1.97649 1.97661 1.98285 1.99491 1.99696 2.00538 2.01073 2.01121 2.03091 2.03585 2.04886 2.06396 2.06410 2.07422 2.08477 2.08801 2.08872 2.10020 2.11398 2.11455 2.12084 2.13403 2.13741 2.14701 2.16208 2.17483 2.18431 2.18552 2.19333 2.20233 2.20763 2.22206 2.23279 2.23864 2.24520 2.25437 2.26782 2.26936 2.27786 2.28079 2.29348 2.30157 2.30484 2.32702 2.34279 2.34392 2.35062 2.35947 2.36180 2.37065 2.37267 2.38624 2.38880 2.39077 2.39398 2.40394 2.42103 2.43830 2.44261 2.44752 2.45702 2.46045 2.47452 2.48135 2.48142 2.48557 2.49055 2.50894 2.51086 2.52894 2.53256 2.54073 2.54265 2.55387 2.56035 2.56636 2.57065 2.58094 2.58579 2.59874 2.62136 2.62302 2.63005 2.63739 2.64773 2.64919 2.66315 2.67356 2.69094 2.69098 2.69137 2.70441 2.70814 2.71953 2.72889 2.73782 2.74337 2.74700 2.75174 2.75981 2.77249 2.77458 2.78176 2.78796 2.79105 2.79389 2.79917 2.80819 2.80855 2.81842 2.82248 2.82393 2.82586 2.84575 2.84770 2.85977 2.86885 2.87726 2.88785 2.88938 2.90490 2.90591 2.90940 2.91944 2.92170 2.92592 2.93147 2.93560 2.93579 2.94051 2.94259 2.95108 2.95617 2.95669 2.97941 2.98179 2.99049 2.99359 2.99730 3.02223 3.02707 3.03980 3.04542 3.04695 3.05161 3.05814 3.06074 3.07244 3.07384 3.07581 3.08053 3.08980 3.09279 3.09838 3.10278 3.10367 3.10967 3.11449 3.11736 3.12009 3.13012 3.13021 3.13526 3.14364 3.14439 3.14641 3.15296 3.16495 3.16738 3.17302 3.17328 3.17882 3.17955 3.17973 3.18334 3.18645 3.18652 3.18957 3.19393 3.19438 3.19719 3.20259 3.20597 3.20838 3.21095 3.21323 3.21540 3.21695 3.21765 3.22160 3.22182 3.22792 3.22851 3.23152 3.23733 3.23791 3.24575 3.24604 3.25216 3.25397 3.25777 3.25930 3.26019 3.26165 3.26412 3.27024 3.27267 3.27546 3.27883 3.27954 3.28381 3.28889 3.29270 3.29491 3.29753 3.29935 3.30999 3.31320 3.31448 3.32237 3.32252 3.33087 3.33138 3.33198 3.33693 3.34072 3.34385 3.34536 3.34770 3.34906 3.35163 3.35381 3.35478 3.36057 3.36435 3.36546 3.36992 3.37377 3.37426 3.37933 3.38959 3.39252 3.40324 3.40752 3.40917 3.41580 3.41605 3.42838 3.43567 3.43734 3.43796 3.44017 3.44232 3.44326 3.45678 3.45690 3.46577 3.47273 3.48352 3.48666 3.48750 3.49709 3.49850 3.50250 3.52092 3.52515 3.52873 3.53030 3.53578 3.53741 3.54411 3.54449 3.54939 3.55618 3.56343 3.56558 3.57421 3.57751 3.57973 3.58065 3.58395 3.58661 3.60194 3.61034 3.61133 3.62510 3.63065 3.63860 3.63934 3.64325 3.64360 3.64808 3.64986 3.65718 3.66393 3.66689 3.66819 3.67641 3.68180 3.68735 3.68845 3.71225 3.71360 3.71649 3.73712 3.74117 3.74261 3.74718 3.75031 3.76368 3.77045 3.77677 3.79294 3.80267 3.81559 3.82085 3.82718 3.84456 3.86213 3.86322 3.86871 3.87326 3.87462 3.88817 3.89211 3.90345 3.91283 3.91721 3.92413 3.93621 3.94153 3.94651 3.97102 3.97639 3.99033 4.00563 4.01534 4.02604 4.02982 4.03058 4.03304 4.04311 4.04926 4.06356 4.09387 4.11404 4.14190 4.14632 4.15785 4.16124 4.17400 4.19439 4.21660 4.24547 4.25038 4.26837 4.27703 4.31173 4.32545 4.32554 4.35787 4.37233 4.37458 4.42566 4.42869 4.45927 4.46949 4.48376 4.49786 4.50240 4.53076 4.54264 4.60263 4.61009 4.65000 4.67536 4.70193 4.70263 4.74676 4.77714 4.79266 4.79380 4.81792 4.81809 4.82168 4.82953 4.83418 4.84101 4.85128 4.85627 4.86055 4.86928 4.88267 4.92176 4.94714 4.96035 4.98147 5.00283 5.00449 5.03378 5.04863 5.09303 5.09952 5.13787 5.14897 5.18727 5.19964 5.26282 5.30338 5.31225 5.33101 5.39623 5.39982 5.41227 5.42677 5.46237 5.50499 5.52233 5.56158 5.62610 5.63782 5.69092 5.70045 5.75036 5.76031 5.83964 5.89552 6.01020 6.23900 6.51752 14.78765 14.79298 14.79854 14.80357 14.80975 14.86448 14.86687 14.89550 14.92012 14.93487 15.03543 15.24077 22.97427 23.21554 23.24756 23.41156 23.43812 23.67157 24.06166 34.75108 34.75941 34.76508 34.76757 34.77492 34.78929 34.79498 34.79998 34.80415 34.80682 34.80745 34.81231 34.82588 34.82639 34.84168 34.84527 34.85450 34.87185 34.88002 34.90838 34.92766 34.93286 35.00273 35.03354 35.03762 35.04982 35.05218 35.05901 35.06911 35.07944 35.09888 35.10549 35.11011 43.16416 43.20379 43.20582 43.21613 43.21940 43.22522 43.22641 43.23496 43.24657 43.26046 43.28491 117.99678 118.00324 118.00519 118.00963 118.01451 118.01679 118.01731 118.01782 118.02609 118.02611 118.02816 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 B B B B B B B B B B B B I I I I I I I I I I I H C C C C H C H C H H C H H H -0.084600 -0.280966 0.159472 0.091448 -0.077790 -0.074228 0.126381 -0.084592 -0.086034 -0.077790 -0.074226 0.159475 -0.113874 -0.112469 -0.103520 -0.102179 -0.101251 -0.122089 -0.113875 -0.103871 -0.102178 -0.101251 -0.112471 0.133748 0.168344 -0.224806 -0.224790 -0.024778 0.183439 -0.024799 0.183434 0.013232 0.121526 0.121526 -0.231884 0.088229 0.088213 0.121846 -1.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 25 26 27 28 30 32 35 B B B B B B B B B B B B I I I I I I I I I I I C C C C C C C -0.084600 -0.280966 0.159472 0.091448 -0.077790 -0.074228 0.126381 -0.084592 -0.086034 -0.077790 -0.074226 0.159475 -0.113874 -0.112469 -0.103520 -0.102179 -0.101251 -0.122089 -0.113875 -0.103871 -0.102178 -0.101251 -0.112471 0.302092 -0.041367 -0.041357 0.096748 0.096727 0.013232 0.066404 -1.00000 629.047 0.001 568.930 13.481 -0.001 542.407 1123.358 0.002 1117.484 -7.805 0.004 1023.472 -0.0006 -0.0006 0.0002 1.2931 1.6391 3.6938 33.9386 49.0240 54.6691 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 33.9343 49.0236 54.6691 56.3451 56.7871 57.3665 60.2535 64.5901 65.8204 66.3617 68.6638 71.7138 72.3523 73.4995 73.9037 75.1200 76.7694 80.1168 84.7951 84.9922 95.1611 96.6411 108.2760 134.3944 141.0031 142.4243 142.6232 143.0389 143.7500 148.9746 150.4728 150.7531 161.8953 178.4486 274.9036 356.1058 366.0760 369.6616 371.7675 380.9605 386.8994 388.9412 439.0794 497.7666 539.0176 551.0208 554.6533 558.9642 559.4124 562.5410 626.2372 645.4129 645.6169 648.3248 650.6246 652.2284 707.5593 708.2582 713.7504 722.3699 730.5047 755.0421 762.5160 766.7564 771.5811 798.7033 818.7441 832.1780 833.0062 834.1295 840.5731 888.5030 891.5930 893.9281 898.2343 898.3465 913.7340 929.3393 932.5218 932.8365 951.1404 994.5045 1000.4120 1014.6210 1032.6963 1049.3552 1077.3949 1087.7401 1181.5420 1215.2392 1251.3888 1351.1149 1391.8503 1400.4520 1467.1829 1475.3125 1488.6364 1508.0017 1555.4713 1650.2288 3008.3697 3023.0255 3086.7270 3123.3489 3190.5896 3191.9045 3232.0954 3232.9683 4.9084 8.0331 98.2224 77.7963 64.4815 102.7899 26.5001 75.5783 56.0389 72.1410 46.5517 94.8145 105.5427 82.7140 104.4942 105.4875 18.6293 70.1763 53.1168 31.3935 47.4096 1.0562 7.2271 6.5259 100.0106 107.3251 105.9482 18.9478 107.5636 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