Gaussian 16 GINC-PAULA09 MR11XIBY Title AS64L-G16RevC.02 9-Apr-2025 Gaussian 16 7-Dec-2021 AS64L-G16RevC.02 32 32 192 193 1135 (5D, 7F) def2TZVPP 90 90 C1[X(C3H5B12I12)] C1[X(C3H5B12I12)] UM062X def2TZVPP FTS # opt=(ts,noeigentest,calcfc,maxstep=10) freq=noraman m062x/def2tzvpp pop=npa empiricaldispersion=gd3 scf=(maxconventionalcycles=150,xqc) guess=mix 1688.6177399999995 -2 2 AuxInfo=1/0/N:19,21,26,27;30,1,5,9,2,4,6,24,7,3,8,32,10,14,18,11,13,15,25,16,12,17,31/E:;(2,3,4,5,6)(7,8,9,10,11)(13,14,15,16,17)(18,19,20,21,22)/CRV:1.3,2.3;1.5,2.6,3.6,4.6,5.6,6.6,7.6,8.6,9.6,10.6,11.6,12.6/rA:32nB6B6B6B6B6B6B6B6B6IIIIIIIIIC3HC3HHB6ICIHHB5IB6/rB:;;s2s3;s1s2;s1s5;s2s5s6;s2s3s4s7;s1s3s4;s1;s2;s3;s4;s5;s6;s7;s8;s9;;s19;s19;s21;s19;s1s3s6s9;s24;s21;s26;s26;s26;s1s2s4s5s9;;s3s6s7s8s24s31;/rC:-.1794,-1.4825,-.5119;-.3321,1.3801,-.8014;-.597,.1801,1.8072;.5272,1.0233,.7168;-.7704,-.1701,-1.5614;-1.8977,-1.0212,-.4818;-1.9924,.7568,-.6606;-1.1867,1.499,.7534;.6198,-.7446,.897;.4771,-3.3779,-1.3196;.1168,3.1376,-1.9786;-.6627,.3934,3.9423;2.0767,2.3239,1.4825;-.8925,-.3917,-3.7092;-3.5324,-2.2602,-1.1146;-3.7429,1.6653,-1.508;-1.9612,3.3071,1.6129;2.2644,-1.7106,1.9209;2.8268,-.1689,-2.1369;2.2082,-.8349,-2.726;3.775,-.6448,-1.3226;3.8839,-1.7146,-1.1835;2.7189,.8961,-2.3167;-1.0356,-1.3773,1.0435;-1.6286,-3.048,2.2541;4.6606,.2292,-.5308;6.7345,.0295,-1.1868;4.4314,1.2828,-.6457;4.7052,-.0408,.5197;.7081,-.0012,-.669;-3.8427,.0192,1.9081;-2.0152,.0104,.8736; /software/all/Gaussian/g16.C02/bin/g16 /software/all/Gaussian/g16.C02/bin/l1.exe "/work/mr11xiby-G16-13242053/Gau-3281224.inp" -scrdir="/work/mr11xiby-G16-13242053/" Mem=340GB CPU=1-15,17-31,33-47,49-79,81-95,97-111,113-126 Chk=/home/sc.uni-leipzig.de/mr11xiby/g16/chk/B12I11_Allyliodid_DB_rad_TS_M06.ch # opt=(ts,noeigentest,calcfc,maxstep=10) freq=noraman m062x/def2tzvpp 1/5=1,8=10,10=4,11=1,18=20,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=44,7=202,11=2,25=1,30=1,71=2,74=-55,124=31,140=1/1,2,3 4/13=-1/1 5/5=2,8=3,13=1,38=5,85=150/2,8 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1,13=1/2 6/7=2,8=2,9=2,10=2,28=1,40=-1/1,7 7/10=1,25=1/1,2,3,16 1/5=1,8=10,10=4,11=1,18=20,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=44,7=202,11=2,25=1,30=1,71=1,74=-55,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,8=3,13=1,38=5,85=150/2,8 7//1,2,3,16 1/5=1,8=10,11=1,18=20,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1,40=-1/1,7 99/9=1/99 Title Add virtual bond connecting atoms B30 and C19 Dist= 4.88D+00. Add virtual bond connecting atoms B30 and H20 Dist= 5.06D+00. Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 5 5 5 5 6 6 6 6 7 7 7 8 8 9 9 9 19 19 19 19 20 21 21 24 24 26 26 26 31 5 6 9 10 24 30 4 5 7 8 11 30 4 8 9 12 24 32 8 9 13 30 6 7 14 30 7 15 24 32 8 16 32 17 32 18 24 30 20 21 23 30 30 22 26 25 32 27 28 29 32 1.7814 1.7795 1.7799 2.1624 1.7786 1.7339 1.7806 1.7813 1.7791 1.7782 2.1624 1.7342 1.7787 1.7883 1.7788 2.1467 1.7891 1.7064 1.7791 1.7794 2.1631 1.7328 1.7779 1.7787 2.1626 1.7352 1.7896 2.1465 1.788 1.7074 1.7887 2.1465 1.7064 2.1466 1.7079 2.1648 1.7782 1.7357 1.0831 1.3374 1.0854 2.583 2.679 1.0843 1.4748 2.1467 1.7071 2.1843 1.0843 1.0855 2.1 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 5 5 5 6 6 6 9 10 10 24 4 4 4 5 5 7 7 8 8 11 4 4 4 8 8 8 9 9 12 12 2 2 2 3 3 8 8 8 9 13 1 1 1 2 2 6 6 7 7 14 1 1 1 5 5 5 7 7 15 15 2 2 2 5 5 5 6 6 8 16 2 2 2 3 3 4 4 4 7 17 1 1 1 3 3 4 4 18 18 24 20 20 21 21 23 19 19 22 1 1 1 3 3 6 6 9 9 25 21 21 21 27 27 28 1 1 1 1 2 2 2 4 4 4 5 5 5 9 9 3 3 3 6 6 7 7 8 8 24 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 19 19 19 19 19 21 21 21 24 24 24 24 24 24 24 24 24 24 26 26 26 26 26 26 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 32 32 32 32 32 32 32 32 32 32 9 10 24 9 10 30 10 24 30 30 5 7 11 8 11 11 30 11 30 30 12 24 32 9 12 24 12 32 24 32 3 9 13 13 30 9 13 30 13 30 2 7 14 6 14 14 30 14 30 30 7 15 32 15 24 32 15 24 24 32 6 16 32 8 16 32 8 16 16 32 3 17 32 7 17 7 17 32 17 32 3 4 18 18 30 18 24 24 30 30 21 23 23 30 30 22 26 26 3 25 32 6 25 9 25 25 32 32 27 28 29 28 29 29 2 4 19 20 9 19 20 5 19 20 9 19 20 19 20 6 7 31 8 31 24 31 24 31 31 108.0522 121.7645 108.1753 108.2243 121.7805 105.9212 121.5182 121.6444 124.0302 105.9661 107.946 108.2207 121.7934 108.2382 121.7465 121.4355 105.9415 121.4262 105.9472 124.3646 125.5882 107.8129 103.7114 107.9055 120.178 108.0376 125.5596 103.7028 120.2341 121.9091 108.2241 108.0924 121.8036 121.3819 106.0194 108.2838 121.4666 105.9702 121.6179 124.3217 107.9474 108.2718 121.8971 108.2763 121.7881 121.2127 105.9365 121.166 105.9136 124.6719 107.8756 125.5067 103.6792 125.4634 107.915 103.6766 120.248 107.9753 120.2518 122.0306 107.8555 125.562 103.7031 107.8854 125.5136 103.6834 108.0252 120.2051 120.252 121.9498 107.9038 125.4386 103.6755 107.9614 120.2843 107.8601 125.5247 103.634 120.2338 122.0714 108.2668 107.9618 122.0371 120.6369 105.8927 122.0583 108.2638 120.6267 125.396 105.9089 121.1484 117.1579 121.3617 104.9878 87.0714 120.0262 122.805 117.0952 107.8643 125.4561 103.7279 108.0004 120.297 107.922 120.1879 125.4906 103.6981 122.02 110.7752 113.0754 113.383 104.9318 103.2301 110.6661 112.3608 112.285 114.5731 95.1826 112.3051 120.0163 121.6727 112.3282 125.3441 148.9255 112.2718 113.596 92.976 121.7802 126.0135 115.9244 115.9315 116.9592 115.9364 116.9683 115.9381 116.9207 115.9195 116.9482 116.9867 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 9 9 9 10 10 10 24 24 24 9 9 9 10 10 10 30 30 30 5 5 5 6 6 6 10 10 10 5 5 5 10 10 10 30 30 30 6 6 6 6 10 10 10 10 24 24 24 24 5 5 5 7 7 7 11 11 11 4 4 4 8 8 8 11 11 11 4 4 4 11 11 11 30 30 30 5 5 5 11 11 11 30 30 30 7 7 7 7 8 8 8 8 11 11 11 11 12 12 12 24 24 24 32 32 32 9 9 9 12 12 12 24 24 24 8 8 8 12 12 12 32 32 32 4 4 4 8 8 8 12 12 12 4 4 4 9 9 9 12 12 12 9 9 9 13 13 13 30 30 30 2 2 2 8 8 8 13 13 13 3 3 3 3 8 8 8 8 13 13 13 13 2 2 2 14 14 14 30 30 30 1 1 1 14 14 14 30 30 30 6 6 6 6 7 7 7 7 14 14 14 14 1 1 1 15 15 15 24 24 24 5 5 5 7 7 7 15 15 15 1 1 1 5 5 5 15 15 15 5 5 5 6 6 6 16 16 16 2 2 2 5 5 5 16 16 16 2 2 2 4 4 4 17 17 17 4 4 4 18 18 18 30 30 30 3 3 3 3 18 18 18 18 24 24 24 24 20 20 23 23 30 30 21 21 21 21 21 23 23 23 23 23 19 19 19 22 22 22 1 1 1 9 9 9 25 25 25 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 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 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 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 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 21 21 21 21 21 21 24 24 24 24 24 24 24 24 24 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 24 24 24 24 24 24 24 24 24 30 30 30 30 30 30 30 30 30 30 30 30 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 30 30 30 30 30 30 30 30 30 30 30 30 4 4 4 4 4 4 4 4 4 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 24 24 24 24 24 24 24 24 24 32 32 32 32 32 32 32 32 32 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 30 30 30 30 30 30 30 30 30 30 30 30 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 30 30 30 30 30 30 30 30 30 30 30 30 7 7 7 7 7 7 7 7 7 24 24 24 24 24 24 24 24 24 32 32 32 32 32 32 32 32 32 8 8 8 8 8 8 8 8 8 32 32 32 32 32 32 32 32 32 32 32 32 32 32 32 32 32 32 24 24 24 24 24 24 24 24 24 30 30 30 30 30 30 30 30 30 30 30 30 21 21 21 21 21 21 30 30 30 30 30 30 30 30 30 30 26 26 26 26 26 26 32 32 32 32 32 32 32 32 32 2 7 14 2 7 14 2 7 14 7 15 32 7 15 32 7 15 32 3 4 18 3 4 18 3 4 18 3 25 32 3 25 32 3 25 32 2 4 19 20 2 4 19 20 2 4 19 20 3 9 13 3 9 13 3 9 13 1 6 14 1 6 14 1 6 14 6 16 32 6 16 32 6 16 32 3 17 32 3 17 32 3 17 32 1 9 19 20 1 9 19 20 1 9 19 20 2 13 30 2 13 30 2 13 30 2 7 17 2 7 17 2 7 17 1 18 30 1 18 30 1 18 30 1 6 25 1 6 25 1 6 25 6 7 31 6 7 31 6 7 31 7 17 32 7 17 32 7 17 32 1 18 24 1 18 24 1 18 24 1 5 19 20 1 5 19 20 1 5 19 20 15 24 32 15 24 32 15 24 32 8 16 32 8 16 32 8 16 32 4 9 19 20 4 9 19 20 4 9 19 20 2 8 16 2 8 16 2 8 16 3 9 25 3 9 25 3 9 25 3 8 31 3 8 31 3 8 31 3 4 17 3 4 17 3 4 17 3 24 31 3 24 31 3 24 31 6 24 31 6 24 31 6 24 31 6 25 32 6 25 32 6 25 32 2 5 19 20 2 5 19 20 2 5 19 20 22 26 22 26 22 26 1 2 4 5 9 1 2 4 5 9 27 28 29 27 28 29 7 8 31 7 8 31 7 8 31 0.1359 -63.3047 148.7631 -147.9133 148.6462 0.714 63.5745 0.1339 -147.7983 63.3774 -144.9427 2.6431 -148.2543 3.4257 151.0114 1.2113 152.8913 -59.523 63.3067 -0.1567 -149.5952 -0.0819 -63.5454 147.0161 -148.5496 147.9869 -1.4516 -63.4525 144.8778 -2.6904 147.9898 -3.6799 -151.2481 -1.3335 -153.0032 59.4286 -2.1308 65.3166 -143.6573 -129.5326 146.4611 -146.0916 4.9345 19.0593 -65.1461 2.3012 153.3274 167.4521 -63.5214 -0.0337 148.3468 -0.1101 63.3776 -148.2419 148.1069 -148.4055 -0.0249 -0.0631 63.4109 -148.7316 -63.5214 -0.0474 147.8101 148.3266 -148.1995 -0.3419 -63.3366 145.0158 -2.5365 148.3103 -3.3373 -150.8897 -1.3009 -152.9485 59.4991 63.3399 -144.9722 2.5817 -148.386 3.302 150.8558 1.22 152.9079 -59.5382 2.1659 -65.2001 141.3642 113.7931 65.2263 -2.1397 -155.5754 176.8534 -146.3084 146.3256 -7.1101 -34.6812 -144.818 3.4746 153.0466 63.5032 -148.2042 1.3677 2.7088 151.0014 -59.4267 0.053 63.2854 -153.3653 153.5421 -143.2255 0.1238 -63.1413 0.0911 143.4403 -63.3653 148.9908 -1.3031 144.9503 -2.6936 -152.9875 -2.5167 -150.1606 59.5456 -0.0207 -63.2763 153.3832 63.2092 -0.0464 -143.3869 -153.4986 143.2459 -0.0947 66.5741 -4.7335 -149.0397 4.5979 -66.7097 148.984 -144.3797 144.3127 0.0065 -63.38 144.9701 -2.6482 148.46 -3.1899 -150.8082 -1.1645 -152.8144 59.5673 0.1177 149.5483 -63.3455 63.5643 -147.005 0.1012 -148.3334 1.0973 148.2034 -2.3149 65.111 -149.626 -152.6795 -65.366 2.0599 147.323 144.2695 146.1162 -146.4579 -1.1948 -4.2484 145.0048 -63.3102 -2.5083 -3.0733 148.6117 -150.5864 -152.9291 -1.2441 59.5578 63.3155 -144.9609 2.4816 -148.4728 3.2509 150.6934 1.2691 152.9927 -59.5648 -65.2008 2.1518 145.2764 133.2634 -2.1004 65.2523 -151.6232 -163.6361 146.2806 -146.3667 -3.2422 -15.2551 0.0563 -63.1292 153.5042 -153.3895 143.425 0.0585 63.2579 0.0724 -143.2941 63.199 -0.026 -153.4132 -0.0161 -63.2411 143.3717 -143.3671 153.4079 0.0207 -4.6466 66.5902 -149.0295 -66.6911 4.5457 148.9261 144.3748 -144.3884 -0.0081 -63.2672 -0.0668 153.3616 -0.101 63.0994 -143.4722 143.2452 -153.5544 -0.126 4.6667 -66.6299 148.987 66.7035 -4.5932 -148.9763 -144.3771 144.3262 -0.0569 -4.5745 66.6413 -148.9621 -66.5831 4.6327 149.0292 144.3723 -144.412 -0.0154 63.3161 -145.0798 2.4918 -149.0197 2.5843 150.156 1.285 152.889 -59.5393 2.1714 -65.2345 155.0731 -176.7692 -146.291 146.3031 6.6107 34.7683 65.2386 -2.1673 -141.8597 -113.702 -4.8286 178.3816 -178.0238 5.1864 86.1661 -90.6237 -83.2121 138.4311 63.4547 -151.6573 -12.4443 155.0674 16.7106 -58.2658 86.6222 -134.1648 -114.8815 2.5816 129.6056 68.2404 -174.2965 -47.2725 4.6764 -66.5821 149.0354 66.6841 -4.5744 -148.9569 -144.3107 144.4308 0.0483 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate 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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 1323 A 1135 A 2158 1323 7675.9547665706 32 1.00e+00 60 F Berny optimization. saddle point Step number 11 out of a maximum of 192 All quantities printed in internal units (Hartrees-Bohrs-Radians) -0.00818 0.00126 0.00256 0.00369 0.00534 0.01221 0.01252 0.01316 0.01376 0.01446 0.01460 0.01501 0.01543 0.01554 0.01612 0.01638 0.01670 0.01818 0.01852 0.02007 0.02057 0.02077 0.02134 0.02164 0.02180 0.02252 0.02280 0.02426 0.02549 0.02556 0.02562 0.02639 0.02651 0.02783 0.02785 0.02835 0.02860 0.02926 0.03028 0.03691 0.03715 0.03729 0.03749 0.03771 0.04092 0.04107 0.04117 0.04143 0.04145 0.04839 0.06209 0.06519 0.06750 0.06839 0.07123 0.07158 0.07208 0.07470 0.07634 0.08710 0.09335 0.09384 0.09865 0.10335 0.11365 0.11812 0.11913 0.13406 0.13636 0.14390 0.14432 0.14556 0.14617 0.14744 0.14874 0.15291 0.15414 0.15491 0.15580 0.15613 0.16774 0.18404 0.19273 0.28221 0.33576 0.35470 0.35757 0.35916 0.36062 0.59300 1.465737254e-13 0.00000000e+00 Linear search 1 2 0.00001734 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 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 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 3.35194 3.36844 3.34847 4.12010 3.36682 3.27393 3.35026 3.35145 3.36690 3.36593 4.11961 3.27455 3.36592 3.38100 3.36730 4.09141 3.38252 3.37131 3.36741 3.34785 4.12120 3.27162 3.36511 3.36627 4.12042 3.27589 3.38324 4.09149 3.37992 3.37265 3.38158 4.09163 3.37097 4.09170 3.37281 4.12468 3.36655 3.27660 2.04626 2.52950 2.05086 4.90132 5.02584 2.04792 2.77549 4.09178 3.37211 4.18504 2.04784 2.04974 4.09113 1.88567 2.11573 1.88986 1.89103 2.14580 1.85814 2.11138 2.14346 2.12873 1.85912 1.88374 1.89089 2.11546 1.89107 2.11684 2.13988 1.85869 2.13844 1.85878 2.13510 2.12895 1.87730 1.87478 1.87884 2.12416 1.88527 2.12945 1.87475 2.12667 2.13248 1.89136 1.88671 2.11617 2.13866 1.86039 1.89236 2.14027 1.85936 2.11304 2.13348 1.88424 1.89207 2.11854 1.89190 2.11645 2.13485 1.85872 2.13371 1.85841 2.14110 1.87839 2.12808 1.87452 2.12880 1.87912 1.87427 2.12675 1.88471 2.12463 2.13341 1.87817 2.12810 1.87481 1.87861 2.12874 1.87448 1.88513 2.12643 2.12511 2.13318 1.87879 2.12805 1.87446 1.88458 2.12553 1.87788 2.12871 1.87357 2.12628 2.13411 1.89178 1.88442 2.12137 2.12450 1.85784 2.12151 1.89120 2.12478 2.15395 1.85816 2.11599 2.04287 2.11981 1.86194 1.50483 2.09626 2.13690 2.04680 1.87805 2.12885 1.87540 1.88509 2.12587 1.87894 2.12480 2.12909 1.87473 2.13235 1.94051 1.98240 1.99011 1.81344 1.77975 1.93878 1.95084 1.94925 2.01960 1.68413 1.94996 2.09353 2.11726 1.95001 2.17998 2.59186 1.94926 1.99816 1.63391 2.13159 2.21592 1.89265 1.89289 2.11993 1.89305 2.11949 1.89293 2.11946 1.89288 2.12003 2.11963 0.00214 -1.10923 2.56430 -2.54839 2.62342 0.01376 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0.00004 -0.00004 -0.00002 -0.00005 -0.00002 -0.00006 -0.00003 -0.00002 -0.00005 -0.00001 -0.00006 0.00002 0.00002 0.00003 0.00002 0.00003 0.00003 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 3.35194 3.36845 3.34846 4.12010 3.36682 3.27393 3.35026 3.35145 3.36690 3.36593 4.11961 3.27456 3.36592 3.38100 3.36730 4.09141 3.38252 3.37131 3.36742 3.34785 4.12120 3.27162 3.36511 3.36628 4.12043 3.27589 3.38324 4.09149 3.37992 3.37265 3.38157 4.09163 3.37097 4.09170 3.37281 4.12467 3.36655 3.27660 2.04626 2.52950 2.05086 4.90131 5.02589 2.04792 2.77549 4.09178 3.37211 4.18504 2.04784 2.04974 4.09113 1.88567 2.11574 1.88986 1.89103 2.14580 1.85814 2.11138 2.14346 2.12874 1.85913 1.88374 1.89089 2.11545 1.89107 2.11685 2.13989 1.85869 2.13844 1.85879 2.13509 2.12895 1.87730 1.87478 1.87884 2.12416 1.88527 2.12944 1.87475 2.12667 2.13248 1.89136 1.88671 2.11616 2.13866 1.86040 1.89236 2.14027 1.85936 2.11305 2.13348 1.88424 1.89207 2.11855 1.89190 2.11645 2.13485 1.85872 2.13370 1.85841 2.14111 1.87839 2.12808 1.87452 2.12880 1.87912 1.87427 2.12676 1.88471 2.12462 2.13341 1.87816 2.12810 1.87481 1.87861 2.12873 1.87448 1.88513 2.12643 2.12512 2.13318 1.87879 2.12804 1.87446 1.88458 2.12554 1.87788 2.12871 1.87357 2.12628 2.13412 1.89178 1.88442 2.12138 2.12449 1.85784 2.12150 1.89120 2.12478 2.15396 1.85816 2.11599 2.04286 2.11982 1.86195 1.50481 2.09625 2.13690 2.04680 1.87805 2.12885 1.87540 1.88509 2.12588 1.87894 2.12480 2.12909 1.87473 2.13235 1.94051 1.98240 1.99011 1.81344 1.77974 1.93878 1.95084 1.94924 2.01956 1.68408 1.94996 2.09356 2.11729 1.95001 2.18002 2.59190 1.94926 1.99815 1.63390 2.13158 2.21589 1.89265 1.89288 2.11993 1.89305 2.11949 1.89293 2.11946 1.89288 2.12003 2.11963 0.00214 -1.10923 2.56430 -2.54840 2.62341 0.01376 1.11369 0.00232 -2.60734 1.10740 -2.58817 0.00616 -2.56771 0.01990 2.61423 0.01789 2.60550 -1.08335 1.10920 -0.00226 -2.57892 -0.00111 -1.11257 2.59395 -2.62169 2.55004 -0.02662 -1.10897 2.58769 -0.00727 2.56318 -0.02335 -2.61831 -0.02035 -2.60688 1.08134 -0.03108 1.13589 -2.51119 -2.25628 2.56122 -2.55500 0.08111 0.33602 -1.13265 0.03432 2.67043 2.92534 -1.11282 -0.00020 2.55579 -0.00214 1.11049 -2.61671 2.61292 -2.55764 -0.00166 -0.00120 1.11083 -2.56420 -1.11274 -0.00070 2.60745 2.55569 -2.61547 -0.00731 -1.10623 2.59034 -0.00407 2.57083 -0.01578 -2.61019 -0.01892 -2.60553 1.08324 1.10693 -2.59046 0.00512 -2.56938 0.01641 2.61200 0.01821 2.60401 -1.08359 0.03149 -1.13408 2.48017 1.99801 1.13414 -0.03143 -2.70036 3.10066 -2.56014 2.55748 -0.11146 -0.59362 -2.58683 0.01952 2.60699 1.10937 -2.56747 0.02000 0.00750 2.61385 -1.08187 0.00048 1.10380 -2.58628 2.58793 -2.59195 0.00116 -1.10242 0.00089 2.59400 -1.10708 2.58221 -0.01897 2.59071 -0.00319 -2.60438 -0.00438 -2.59828 1.08372 0.00023 -1.10373 2.58790 1.10367 -0.00030 -2.59185 -2.58763 2.59159 0.00004 1.10450 -0.01004 -2.59453 0.00822 -1.10632 2.59237 -2.58571 2.58294 -0.00155 -1.10747 2.58890 -0.00624 2.57132 -0.01550 -2.61064 -0.01695 -2.60377 1.08427 0.00152 2.57814 -1.11018 1.11311 -2.59345 0.00141 -2.55572 0.02090 2.61577 -0.03420 1.13248 -2.61484 -2.68470 -1.13696 0.02972 2.56558 2.49573 2.55530 -2.56121 -0.02535 -0.09520 2.59108 -1.10634 -0.00399 -0.01029 2.57547 -2.60536 -2.60400 -0.01824 1.08411 1.10610 -2.59132 0.00354 -2.57300 0.01277 2.60763 0.01835 2.60412 -1.08420 -1.13371 0.03168 2.54664 2.34138 -0.03026 1.13514 -2.63309 -2.83835 2.55820 -2.55959 -0.04463 -0.24989 0.00064 -1.10212 2.58790 -2.58748 2.59294 -0.00023 1.10372 0.00095 -2.59222 1.10261 -0.00069 -2.58861 -0.00041 -1.10371 2.59155 -2.59320 2.58668 -0.00125 -0.00890 1.10476 -2.59322 -1.10647 0.00719 2.59239 2.58340 -2.58613 -0.00092 -1.10350 -0.00089 2.58686 -0.00114 1.10147 -2.59397 2.59253 -2.58805 -0.00030 0.00874 -1.10563 2.59341 1.10630 -0.00807 -2.59222 -2.58373 2.58509 0.00094 -0.00762 1.10557 -2.59262 -1.10447 0.00872 2.59372 2.58565 -2.58435 0.00065 1.10668 -2.59023 0.00398 -2.58287 0.00340 2.59761 0.01934 2.60561 -1.08336 0.03172 -1.13463 2.68878 -3.09971 -2.55802 2.55881 0.09903 0.59373 1.13426 -0.03210 -2.49187 -1.99717 -0.09320 3.13704 -3.12982 0.10042 1.47976 -1.57319 -1.42613 2.43414 1.13468 -2.62709 -0.18453 2.73217 0.30926 -0.99020 1.53122 -2.30941 -1.99770 0.04025 2.28532 1.23017 -3.01508 -0.77001 0.00949 -1.10446 2.59357 1.10608 -0.00787 -2.59302 -2.58413 2.58510 -0.00005 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000001 0.000000 0.000160 0.000017 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.448330e-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 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 5 5 5 5 6 6 6 6 7 7 7 8 8 9 9 9 19 19 19 19 20 21 21 24 24 26 26 26 31 5 6 9 10 24 30 4 5 7 8 11 30 4 8 9 12 24 32 8 9 13 30 6 7 14 30 7 15 24 32 8 16 32 17 32 18 24 30 20 21 23 30 30 22 26 25 32 27 28 29 32 1.7738 1.7825 1.7719 2.1803 1.7816 1.7325 1.7729 1.7735 1.7817 1.7812 2.18 1.7328 1.7812 1.7891 1.7819 2.1651 1.79 1.784 1.782 1.7716 2.1808 1.7313 1.7807 1.7814 2.1804 1.7335 1.7903 2.1651 1.7886 1.7847 1.7895 2.1652 1.7838 2.1652 1.7848 2.1827 1.7815 1.7339 1.0828 1.3386 1.0853 2.5937 2.6596 1.0837 1.4687 2.1653 1.7844 2.2146 1.0837 1.0847 2.1649 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 5 5 5 6 6 6 9 10 10 24 4 4 4 5 5 7 7 8 8 11 4 4 4 8 8 8 9 9 12 12 2 2 2 3 3 8 8 8 9 13 1 1 1 2 2 6 6 7 7 14 1 1 1 5 5 5 7 7 15 15 2 2 2 5 5 5 6 6 8 16 2 2 2 3 3 4 4 4 7 17 1 1 1 3 3 4 4 18 18 24 20 20 21 21 23 19 19 22 1 1 1 3 3 6 6 9 9 25 21 21 21 27 27 28 1 1 1 1 2 2 2 4 4 4 5 5 5 9 9 3 3 3 6 6 7 7 8 8 24 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 19 19 19 19 19 21 21 21 24 24 24 24 24 24 24 24 24 24 26 26 26 26 26 26 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 32 32 32 32 32 32 32 32 32 32 9 10 24 9 10 30 10 24 30 30 5 7 11 8 11 11 30 11 30 30 12 24 32 9 12 24 12 32 24 32 3 9 13 13 30 9 13 30 13 30 2 7 14 6 14 14 30 14 30 30 7 15 32 15 24 32 15 24 24 32 6 16 32 8 16 32 8 16 16 32 3 17 32 7 17 7 17 32 17 32 3 4 18 18 30 18 24 24 30 30 21 23 23 30 30 22 26 26 3 25 32 6 25 9 25 25 32 32 27 28 29 28 29 29 2 4 19 20 9 19 20 5 19 20 9 19 20 19 20 6 7 31 8 31 24 31 24 31 31 108.0411 121.2227 108.2808 108.348 122.9455 106.4637 120.9729 122.8113 121.9672 106.5199 107.9302 108.3399 121.207 108.3503 121.2862 122.6063 106.4949 122.5236 106.5004 122.3321 121.98 107.5611 107.4167 107.6498 121.7054 108.018 122.0084 107.4153 121.8493 122.182 108.3672 108.1003 121.2475 122.5361 106.5927 108.4242 122.6284 106.5333 121.0685 122.2393 107.9589 108.4077 121.3834 108.3977 121.2638 122.3179 106.4965 122.2527 106.479 122.6762 107.6236 121.9301 107.4023 121.9711 107.6657 107.388 121.8541 107.9859 121.7322 122.2352 107.6109 121.9311 107.4187 107.6366 121.9675 107.3998 108.01 121.8356 121.7599 122.2221 107.6467 121.9282 107.3984 107.9784 121.7841 107.5948 121.9662 107.3476 121.827 122.2755 108.391 107.9692 121.5454 121.7248 106.4464 121.5537 108.3579 121.7409 123.4124 106.4648 121.2375 117.0476 121.4564 106.6816 86.2206 120.1066 122.4353 117.2731 107.6046 121.9742 107.4522 108.0077 121.8034 107.6555 121.7421 121.9879 107.414 122.1747 111.1828 113.583 114.0249 103.9026 101.9722 111.0837 111.7751 111.6836 115.7147 96.4933 111.7244 119.9503 121.3099 111.7273 124.9035 148.5024 111.6846 114.4864 93.6161 122.1313 126.9631 108.441 108.4544 121.4628 108.4639 121.4379 108.4567 121.4362 108.454 121.4689 121.446 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 9 9 9 10 10 10 24 24 24 9 9 9 10 10 10 30 30 30 5 5 5 6 6 6 10 10 10 5 5 5 10 10 10 30 30 30 6 6 6 6 10 10 10 10 24 24 24 24 5 5 5 7 7 7 11 11 11 4 4 4 8 8 8 11 11 11 4 4 4 11 11 11 30 30 30 5 5 5 11 11 11 30 30 30 7 7 7 7 8 8 8 8 11 11 11 11 12 12 12 24 24 24 32 32 32 9 9 9 12 12 12 24 24 24 8 8 8 12 12 12 32 32 32 4 4 4 8 8 8 12 12 12 4 4 4 9 9 9 12 12 12 9 9 9 13 13 13 30 30 30 2 2 2 8 8 8 13 13 13 3 3 3 3 8 8 8 8 13 13 13 13 2 2 2 14 14 14 30 30 30 1 1 1 14 14 14 30 30 30 6 6 6 6 7 7 7 7 14 14 14 14 1 1 1 15 15 15 24 24 24 5 5 5 7 7 7 15 15 15 1 1 1 5 5 5 15 15 15 5 5 5 6 6 6 16 16 16 2 2 2 5 5 5 16 16 16 2 2 2 4 4 4 17 17 17 4 4 4 18 18 18 30 30 30 3 3 3 3 18 18 18 18 24 24 24 24 20 20 23 23 30 30 21 21 21 21 21 23 23 23 23 23 19 19 19 22 22 22 1 1 1 9 9 9 25 25 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 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 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 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 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 21 21 21 21 21 21 24 24 24 24 24 24 24 24 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 24 24 24 24 24 24 24 24 24 30 30 30 30 30 30 30 30 30 30 30 30 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 30 30 30 30 30 30 30 30 30 30 30 30 4 4 4 4 4 4 4 4 4 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 24 24 24 24 24 24 24 24 24 32 32 32 32 32 32 32 32 32 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 30 30 30 30 30 30 30 30 30 30 30 30 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 30 30 30 30 30 30 30 30 30 30 30 30 7 7 7 7 7 7 7 7 7 24 24 24 24 24 24 24 24 24 32 32 32 32 32 32 32 32 32 8 8 8 8 8 8 8 8 8 32 32 32 32 32 32 32 32 32 32 32 32 32 32 32 32 32 32 24 24 24 24 24 24 24 24 24 30 30 30 30 30 30 30 30 30 30 30 30 21 21 21 21 21 21 30 30 30 30 30 30 30 30 30 30 26 26 26 26 26 26 32 32 32 32 32 32 32 32 2 7 14 2 7 14 2 7 14 7 15 32 7 15 32 7 15 32 3 4 18 3 4 18 3 4 18 3 25 32 3 25 32 3 25 32 2 4 19 20 2 4 19 20 2 4 19 20 3 9 13 3 9 13 3 9 13 1 6 14 1 6 14 1 6 14 6 16 32 6 16 32 6 16 32 3 17 32 3 17 32 3 17 32 1 9 19 20 1 9 19 20 1 9 19 20 2 13 30 2 13 30 2 13 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0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1688.6177399999995 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AuxInfo=1/0/N:19,21,26,27;30,1,5,9,2,4,6,24,7,3,8,32,10,14,18,11,13,15,25,16,12,17,31/E:;(2,3,4,5,6)(7,8,9,10,11)(13,14,15,16,17)(18,19,20,21,22)/CRV:1.3,2.3;1.5,2.6,3.6,4.6,5.6,6.6,7.6,8.6,9.6,10.6,11.6,12.6/rA:32nB6B6B6B6B6B6B6B6B6IIIIIIIIIC3HC3HHB6ICIHHB5IB6/rB:;;s2s3;s1s2;s1s5;s2s5s6;s2s3s4s7;s1s3s4;s1;s2;s3;s4;s5;s6;s7;s8;s9;;s19;s19;s21;s19;s1s3s6s9;s24;s21;s26;s26;s26;s1s2s4s5s9;;s3s6s7s8s24s31;/rC:-.1062,-1.4742,.6273;-.0128,1.3813,.8899;.5904,.1538,-1.6468;-.6693,.9969,-.7114;.3369,-.1475,1.7181;1.6038,-1.0039,.8057;1.6618,.778,.9689;1.0342,1.4931,-.5466;-.7256,-.7663,-.8744;-.9065,-3.3506,1.3967;-.6814,3.139,1.9926;.7455,.3491,-3.7975;-2.1773,2.2626,-1.6495;.1273,-.337,3.8801;3.0489,-2.2882,1.7804;3.1809,1.7677,2.1525;1.7521,3.3938,-1.2953;-2.2769,-1.7558,-2.0485;-3.3299,-.1417,1.8357;-2.7677,-.7754,2.5101;-4.1866,-.6607,.9476;-4.2656,-1.7354,.8326;-3.2407,.9307,1.9765;.9422,-1.3892,-.8107;1.5464,-3.163,-1.8956;-4.9665,.1741,.0246;-7.1337,.0385,.4597;-4.7497,1.2326,.1089;-4.9237,-.1518,-1.009;-1.0248,-.0055,.6547;4.0304,.0221,-1.4218;2.0277,.0113,-.5996; 0.0332973 0.0234545 0.0232650 0.7632 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=11111111111111111111111111111111 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. 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. There are 99 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 0. 93 vectors produced by pass 0 Test12= 3.66D-13 1.01D-09 XBig12= 1.81D-01 9.57D-02. AX will form 93 AO Fock derivatives at one time. 93 vectors produced by pass 1 Test12= 3.66D-13 1.01D-09 XBig12= 2.55D-02 2.80D-02. 93 vectors produced by pass 2 Test12= 3.66D-13 1.01D-09 XBig12= 1.25D-03 7.35D-03. 93 vectors produced by pass 3 Test12= 3.66D-13 1.01D-09 XBig12= 5.34D-05 1.04D-03. 93 vectors produced by pass 4 Test12= 3.66D-13 1.01D-09 XBig12= 2.18D-06 1.74D-04. 93 vectors produced by pass 5 Test12= 3.66D-13 1.01D-09 XBig12= 6.09D-08 2.89D-05. 93 vectors produced by pass 6 Test12= 3.66D-13 1.01D-09 XBig12= 1.23D-09 2.96D-06. 93 vectors produced by pass 7 Test12= 3.66D-13 1.01D-09 XBig12= 1.96D-11 3.99D-07. 79 vectors produced by pass 8 Test12= 3.66D-13 1.01D-09 XBig12= 3.21D-13 3.78D-08. 26 vectors produced by pass 9 Test12= 3.66D-13 1.01D-09 XBig12= 1.01D-14 5.68D-09. 16 vectors produced by pass 10 Test12= 3.66D-13 1.01D-09 XBig12= 1.74D-14 7.37D-09. 16 vectors produced by pass 11 Test12= 3.66D-13 1.01D-09 XBig12= 8.48D-13 6.72D-08. 16 vectors produced by pass 12 Test12= 3.66D-13 1.01D-09 XBig12= 4.60D-13 2.69D-08. 14 vectors produced by pass 13 Test12= 3.66D-13 1.01D-09 XBig12= 1.48D-13 1.52D-08. 14 vectors produced by pass 14 Test12= 3.66D-13 1.01D-09 XBig12= 1.29D-13 1.25D-08. 14 vectors produced by pass 15 Test12= 3.66D-13 1.01D-09 XBig12= 1.77D-13 1.63D-08. 14 vectors produced by pass 16 Test12= 3.66D-13 1.01D-09 XBig12= 2.16D-13 1.43D-08. 13 vectors produced by pass 17 Test12= 3.66D-13 1.01D-09 XBig12= 1.19D-13 1.22D-08. 13 vectors produced by pass 18 Test12= 3.66D-13 1.01D-09 XBig12= 2.38D-13 1.89D-08. 13 vectors produced by pass 19 Test12= 3.66D-13 1.01D-09 XBig12= 3.12D-13 2.30D-08. 13 vectors produced by pass 20 Test12= 3.66D-13 1.01D-09 XBig12= 3.17D-13 1.77D-08. 13 vectors produced by pass 21 Test12= 3.66D-13 1.01D-09 XBig12= 2.80D-13 1.69D-08. 12 vectors produced by pass 22 Test12= 3.66D-13 1.01D-09 XBig12= 3.63D-13 1.87D-08. 12 vectors produced by pass 23 Test12= 3.66D-13 1.01D-09 XBig12= 2.33D-13 1.42D-08. 11 vectors produced by pass 24 Test12= 3.66D-13 1.01D-09 XBig12= 1.90D-13 1.40D-08. 10 vectors produced by pass 25 Test12= 3.66D-13 1.01D-09 XBig12= 2.28D-13 1.69D-08. 8 vectors produced by pass 26 Test12= 3.66D-13 1.01D-09 XBig12= 8.39D-14 8.76D-09. 8 vectors produced by pass 27 Test12= 3.66D-13 1.01D-09 XBig12= 2.57D-13 1.66D-08. 8 vectors produced by pass 28 Test12= 3.66D-13 1.01D-09 XBig12= 8.82D-14 1.04D-08. 8 vectors produced by pass 29 Test12= 3.66D-13 1.01D-09 XBig12= 2.68D-13 1.94D-08. 8 vectors produced by pass 30 Test12= 3.66D-13 1.01D-09 XBig12= 2.39D-13 1.40D-08. 8 vectors produced by pass 31 Test12= 3.66D-13 1.01D-09 XBig12= 3.11D-13 1.63D-08. 7 vectors produced by pass 32 Test12= 3.66D-13 1.01D-09 XBig12= 1.10D-13 1.14D-08. 7 vectors produced by pass 33 Test12= 3.66D-13 1.01D-09 XBig12= 5.97D-13 2.45D-08. 6 vectors produced by pass 34 Test12= 3.66D-13 1.01D-09 XBig12= 8.40D-14 1.17D-08. 6 vectors produced by pass 35 Test12= 3.66D-13 1.01D-09 XBig12= 1.93D-13 1.35D-08. 5 vectors produced by pass 36 Test12= 3.66D-13 1.01D-09 XBig12= 6.75D-14 7.24D-09. 5 vectors produced by pass 37 Test12= 3.66D-13 1.01D-09 XBig12= 4.11D-13 1.74D-08. 5 vectors produced by pass 38 Test12= 3.66D-13 1.01D-09 XBig12= 9.88D-14 7.87D-09. 5 vectors produced by pass 39 Test12= 3.66D-13 1.01D-09 XBig12= 2.11D-13 1.31D-08. 5 vectors produced by pass 40 Test12= 3.66D-13 1.01D-09 XBig12= 1.30D-13 9.98D-09. 5 vectors produced by pass 41 Test12= 3.66D-13 1.01D-09 XBig12= 1.35D-13 1.01D-08. 5 vectors produced by pass 42 Test12= 3.66D-13 1.01D-09 XBig12= 6.51D-14 7.95D-09. 5 vectors produced by pass 43 Test12= 3.66D-13 1.01D-09 XBig12= 1.41D-13 1.01D-08. 5 vectors produced by pass 44 Test12= 3.66D-13 1.01D-09 XBig12= 1.16D-13 1.10D-08. 5 vectors produced by pass 45 Test12= 3.66D-13 1.01D-09 XBig12= 2.13D-13 1.40D-08. 5 vectors produced by pass 46 Test12= 3.66D-13 1.01D-09 XBig12= 1.46D-13 1.19D-08. 5 vectors produced by pass 47 Test12= 3.66D-13 1.01D-09 XBig12= 1.17D-13 1.03D-08. 5 vectors produced by pass 48 Test12= 3.66D-13 1.01D-09 XBig12= 9.10D-14 9.18D-09. 5 vectors produced by pass 49 Test12= 3.66D-13 1.01D-09 XBig12= 2.32D-13 1.30D-08. 5 vectors produced by pass 50 Test12= 3.66D-13 1.01D-09 XBig12= 1.12D-13 9.23D-09. 5 vectors produced by pass 51 Test12= 3.66D-13 1.01D-09 XBig12= 1.07D-13 8.80D-09. 5 vectors produced by pass 52 Test12= 3.66D-13 1.01D-09 XBig12= 1.65D-13 1.24D-08. 5 vectors produced by pass 53 Test12= 3.66D-13 1.01D-09 XBig12= 8.11D-14 8.61D-09. 5 vectors produced by pass 54 Test12= 3.66D-13 1.01D-09 XBig12= 2.48D-13 1.63D-08. 5 vectors produced by pass 55 Test12= 3.66D-13 1.01D-09 XBig12= 1.17D-13 9.48D-09. 5 vectors produced by pass 56 Test12= 3.66D-13 1.01D-09 XBig12= 1.58D-13 1.27D-08. 5 vectors produced by pass 57 Test12= 3.66D-13 1.01D-09 XBig12= 7.35D-14 7.06D-09. 5 vectors produced by pass 58 Test12= 3.66D-13 1.01D-09 XBig12= 1.78D-13 1.25D-08. 5 vectors produced by pass 59 Test12= 3.66D-13 1.01D-09 XBig12= 4.60D-14 5.51D-09. 5 vectors produced by pass 60 Test12= 3.66D-13 1.01D-09 XBig12= 1.73D-13 1.44D-08. 5 vectors produced by pass 61 Test12= 3.66D-13 1.01D-09 XBig12= 1.49D-13 1.21D-08. 5 vectors produced by pass 62 Test12= 3.66D-13 1.01D-09 XBig12= 1.80D-13 1.21D-08. 5 vectors produced by pass 63 Test12= 3.66D-13 1.01D-09 XBig12= 1.07D-13 1.18D-08. 5 vectors produced by pass 64 Test12= 3.66D-13 1.01D-09 XBig12= 1.96D-13 1.34D-08. 5 vectors produced by pass 65 Test12= 3.66D-13 1.01D-09 XBig12= 9.60D-14 8.89D-09. 5 vectors produced by pass 66 Test12= 3.66D-13 1.01D-09 XBig12= 1.05D-13 9.39D-09. 5 vectors produced by pass 67 Test12= 3.66D-13 1.01D-09 XBig12= 1.01D-13 8.48D-09. 5 vectors produced by pass 68 Test12= 3.66D-13 1.01D-09 XBig12= 1.78D-13 1.32D-08. 5 vectors produced by pass 69 Test12= 3.66D-13 1.01D-09 XBig12= 7.48D-14 7.36D-09. 5 vectors produced by pass 70 Test12= 3.66D-13 1.01D-09 XBig12= 1.14D-13 9.68D-09. 5 vectors produced by pass 71 Test12= 3.66D-13 1.01D-09 XBig12= 2.00D-13 1.35D-08. 5 vectors produced by pass 72 Test12= 3.66D-13 1.01D-09 XBig12= 1.45D-13 1.09D-08. 5 vectors produced by pass 73 Test12= 3.66D-13 1.01D-09 XBig12= 1.88D-13 1.04D-08. 5 vectors produced by pass 74 Test12= 3.66D-13 1.01D-09 XBig12= 1.63D-13 1.03D-08. 5 vectors produced by pass 75 Test12= 3.66D-13 1.01D-09 XBig12= 1.64D-13 1.01D-08. 5 vectors produced by pass 76 Test12= 3.66D-13 1.01D-09 XBig12= 1.85D-13 1.41D-08. 5 vectors produced by pass 77 Test12= 3.66D-13 1.01D-09 XBig12= 1.66D-13 1.35D-08. 5 vectors produced by pass 78 Test12= 3.66D-13 1.01D-09 XBig12= 1.80D-13 1.11D-08. 5 vectors produced by pass 79 Test12= 3.66D-13 1.01D-09 XBig12= 2.30D-13 1.48D-08. 5 vectors produced by pass 80 Test12= 3.66D-13 1.01D-09 XBig12= 7.00D-14 6.81D-09. 5 vectors produced by pass 81 Test12= 3.66D-13 1.01D-09 XBig12= 9.22D-14 8.55D-09. 5 vectors produced by pass 82 Test12= 3.66D-13 1.01D-09 XBig12= 1.90D-13 1.33D-08. 5 vectors produced by pass 83 Test12= 3.66D-13 1.01D-09 XBig12= 1.00D-13 7.65D-09. 5 vectors produced by pass 84 Test12= 3.66D-13 1.01D-09 XBig12= 1.17D-13 9.50D-09. 5 vectors produced by pass 85 Test12= 3.66D-13 1.01D-09 XBig12= 1.61D-13 1.17D-08. 5 vectors produced by pass 86 Test12= 3.66D-13 1.01D-09 XBig12= 1.11D-13 9.54D-09. 5 vectors produced by pass 87 Test12= 3.66D-13 1.01D-09 XBig12= 1.06D-13 8.67D-09. 5 vectors produced by pass 88 Test12= 3.66D-13 1.01D-09 XBig12= 1.67D-13 1.09D-08. 5 vectors produced by pass 89 Test12= 3.66D-13 1.01D-09 XBig12= 1.13D-13 8.81D-09. 5 vectors produced by pass 90 Test12= 3.66D-13 1.01D-09 XBig12= 9.67D-14 7.38D-09. 5 vectors produced by pass 91 Test12= 3.66D-13 1.01D-09 XBig12= 2.41D-13 1.42D-08. 5 vectors produced by pass 92 Test12= 3.66D-13 1.01D-09 XBig12= 1.16D-13 8.64D-09. 5 vectors produced by pass 93 Test12= 3.66D-13 1.01D-09 XBig12= 2.42D-13 2.07D-08. 5 vectors produced by pass 94 Test12= 3.66D-13 1.01D-09 XBig12= 1.20D-13 1.05D-08. 5 vectors produced by pass 95 Test12= 3.66D-13 1.01D-09 XBig12= 1.68D-13 1.01D-08. 5 vectors produced by pass 96 Test12= 3.66D-13 1.01D-09 XBig12= 7.96D-14 8.05D-09. 5 vectors produced by pass 97 Test12= 3.66D-13 1.01D-09 XBig12= 1.57D-13 1.10D-08. 5 vectors produced by pass 98 Test12= 3.66D-13 1.01D-09 XBig12= 2.63D-13 1.35D-08. 5 vectors produced by pass 99 Test12= 3.66D-13 1.01D-09 XBig12= 1.55D-13 9.28D-09. 5 vectors produced by pass100 Test12= 3.66D-13 1.01D-09 XBig12= 1.18D-13 9.00D-09. 5 vectors produced by pass101 Test12= 3.66D-13 1.01D-09 XBig12= 8.35D-14 8.74D-09. 5 vectors produced by pass102 Test12= 3.66D-13 1.01D-09 XBig12= 7.68D-14 7.34D-09. 5 vectors produced by pass103 Test12= 3.66D-13 1.01D-09 XBig12= 1.04D-13 9.47D-09. 5 vectors produced by pass104 Test12= 3.66D-13 1.01D-09 XBig12= 1.00D-13 7.91D-09. 5 vectors produced by pass105 Test12= 3.66D-13 1.01D-09 XBig12= 5.70D-14 6.63D-09. 5 vectors produced by pass106 Test12= 3.66D-13 1.01D-09 XBig12= 2.48D-13 1.61D-08. 5 vectors produced by pass107 Test12= 3.66D-13 1.01D-09 XBig12= 8.27D-14 6.92D-09. 5 vectors produced by pass108 Test12= 3.66D-13 1.01D-09 XBig12= 2.04D-13 1.48D-08. 5 vectors produced by pass109 Test12= 3.66D-13 1.01D-09 XBig12= 6.40D-14 6.39D-09. 5 vectors produced by pass110 Test12= 3.66D-13 1.01D-09 XBig12= 7.34D-14 8.57D-09. 5 vectors produced by pass111 Test12= 3.66D-13 1.01D-09 XBig12= 1.66D-13 9.04D-09. 5 vectors produced by pass112 Test12= 3.66D-13 1.01D-09 XBig12= 9.72D-14 7.14D-09. 5 vectors produced by pass113 Test12= 3.66D-13 1.01D-09 XBig12= 2.02D-13 1.35D-08. 5 vectors produced by pass114 Test12= 3.66D-13 1.01D-09 XBig12= 2.17D-13 1.14D-08. 5 vectors produced by pass115 Test12= 3.66D-13 1.01D-09 XBig12= 1.30D-13 1.53D-08. 5 vectors produced by pass116 Test12= 3.66D-13 1.01D-09 XBig12= 1.20D-13 1.12D-08. 5 vectors produced by pass117 Test12= 3.66D-13 1.01D-09 XBig12= 2.15D-13 1.42D-08. 5 vectors produced by pass118 Test12= 3.66D-13 1.01D-09 XBig12= 9.29D-14 8.81D-09. 5 vectors produced by pass119 Test12= 3.66D-13 1.01D-09 XBig12= 1.75D-13 1.13D-08. 5 vectors produced by pass120 Test12= 3.66D-13 1.01D-09 XBig12= 1.50D-13 1.13D-08. 5 vectors produced by pass121 Test12= 3.66D-13 1.01D-09 XBig12= 2.02D-13 1.36D-08. 5 vectors produced by pass122 Test12= 3.66D-13 1.01D-09 XBig12= 6.17D-14 7.30D-09. 5 vectors produced by pass123 Test12= 3.66D-13 1.01D-09 XBig12= 9.98D-14 7.84D-09. 5 vectors produced by pass124 Test12= 3.66D-13 1.01D-09 XBig12= 2.42D-13 1.34D-08. 5 vectors produced by pass125 Test12= 3.66D-13 1.01D-09 XBig12= 8.98D-14 7.93D-09. 5 vectors produced by pass126 Test12= 3.66D-13 1.01D-09 XBig12= 1.72D-13 1.07D-08. 5 vectors produced by pass127 Test12= 3.66D-13 1.01D-09 XBig12= 1.63D-13 9.28D-09. 5 vectors produced by pass128 Test12= 3.66D-13 1.01D-09 XBig12= 8.56D-14 7.07D-09. 5 vectors produced by pass129 Test12= 3.66D-13 1.01D-09 XBig12= 1.86D-13 1.29D-08. 5 vectors produced by pass130 Test12= 3.66D-13 1.01D-09 XBig12= 1.17D-13 7.78D-09. 5 vectors produced by pass131 Test12= 3.66D-13 1.01D-09 XBig12= 1.37D-13 8.99D-09. 5 vectors produced by pass132 Test12= 3.66D-13 1.01D-09 XBig12= 1.93D-13 9.87D-09. 5 vectors produced by pass133 Test12= 3.66D-13 1.01D-09 XBig12= 1.47D-13 9.63D-09. 5 vectors produced by pass134 Test12= 3.66D-13 1.01D-09 XBig12= 1.13D-13 9.79D-09. 5 vectors produced by pass135 Test12= 3.66D-13 1.01D-09 XBig12= 1.86D-13 1.22D-08. 5 vectors produced by pass136 Test12= 3.66D-13 1.01D-09 XBig12= 9.59D-14 8.36D-09. 5 vectors produced by pass137 Test12= 3.66D-13 1.01D-09 XBig12= 1.54D-13 1.17D-08. 5 vectors produced by pass138 Test12= 3.66D-13 1.01D-09 XBig12= 1.21D-13 9.46D-09. 5 vectors produced by pass139 Test12= 3.66D-13 1.01D-09 XBig12= 1.10D-13 7.92D-09. 5 vectors produced by pass140 Test12= 3.66D-13 1.01D-09 XBig12= 1.67D-13 1.13D-08. 4 vectors produced by pass141 Test12= 3.66D-13 1.01D-09 XBig12= 5.14D-14 6.17D-09. 4 vectors produced by pass142 Test12= 3.66D-13 1.01D-09 XBig12= 1.94D-13 1.41D-08. 4 vectors produced by pass143 Test12= 3.66D-13 1.01D-09 XBig12= 7.98D-14 7.83D-09. 4 vectors produced by pass144 Test12= 3.66D-13 1.01D-09 XBig12= 1.48D-13 1.05D-08. 4 vectors produced by pass145 Test12= 3.66D-13 1.01D-09 XBig12= 1.98D-13 1.12D-08. 4 vectors produced by pass146 Test12= 3.66D-13 1.01D-09 XBig12= 9.55D-14 7.61D-09. 4 vectors produced by pass147 Test12= 3.66D-13 1.01D-09 XBig12= 2.39D-13 1.18D-08. 4 vectors produced by pass148 Test12= 3.66D-13 1.01D-09 XBig12= 1.04D-13 7.71D-09. 4 vectors produced by pass149 Test12= 3.66D-13 1.01D-09 XBig12= 1.21D-13 8.59D-09. 4 vectors produced by pass150 Test12= 3.66D-13 1.01D-09 XBig12= 1.04D-13 7.89D-09. 4 vectors produced by pass151 Test12= 3.66D-13 1.01D-09 XBig12= 1.68D-13 1.07D-08. 4 vectors produced by pass152 Test12= 3.66D-13 1.01D-09 XBig12= 8.38D-14 7.47D-09. 4 vectors produced by pass153 Test12= 3.66D-13 1.01D-09 XBig12= 1.77D-13 1.05D-08. 4 vectors produced by pass154 Test12= 3.66D-13 1.01D-09 XBig12= 1.08D-13 7.70D-09. 4 vectors produced by pass155 Test12= 3.66D-13 1.01D-09 XBig12= 1.67D-13 1.05D-08. 4 vectors produced by pass156 Test12= 3.66D-13 1.01D-09 XBig12= 1.15D-13 9.28D-09. 4 vectors produced by pass157 Test12= 3.66D-13 1.01D-09 XBig12= 1.02D-13 7.33D-09. 4 vectors produced by pass158 Test12= 3.66D-13 1.01D-09 XBig12= 1.72D-13 1.22D-08. 4 vectors produced by pass159 Test12= 3.66D-13 1.01D-09 XBig12= 1.38D-13 1.01D-08. 4 vectors produced by pass160 Test12= 3.66D-13 1.01D-09 XBig12= 1.48D-13 9.84D-09. 4 vectors produced by pass161 Test12= 3.66D-13 1.01D-09 XBig12= 1.53D-13 9.32D-09. 4 vectors produced by pass162 Test12= 3.66D-13 1.01D-09 XBig12= 8.43D-14 7.46D-09. 4 vectors produced by pass163 Test12= 3.66D-13 1.01D-09 XBig12= 2.39D-13 9.99D-09. 4 vectors produced by pass164 Test12= 3.66D-13 1.01D-09 XBig12= 9.70D-14 8.29D-09. 4 vectors produced by pass165 Test12= 3.66D-13 1.01D-09 XBig12= 1.18D-13 8.82D-09. 4 vectors produced by pass166 Test12= 3.66D-13 1.01D-09 XBig12= 1.68D-13 1.04D-08. 4 vectors produced by pass167 Test12= 3.66D-13 1.01D-09 XBig12= 1.19D-13 1.08D-08. 4 vectors produced by pass168 Test12= 3.66D-13 1.01D-09 XBig12= 1.12D-13 8.61D-09. 4 vectors produced by pass169 Test12= 3.66D-13 1.01D-09 XBig12= 2.16D-13 1.05D-08. 4 vectors produced by pass170 Test12= 3.66D-13 1.01D-09 XBig12= 1.39D-13 1.10D-08. 4 vectors produced by pass171 Test12= 3.66D-13 1.01D-09 XBig12= 1.10D-13 8.38D-09. 4 vectors produced by pass172 Test12= 3.66D-13 1.01D-09 XBig12= 1.56D-13 1.16D-08. 4 vectors produced by pass173 Test12= 3.66D-13 1.01D-09 XBig12= 1.18D-13 7.86D-09. 4 vectors produced by pass174 Test12= 3.66D-13 1.01D-09 XBig12= 1.54D-13 9.40D-09. 4 vectors produced by pass175 Test12= 3.66D-13 1.01D-09 XBig12= 1.12D-13 1.00D-08. 4 vectors produced by pass176 Test12= 3.66D-13 1.01D-09 XBig12= 1.40D-13 9.14D-09. 4 vectors produced by pass177 Test12= 3.66D-13 1.01D-09 XBig12= 1.55D-13 8.37D-09. 4 vectors produced by pass178 Test12= 3.66D-13 1.01D-09 XBig12= 1.57D-13 8.43D-09. 4 vectors produced by pass179 Test12= 3.66D-13 1.01D-09 XBig12= 1.07D-13 8.33D-09. 4 vectors produced by pass180 Test12= 3.66D-13 1.01D-09 XBig12= 1.34D-13 9.31D-09. 4 vectors produced by pass181 Test12= 3.66D-13 1.01D-09 XBig12= 9.12D-14 8.31D-09. 4 vectors produced by pass182 Test12= 3.66D-13 1.01D-09 XBig12= 1.60D-13 9.74D-09. 4 vectors produced by pass183 Test12= 3.66D-13 1.01D-09 XBig12= 1.08D-13 7.94D-09. 4 vectors produced by pass184 Test12= 3.66D-13 1.01D-09 XBig12= 1.55D-13 9.88D-09. 4 vectors produced by pass185 Test12= 3.66D-13 1.01D-09 XBig12= 9.12D-14 9.05D-09. 4 vectors produced by pass186 Test12= 3.66D-13 1.01D-09 XBig12= 8.92D-14 7.81D-09. 4 vectors produced by pass187 Test12= 3.66D-13 1.01D-09 XBig12= 1.29D-13 1.26D-08. 4 vectors produced by pass188 Test12= 3.66D-13 1.01D-09 XBig12= 8.67D-14 8.54D-09. 4 vectors produced by pass189 Test12= 3.66D-13 1.01D-09 XBig12= 1.35D-13 8.77D-09. 4 vectors produced by pass190 Test12= 3.66D-13 1.01D-09 XBig12= 1.39D-13 1.21D-08. 4 vectors produced by pass191 Test12= 3.66D-13 1.01D-09 XBig12= 1.54D-13 7.87D-09. 4 vectors produced by pass192 Test12= 3.66D-13 1.01D-09 XBig12= 8.26D-14 7.83D-09. 4 vectors produced by pass193 Test12= 3.66D-13 1.01D-09 XBig12= 1.80D-13 1.11D-08. 4 vectors produced by pass194 Test12= 3.66D-13 1.01D-09 XBig12= 1.29D-13 9.89D-09. 4 vectors produced by pass195 Test12= 3.66D-13 1.01D-09 XBig12= 1.32D-13 1.06D-08. 4 vectors produced by pass196 Test12= 3.66D-13 1.01D-09 XBig12= 1.73D-13 9.70D-09. 4 vectors produced by pass197 Test12= 3.66D-13 1.01D-09 XBig12= 1.06D-13 9.53D-09. 4 vectors produced by pass198 Test12= 3.66D-13 1.01D-09 XBig12= 1.28D-13 7.67D-09. 4 vectors produced by pass199 Test12= 3.66D-13 1.01D-09 XBig12= 1.01D-13 8.31D-09. 4 vectors produced by pass200 Test12= 3.66D-13 1.01D-09 XBig12= 1.31D-13 9.26D-09. 4 vectors produced by pass201 Test12= 3.66D-13 1.01D-09 XBig12= 9.87D-14 8.51D-09. 4 vectors produced by pass202 Test12= 3.66D-13 1.01D-09 XBig12= 1.14D-13 8.15D-09. 4 vectors produced by pass203 Test12= 3.66D-13 1.01D-09 XBig12= 5.60D-14 5.23D-09. 4 vectors produced by pass204 Test12= 3.66D-13 1.01D-09 XBig12= 1.78D-13 9.70D-09. 3 vectors produced by pass205 Test12= 3.66D-13 1.01D-09 XBig12= 3.35D-14 4.13D-09. 3 vectors produced by pass206 Test12= 3.66D-13 1.01D-09 XBig12= 1.47D-13 9.56D-09. 3 vectors produced by pass207 Test12= 3.66D-13 1.01D-09 XBig12= 1.01D-13 8.36D-09. 3 vectors produced by pass208 Test12= 3.66D-13 1.01D-09 XBig12= 1.23D-13 9.59D-09. 3 vectors produced by pass209 Test12= 3.66D-13 1.01D-09 XBig12= 7.70D-14 6.65D-09. 3 vectors produced by pass210 Test12= 3.66D-13 1.01D-09 XBig12= 1.35D-13 1.14D-08. 3 vectors produced by pass211 Test12= 3.66D-13 1.01D-09 XBig12= 2.03D-13 9.53D-09. 3 vectors produced by pass212 Test12= 3.66D-13 1.01D-09 XBig12= 1.31D-13 8.03D-09. 3 vectors produced by pass213 Test12= 3.66D-13 1.01D-09 XBig12= 1.13D-13 9.17D-09. 3 vectors produced by pass214 Test12= 3.66D-13 1.01D-09 XBig12= 1.11D-13 7.32D-09. 3 vectors produced by pass215 Test12= 3.66D-13 1.01D-09 XBig12= 1.10D-13 8.72D-09. 3 vectors produced by pass216 Test12= 3.66D-13 1.01D-09 XBig12= 8.74D-14 7.57D-09. 3 vectors produced by pass217 Test12= 3.66D-13 1.01D-09 XBig12= 1.37D-13 8.72D-09. 3 vectors produced by pass218 Test12= 3.66D-13 1.01D-09 XBig12= 8.22D-14 6.05D-09. 3 vectors produced by pass219 Test12= 3.66D-13 1.01D-09 XBig12= 1.36D-13 9.62D-09. 3 vectors produced by pass220 Test12= 3.66D-13 1.01D-09 XBig12= 2.68D-13 1.19D-08. 3 vectors produced by pass221 Test12= 3.66D-13 1.01D-09 XBig12= 1.10D-13 8.58D-09. 3 vectors produced by pass222 Test12= 3.66D-13 1.01D-09 XBig12= 1.13D-13 9.00D-09. 3 vectors produced by pass223 Test12= 3.66D-13 1.01D-09 XBig12= 1.66D-13 9.14D-09. 3 vectors produced by pass224 Test12= 3.66D-13 1.01D-09 XBig12= 7.68D-14 6.06D-09. 3 vectors produced by pass225 Test12= 3.66D-13 1.01D-09 XBig12= 1.23D-13 9.67D-09. 3 vectors produced by pass226 Test12= 3.66D-13 1.01D-09 XBig12= 1.32D-13 7.44D-09. 3 vectors produced by pass227 Test12= 3.66D-13 1.01D-09 XBig12= 9.90D-14 7.10D-09. 3 vectors produced by pass228 Test12= 3.66D-13 1.01D-09 XBig12= 9.06D-14 6.68D-09. 3 vectors produced by pass229 Test12= 3.66D-13 1.01D-09 XBig12= 6.97D-14 6.64D-09. 3 vectors produced by pass230 Test12= 3.66D-13 1.01D-09 XBig12= 4.77D-14 5.09D-09. 3 vectors produced by pass231 Test12= 3.66D-13 1.01D-09 XBig12= 9.15D-14 7.22D-09. 3 vectors produced by pass232 Test12= 3.66D-13 1.01D-09 XBig12= 1.98D-13 1.01D-08. 3 vectors produced by pass233 Test12= 3.66D-13 1.01D-09 XBig12= 1.12D-13 7.02D-09. 3 vectors produced by pass234 Test12= 3.66D-13 1.01D-09 XBig12= 1.22D-13 8.79D-09. 3 vectors produced by pass235 Test12= 3.66D-13 1.01D-09 XBig12= 1.66D-13 8.78D-09. 3 vectors produced by pass236 Test12= 3.66D-13 1.01D-09 XBig12= 7.38D-14 6.13D-09. 3 vectors produced by pass237 Test12= 3.66D-13 1.01D-09 XBig12= 9.29D-14 6.34D-09. 3 vectors produced by pass238 Test12= 3.66D-13 1.01D-09 XBig12= 1.54D-13 8.43D-09. 3 vectors produced by pass239 Test12= 3.66D-13 1.01D-09 XBig12= 9.33D-14 5.87D-09. 3 vectors produced by pass240 Test12= 3.66D-13 1.01D-09 XBig12= 1.08D-13 7.00D-09. 3 vectors produced by pass241 Test12= 3.66D-13 1.01D-09 XBig12= 6.58D-14 5.43D-09. 3 vectors produced by pass242 Test12= 3.66D-13 1.01D-09 XBig12= 1.22D-13 8.72D-09. 3 vectors produced by pass243 Test12= 3.66D-13 1.01D-09 XBig12= 8.97D-14 7.63D-09. 3 vectors produced by pass244 Test12= 3.66D-13 1.01D-09 XBig12= 1.16D-13 7.95D-09. 3 vectors produced by pass245 Test12= 3.66D-13 1.01D-09 XBig12= 8.41D-14 7.10D-09. 3 vectors produced by pass246 Test12= 3.66D-13 1.01D-09 XBig12= 9.90D-14 9.11D-09. 3 vectors produced by pass247 Test12= 3.66D-13 1.01D-09 XBig12= 1.43D-13 8.33D-09. 3 vectors produced by pass248 Test12= 3.66D-13 1.01D-09 XBig12= 8.89D-14 6.74D-09. 3 vectors produced by pass249 Test12= 3.66D-13 1.01D-09 XBig12= 1.45D-13 8.69D-09. 3 vectors produced by pass250 Test12= 3.66D-13 1.01D-09 XBig12= 1.69D-13 1.13D-08. 3 vectors produced by pass251 Test12= 3.66D-13 1.01D-09 XBig12= 1.11D-13 7.95D-09. 3 vectors produced by pass252 Test12= 3.66D-13 1.01D-09 XBig12= 1.29D-13 7.84D-09. 3 vectors produced by pass253 Test12= 3.66D-13 1.01D-09 XBig12= 1.19D-13 7.83D-09. 3 vectors produced by pass254 Test12= 3.66D-13 1.01D-09 XBig12= 1.43D-13 9.95D-09. 3 vectors produced by pass255 Test12= 3.66D-13 1.01D-09 XBig12= 1.11D-13 7.12D-09. 3 vectors produced by pass256 Test12= 3.66D-13 1.01D-09 XBig12= 5.27D-14 5.21D-09. 3 vectors produced by pass257 Test12= 3.66D-13 1.01D-09 XBig12= 8.71D-14 7.53D-09. 3 vectors produced by pass258 Test12= 3.66D-13 1.01D-09 XBig12= 1.72D-13 1.18D-08. 3 vectors produced by pass259 Test12= 3.66D-13 1.01D-09 XBig12= 3.08D-14 4.34D-09. 3 vectors produced by pass260 Test12= 3.66D-13 1.01D-09 XBig12= 9.33D-14 6.29D-09. 3 vectors produced by pass261 Test12= 3.66D-13 1.01D-09 XBig12= 1.14D-13 8.18D-09. 3 vectors produced by pass262 Test12= 3.66D-13 1.01D-09 XBig12= 1.55D-13 1.09D-08. 3 vectors produced by pass263 Test12= 3.66D-13 1.01D-09 XBig12= 8.80D-14 7.92D-09. 3 vectors produced by pass264 Test12= 3.66D-13 1.01D-09 XBig12= 9.21D-14 7.05D-09. 3 vectors produced by pass265 Test12= 3.66D-13 1.01D-09 XBig12= 1.26D-13 7.95D-09. 3 vectors produced by pass266 Test12= 3.66D-13 1.01D-09 XBig12= 7.91D-14 5.82D-09. 3 vectors produced by pass267 Test12= 3.66D-13 1.01D-09 XBig12= 8.70D-14 6.89D-09. 3 vectors produced by pass268 Test12= 3.66D-13 1.01D-09 XBig12= 1.33D-13 8.78D-09. 3 vectors produced by pass269 Test12= 3.66D-13 1.01D-09 XBig12= 1.09D-13 7.00D-09. 3 vectors produced by pass270 Test12= 3.66D-13 1.01D-09 XBig12= 9.58D-14 7.69D-09. 3 vectors produced by pass271 Test12= 3.66D-13 1.01D-09 XBig12= 7.47D-14 5.75D-09. 3 vectors produced by pass272 Test12= 3.66D-13 1.01D-09 XBig12= 1.13D-13 7.38D-09. 3 vectors produced by pass273 Test12= 3.66D-13 1.01D-09 XBig12= 6.53D-14 6.25D-09. 3 vectors produced by pass274 Test12= 3.66D-13 1.01D-09 XBig12= 1.19D-13 8.76D-09. 3 vectors produced by pass275 Test12= 3.66D-13 1.01D-09 XBig12= 1.24D-13 8.92D-09. 3 vectors produced by pass276 Test12= 3.66D-13 1.01D-09 XBig12= 1.24D-13 8.19D-09. 3 vectors produced by pass277 Test12= 3.66D-13 1.01D-09 XBig12= 3.90D-14 4.97D-09. 3 vectors produced by pass278 Test12= 3.66D-13 1.01D-09 XBig12= 1.01D-13 7.03D-09. 3 vectors produced by pass279 Test12= 3.66D-13 1.01D-09 XBig12= 1.01D-13 7.64D-09. 3 vectors produced by pass280 Test12= 3.66D-13 1.01D-09 XBig12= 1.54D-13 9.43D-09. 3 vectors produced by pass281 Test12= 3.66D-13 1.01D-09 XBig12= 1.19D-13 9.04D-09. 3 vectors produced by pass282 Test12= 3.66D-13 1.01D-09 XBig12= 1.54D-13 9.83D-09. 3 vectors produced by pass283 Test12= 3.66D-13 1.01D-09 XBig12= 1.02D-13 6.29D-09. 3 vectors produced by pass284 Test12= 3.66D-13 1.01D-09 XBig12= 9.07D-14 7.76D-09. 3 vectors produced by pass285 Test12= 3.66D-13 1.01D-09 XBig12= 1.03D-13 7.05D-09. 3 vectors produced by pass286 Test12= 3.66D-13 1.01D-09 XBig12= 1.09D-13 7.80D-09. 3 vectors produced by pass287 Test12= 3.66D-13 1.01D-09 XBig12= 8.49D-14 7.45D-09. 3 vectors produced by pass288 Test12= 3.66D-13 1.01D-09 XBig12= 8.41D-14 8.96D-09. 3 vectors produced by pass289 Test12= 3.66D-13 1.01D-09 XBig12= 6.50D-14 7.53D-09. 3 vectors produced by pass290 Test12= 3.66D-13 1.01D-09 XBig12= 8.38D-14 8.27D-09. 3 vectors produced by pass291 Test12= 3.66D-13 1.01D-09 XBig12= 1.58D-13 9.38D-09. 3 vectors produced by pass292 Test12= 3.66D-13 1.01D-09 XBig12= 7.04D-14 5.91D-09. 3 vectors produced by pass293 Test12= 3.66D-13 1.01D-09 XBig12= 7.67D-14 6.14D-09. 3 vectors produced by pass294 Test12= 3.66D-13 1.01D-09 XBig12= 1.07D-13 6.30D-09. 3 vectors produced by pass295 Test12= 3.66D-13 1.01D-09 XBig12= 7.17D-14 6.32D-09. 3 vectors produced by pass296 Test12= 3.66D-13 1.01D-09 XBig12= 7.08D-14 5.59D-09. 3 vectors produced by pass297 Test12= 3.66D-13 1.01D-09 XBig12= 1.17D-13 7.65D-09. 3 vectors produced by pass298 Test12= 3.66D-13 1.01D-09 XBig12= 8.62D-14 7.42D-09. 3 vectors produced by pass299 Test12= 3.66D-13 1.01D-09 XBig12= 1.18D-13 7.31D-09. 3 vectors produced by pass300 Test12= 3.66D-13 1.01D-09 XBig12= 1.15D-13 7.16D-09. 3 vectors produced by pass301 Test12= 3.66D-13 1.01D-09 XBig12= 1.16D-13 6.99D-09. 3 vectors produced by pass302 Test12= 3.66D-13 1.01D-09 XBig12= 8.32D-14 6.63D-09. 3 vectors produced by pass303 Test12= 3.66D-13 1.01D-09 XBig12= 8.18D-14 6.88D-09. 3 vectors produced by pass304 Test12= 3.66D-13 1.01D-09 XBig12= 8.49D-14 8.54D-09. 3 vectors produced by pass305 Test12= 3.66D-13 1.01D-09 XBig12= 8.76D-14 6.22D-09. 3 vectors produced by pass306 Test12= 3.66D-13 1.01D-09 XBig12= 1.18D-13 8.19D-09. 3 vectors produced by pass307 Test12= 3.66D-13 1.01D-09 XBig12= 9.61D-14 7.00D-09. 3 vectors produced by pass308 Test12= 3.66D-13 1.01D-09 XBig12= 1.14D-13 9.02D-09. 3 vectors produced by pass309 Test12= 3.66D-13 1.01D-09 XBig12= 1.40D-13 9.41D-09. 3 vectors produced by pass310 Test12= 3.66D-13 1.01D-09 XBig12= 8.97D-14 6.81D-09. 3 vectors produced by pass311 Test12= 3.66D-13 1.01D-09 XBig12= 1.08D-13 7.29D-09. 3 vectors produced by pass312 Test12= 3.66D-13 1.01D-09 XBig12= 6.45D-14 6.10D-09. 3 vectors produced by pass313 Test12= 3.66D-13 1.01D-09 XBig12= 1.14D-13 8.46D-09. 3 vectors produced by pass314 Test12= 3.66D-13 1.01D-09 XBig12= 9.34D-14 6.55D-09. 3 vectors produced by pass315 Test12= 3.66D-13 1.01D-09 XBig12= 1.09D-13 6.68D-09. 3 vectors produced by pass316 Test12= 3.66D-13 1.01D-09 XBig12= 1.20D-13 8.22D-09. 3 vectors produced by pass317 Test12= 3.66D-13 1.01D-09 XBig12= 5.67D-14 5.57D-09. 3 vectors produced by pass318 Test12= 3.66D-13 1.01D-09 XBig12= 9.00D-14 6.89D-09. 3 vectors produced by pass319 Test12= 3.66D-13 1.01D-09 XBig12= 1.03D-13 7.16D-09. 3 vectors produced by pass320 Test12= 3.66D-13 1.01D-09 XBig12= 1.05D-13 8.11D-09. 3 vectors produced by pass321 Test12= 3.66D-13 1.01D-09 XBig12= 7.17D-14 5.21D-09. 3 vectors produced by pass322 Test12= 3.66D-13 1.01D-09 XBig12= 6.10D-14 5.38D-09. 3 vectors produced by pass323 Test12= 3.66D-13 1.01D-09 XBig12= 1.47D-13 1.06D-08. 3 vectors produced by pass324 Test12= 3.66D-13 1.01D-09 XBig12= 7.63D-14 6.79D-09. 3 vectors produced by pass325 Test12= 3.66D-13 1.01D-09 XBig12= 1.09D-13 8.62D-09. 3 vectors produced by pass326 Test12= 3.66D-13 1.01D-09 XBig12= 6.10D-14 5.22D-09. 3 vectors produced by pass327 Test12= 3.66D-13 1.01D-09 XBig12= 8.97D-14 6.14D-09. 3 vectors produced by pass328 Test12= 3.66D-13 1.01D-09 XBig12= 2.22D-13 9.90D-09. 3 vectors produced by pass329 Test12= 3.66D-13 1.01D-09 XBig12= 8.53D-14 6.16D-09. 3 vectors produced by pass330 Test12= 3.66D-13 1.01D-09 XBig12= 1.29D-13 8.22D-09. 3 vectors produced by pass331 Test12= 3.66D-13 1.01D-09 XBig12= 4.74D-14 4.93D-09. 3 vectors produced by pass332 Test12= 3.66D-13 1.01D-09 XBig12= 8.89D-14 6.36D-09. 3 vectors produced by pass333 Test12= 3.66D-13 1.01D-09 XBig12= 1.42D-13 8.38D-09. 3 vectors produced by pass334 Test12= 3.66D-13 1.01D-09 XBig12= 4.61D-14 4.72D-09. 3 vectors produced by pass335 Test12= 3.66D-13 1.01D-09 XBig12= 1.21D-13 8.13D-09. 3 vectors produced by pass336 Test12= 3.66D-13 1.01D-09 XBig12= 1.14D-13 7.65D-09. 3 vectors produced by pass337 Test12= 3.66D-13 1.01D-09 XBig12= 8.88D-14 6.60D-09. 3 vectors produced by pass338 Test12= 3.66D-13 1.01D-09 XBig12= 1.01D-13 7.27D-09. 3 vectors produced by pass339 Test12= 3.66D-13 1.01D-09 XBig12= 8.46D-14 5.90D-09. 3 vectors produced by pass340 Test12= 3.66D-13 1.01D-09 XBig12= 8.77D-14 6.33D-09. 3 vectors produced by pass341 Test12= 3.66D-13 1.01D-09 XBig12= 9.89D-14 6.27D-09. 3 vectors produced by pass342 Test12= 3.66D-13 1.01D-09 XBig12= 6.29D-14 6.45D-09. 3 vectors produced by pass343 Test12= 3.66D-13 1.01D-09 XBig12= 8.47D-14 8.19D-09. 3 vectors produced by pass344 Test12= 3.66D-13 1.01D-09 XBig12= 1.07D-13 7.66D-09. 3 vectors produced by pass345 Test12= 3.66D-13 1.01D-09 XBig12= 4.00D-14 4.61D-09. 3 vectors produced by pass346 Test12= 3.66D-13 1.01D-09 XBig12= 9.82D-14 7.30D-09. 3 vectors produced by pass347 Test12= 3.66D-13 1.01D-09 XBig12= 8.59D-14 7.46D-09. 3 vectors produced by pass348 Test12= 3.66D-13 1.01D-09 XBig12= 7.72D-14 5.96D-09. 3 vectors produced by pass349 Test12= 3.66D-13 1.01D-09 XBig12= 9.59D-14 7.54D-09. 3 vectors produced by pass350 Test12= 3.66D-13 1.01D-09 XBig12= 7.19D-14 7.01D-09. 3 vectors produced by pass351 Test12= 3.66D-13 1.01D-09 XBig12= 8.18D-14 7.26D-09. 3 vectors produced by pass352 Test12= 3.66D-13 1.01D-09 XBig12= 7.46D-14 6.93D-09. 3 vectors produced by pass353 Test12= 3.66D-13 1.01D-09 XBig12= 5.90D-14 5.70D-09. 3 vectors produced by pass354 Test12= 3.66D-13 1.01D-09 XBig12= 9.27D-14 6.68D-09. 3 vectors produced by pass355 Test12= 3.66D-13 1.01D-09 XBig12= 1.09D-13 8.65D-09. 3 vectors produced by pass356 Test12= 3.66D-13 1.01D-09 XBig12= 1.11D-13 8.42D-09. 3 vectors produced by pass357 Test12= 3.66D-13 1.01D-09 XBig12= 1.24D-13 8.21D-09. 3 vectors produced by pass358 Test12= 3.66D-13 1.01D-09 XBig12= 8.23D-14 7.30D-09. 3 vectors produced by pass359 Test12= 3.66D-13 1.01D-09 XBig12= 8.21D-14 6.98D-09. 3 vectors produced by pass360 Test12= 3.66D-13 1.01D-09 XBig12= 6.80D-14 6.12D-09. 3 vectors produced by pass361 Test12= 3.66D-13 1.01D-09 XBig12= 8.39D-14 6.18D-09. 3 vectors produced by pass362 Test12= 3.66D-13 1.01D-09 XBig12= 6.77D-14 5.89D-09. 3 vectors produced by pass363 Test12= 3.66D-13 1.01D-09 XBig12= 6.15D-14 5.92D-09. 3 vectors produced by pass364 Test12= 3.66D-13 1.01D-09 XBig12= 7.88D-14 5.70D-09. 3 vectors produced by pass365 Test12= 3.66D-13 1.01D-09 XBig12= 8.60D-14 6.88D-09. 3 vectors produced by pass366 Test12= 3.66D-13 1.01D-09 XBig12= 1.13D-13 7.16D-09. 3 vectors produced by pass367 Test12= 3.66D-13 1.01D-09 XBig12= 5.06D-14 5.02D-09. 3 vectors produced by pass368 Test12= 3.66D-13 1.01D-09 XBig12= 8.06D-14 6.64D-09. 3 vectors produced by pass369 Test12= 3.66D-13 1.01D-09 XBig12= 1.82D-13 8.50D-09. 3 vectors produced by pass370 Test12= 3.66D-13 1.01D-09 XBig12= 6.18D-14 6.19D-09. 3 vectors produced by pass371 Test12= 3.66D-13 1.01D-09 XBig12= 7.94D-14 6.70D-09. 3 vectors produced by pass372 Test12= 3.66D-13 1.01D-09 XBig12= 1.27D-13 1.01D-08. 3 vectors produced by pass373 Test12= 3.66D-13 1.01D-09 XBig12= 7.97D-14 6.43D-09. 3 vectors produced by pass374 Test12= 3.66D-13 1.01D-09 XBig12= 9.36D-14 6.66D-09. 3 vectors produced by pass375 Test12= 3.66D-13 1.01D-09 XBig12= 6.12D-14 6.15D-09. 3 vectors produced by pass376 Test12= 3.66D-13 1.01D-09 XBig12= 7.53D-14 7.24D-09. 3 vectors produced by pass377 Test12= 3.66D-13 1.01D-09 XBig12= 5.22D-14 5.84D-09. 3 vectors produced by pass378 Test12= 3.66D-13 1.01D-09 XBig12= 2.58D-14 3.64D-09. 3 vectors produced by pass379 Test12= 3.66D-13 1.01D-09 XBig12= 6.34D-14 7.12D-09. 3 vectors produced by pass380 Test12= 3.66D-13 1.01D-09 XBig12= 9.55D-14 7.21D-09. 3 vectors produced by pass381 Test12= 3.66D-13 1.01D-09 XBig12= 6.00D-14 5.74D-09. 3 vectors produced by pass382 Test12= 3.66D-13 1.01D-09 XBig12= 6.60D-14 5.02D-09. 3 vectors produced by pass383 Test12= 3.66D-13 1.01D-09 XBig12= 4.01D-14 5.53D-09. 3 vectors produced by pass384 Test12= 3.66D-13 1.01D-09 XBig12= 5.89D-14 6.19D-09. 3 vectors produced by pass385 Test12= 3.66D-13 1.01D-09 XBig12= 8.65D-14 7.91D-09. 3 vectors produced by pass386 Test12= 3.66D-13 1.01D-09 XBig12= 3.48D-14 3.72D-09. 3 vectors produced by pass387 Test12= 3.66D-13 1.01D-09 XBig12= 1.13D-13 7.22D-09. 3 vectors produced by pass388 Test12= 3.66D-13 1.01D-09 XBig12= 1.15D-13 8.19D-09. 3 vectors produced by pass389 Test12= 3.66D-13 1.01D-09 XBig12= 1.35D-13 8.36D-09. 3 vectors produced by pass390 Test12= 3.66D-13 1.01D-09 XBig12= 3.99D-14 4.26D-09. 3 vectors produced by pass391 Test12= 3.66D-13 1.01D-09 XBig12= 1.19D-13 7.01D-09. 3 vectors produced by pass392 Test12= 3.66D-13 1.01D-09 XBig12= 8.61D-14 6.94D-09. 3 vectors produced by pass393 Test12= 3.66D-13 1.01D-09 XBig12= 5.82D-14 5.51D-09. 3 vectors produced by pass394 Test12= 3.66D-13 1.01D-09 XBig12= 4.53D-14 5.33D-09. 3 vectors produced by pass395 Test12= 3.66D-13 1.01D-09 XBig12= 8.53D-14 6.29D-09. 3 vectors produced by pass396 Test12= 3.66D-13 1.01D-09 XBig12= 1.16D-13 7.56D-09. 3 vectors produced by pass397 Test12= 3.66D-13 1.01D-09 XBig12= 5.77D-14 6.29D-09. 3 vectors produced by pass398 Test12= 3.66D-13 1.01D-09 XBig12= 5.44D-14 5.42D-09. 3 vectors produced by pass399 Test12= 3.66D-13 1.01D-09 XBig12= 2.63D-14 3.63D-09. 3 vectors produced by pass400 Test12= 3.66D-13 1.01D-09 XBig12= 7.92D-14 6.69D-09. 3 vectors produced by pass401 Test12= 3.66D-13 1.01D-09 XBig12= 3.42D-14 4.26D-09. 3 vectors produced by pass402 Test12= 3.66D-13 1.01D-09 XBig12= 1.15D-13 7.38D-09. 3 vectors produced by pass403 Test12= 3.66D-13 1.01D-09 XBig12= 4.24D-14 4.38D-09. 3 vectors produced by pass404 Test12= 3.66D-13 1.01D-09 XBig12= 1.10D-13 8.01D-09. 3 vectors produced by pass405 Test12= 3.66D-13 1.01D-09 XBig12= 1.33D-13 8.36D-09. 3 vectors produced by pass406 Test12= 3.66D-13 1.01D-09 XBig12= 9.00D-14 6.47D-09. 3 vectors produced by pass407 Test12= 3.66D-13 1.01D-09 XBig12= 7.57D-14 6.37D-09. 3 vectors produced by pass408 Test12= 3.66D-13 1.01D-09 XBig12= 5.76D-14 6.00D-09. 3 vectors produced by pass409 Test12= 3.66D-13 1.01D-09 XBig12= 7.67D-14 6.32D-09. 3 vectors produced by pass410 Test12= 3.66D-13 1.01D-09 XBig12= 1.42D-13 9.83D-09. 3 vectors produced by pass411 Test12= 3.66D-13 1.01D-09 XBig12= 5.69D-14 5.44D-09. 3 vectors produced by pass412 Test12= 3.66D-13 1.01D-09 XBig12= 5.91D-14 5.42D-09. 3 vectors produced by pass413 Test12= 3.66D-13 1.01D-09 XBig12= 1.02D-13 8.61D-09. 3 vectors produced by pass414 Test12= 3.66D-13 1.01D-09 XBig12= 4.61D-14 4.32D-09. 3 vectors produced by pass415 Test12= 3.66D-13 1.01D-09 XBig12= 7.82D-14 6.14D-09. 3 vectors produced by pass416 Test12= 3.66D-13 1.01D-09 XBig12= 6.51D-14 6.72D-09. 3 vectors produced by pass417 Test12= 3.66D-13 1.01D-09 XBig12= 6.95D-14 5.00D-09. 3 vectors produced by pass418 Test12= 3.66D-13 1.01D-09 XBig12= 2.29D-14 4.10D-09. 3 vectors produced by pass419 Test12= 3.66D-13 1.01D-09 XBig12= 8.01D-14 6.92D-09. 3 vectors produced by pass420 Test12= 3.66D-13 1.01D-09 XBig12= 1.49D-13 8.18D-09. 3 vectors produced by pass421 Test12= 3.66D-13 1.01D-09 XBig12= 1.15D-13 7.89D-09. 3 vectors produced by pass422 Test12= 3.66D-13 1.01D-09 XBig12= 4.54D-14 4.19D-09. 3 vectors produced by pass423 Test12= 3.66D-13 1.01D-09 XBig12= 7.61D-14 5.93D-09. 3 vectors produced by pass424 Test12= 3.66D-13 1.01D-09 XBig12= 1.16D-13 7.68D-09. 3 vectors produced by pass425 Test12= 3.66D-13 1.01D-09 XBig12= 4.41D-14 4.68D-09. 3 vectors produced by pass426 Test12= 3.66D-13 1.01D-09 XBig12= 5.92D-14 5.28D-09. 3 vectors produced by pass427 Test12= 3.66D-13 1.01D-09 XBig12= 1.04D-13 7.90D-09. 3 vectors produced by pass428 Test12= 3.66D-13 1.01D-09 XBig12= 5.55D-14 5.84D-09. 3 vectors produced by pass429 Test12= 3.66D-13 1.01D-09 XBig12= 5.93D-14 7.08D-09. 3 vectors produced by pass430 Test12= 3.66D-13 1.01D-09 XBig12= 5.07D-14 5.53D-09. 3 vectors produced by pass431 Test12= 3.66D-13 1.01D-09 XBig12= 9.36D-14 9.15D-09. 3 vectors produced by pass432 Test12= 3.66D-13 1.01D-09 XBig12= 6.21D-14 6.06D-09. 3 vectors produced by pass433 Test12= 3.66D-13 1.01D-09 XBig12= 2.85D-14 4.00D-09. 3 vectors produced by pass434 Test12= 3.66D-13 1.01D-09 XBig12= 4.99D-14 4.57D-09. 3 vectors produced by pass435 Test12= 3.66D-13 1.01D-09 XBig12= 9.55D-14 7.83D-09. 3 vectors produced by pass436 Test12= 3.66D-13 1.01D-09 XBig12= 3.67D-14 4.49D-09. 3 vectors produced by pass437 Test12= 3.66D-13 1.01D-09 XBig12= 9.80D-14 7.10D-09. 3 vectors produced by pass438 Test12= 3.66D-13 1.01D-09 XBig12= 8.79D-14 6.57D-09. 3 vectors produced by pass439 Test12= 3.66D-13 1.01D-09 XBig12= 1.09D-13 6.51D-09. 3 vectors produced by pass440 Test12= 3.66D-13 1.01D-09 XBig12= 1.27D-13 8.59D-09. 3 vectors produced by pass441 Test12= 3.66D-13 1.01D-09 XBig12= 4.20D-14 4.95D-09. 3 vectors produced by pass442 Test12= 3.66D-13 1.01D-09 XBig12= 1.13D-13 7.84D-09. 3 vectors produced by pass443 Test12= 3.66D-13 1.01D-09 XBig12= 9.58D-14 6.87D-09. 3 vectors produced by pass444 Test12= 3.66D-13 1.01D-09 XBig12= 9.97D-14 7.99D-09. 3 vectors produced by pass445 Test12= 3.66D-13 1.01D-09 XBig12= 3.20D-14 3.87D-09. 3 vectors produced by pass446 Test12= 3.66D-13 1.01D-09 XBig12= 1.09D-13 8.45D-09. 3 vectors produced by pass447 Test12= 3.66D-13 1.01D-09 XBig12= 3.21D-14 4.46D-09. 3 vectors produced by pass448 Test12= 3.66D-13 1.01D-09 XBig12= 7.56D-14 6.96D-09. 3 vectors produced by pass449 Test12= 3.66D-13 1.01D-09 XBig12= 1.14D-13 7.44D-09. 3 vectors produced by pass450 Test12= 3.66D-13 1.01D-09 XBig12= 1.08D-13 7.81D-09. 3 vectors produced by pass451 Test12= 3.66D-13 1.01D-09 XBig12= 7.54D-14 5.74D-09. 3 vectors produced by pass452 Test12= 3.66D-13 1.01D-09 XBig12= 5.79D-14 6.69D-09. 3 vectors produced by pass453 Test12= 3.66D-13 1.01D-09 XBig12= 6.31D-14 5.78D-09. 3 vectors produced by pass454 Test12= 3.66D-13 1.01D-09 XBig12= 7.39D-14 6.74D-09. 3 vectors produced by pass455 Test12= 3.66D-13 1.01D-09 XBig12= 3.96D-14 4.67D-09. 3 vectors produced by pass456 Test12= 3.66D-13 1.01D-09 XBig12= 7.79D-14 6.42D-09. 3 vectors produced by pass457 Test12= 3.66D-13 1.01D-09 XBig12= 6.25D-14 5.62D-09. 3 vectors produced by pass458 Test12= 3.66D-13 1.01D-09 XBig12= 7.10D-14 6.26D-09. 3 vectors produced by pass459 Test12= 3.66D-13 1.01D-09 XBig12= 8.23D-14 6.09D-09. 3 vectors produced by pass460 Test12= 3.66D-13 1.01D-09 XBig12= 3.98D-14 5.51D-09. 3 vectors produced by pass461 Test12= 3.66D-13 1.01D-09 XBig12= 8.56D-14 7.93D-09. 3 vectors produced by pass462 Test12= 3.66D-13 1.01D-09 XBig12= 1.73D-13 1.15D-08. 3 vectors produced by pass463 Test12= 3.66D-13 1.01D-09 XBig12= 5.20D-14 5.18D-09. 3 vectors produced by pass464 Test12= 3.66D-13 1.01D-09 XBig12= 4.95D-14 4.47D-09. 3 vectors produced by pass465 Test12= 3.66D-13 1.01D-09 XBig12= 6.33D-14 5.35D-09. 3 vectors produced by pass466 Test12= 3.66D-13 1.01D-09 XBig12= 4.80D-14 4.95D-09. 3 vectors produced by pass467 Test12= 3.66D-13 1.01D-09 XBig12= 9.35D-14 6.12D-09. 3 vectors produced by pass468 Test12= 3.66D-13 1.01D-09 XBig12= 5.76D-14 4.96D-09. 3 vectors produced by pass469 Test12= 3.66D-13 1.01D-09 XBig12= 9.01D-14 7.52D-09. 3 vectors produced by pass470 Test12= 3.66D-13 1.01D-09 XBig12= 1.02D-13 7.28D-09. 3 vectors produced by pass471 Test12= 3.66D-13 1.01D-09 XBig12= 9.82D-14 7.83D-09. 3 vectors produced by pass472 Test12= 3.66D-13 1.01D-09 XBig12= 6.46D-14 5.37D-09. 3 vectors produced by pass473 Test12= 3.66D-13 1.01D-09 XBig12= 8.32D-14 6.46D-09. 3 vectors produced by pass474 Test12= 3.66D-13 1.01D-09 XBig12= 1.10D-13 7.33D-09. 3 vectors produced by pass475 Test12= 3.66D-13 1.01D-09 XBig12= 5.39D-14 5.80D-09. 3 vectors produced by pass476 Test12= 3.66D-13 1.01D-09 XBig12= 2.17D-14 3.75D-09. 3 vectors produced by pass477 Test12= 3.66D-13 1.01D-09 XBig12= 2.69D-14 4.22D-09. 3 vectors produced by pass478 Test12= 3.66D-13 1.01D-09 XBig12= 5.65D-14 6.15D-09. 3 vectors produced by pass479 Test12= 3.66D-13 1.01D-09 XBig12= 1.68D-14 2.62D-09. 3 vectors produced by pass480 Test12= 3.66D-13 1.01D-09 XBig12= 6.19D-14 6.55D-09. 3 vectors produced by pass481 Test12= 3.66D-13 1.01D-09 XBig12= 5.29D-14 5.37D-09. 3 vectors produced by pass482 Test12= 3.66D-13 1.01D-09 XBig12= 9.41D-14 6.85D-09. 3 vectors produced by pass483 Test12= 3.66D-13 1.01D-09 XBig12= 7.69D-14 5.64D-09. 3 vectors produced by pass484 Test12= 3.66D-13 1.01D-09 XBig12= 8.06D-14 5.80D-09. 3 vectors produced by pass485 Test12= 3.66D-13 1.01D-09 XBig12= 4.55D-14 4.78D-09. 3 vectors produced by pass486 Test12= 3.66D-13 1.01D-09 XBig12= 7.41D-14 5.94D-09. 3 vectors produced by pass487 Test12= 3.66D-13 1.01D-09 XBig12= 8.36D-14 5.91D-09. 3 vectors produced by pass488 Test12= 3.66D-13 1.01D-09 XBig12= 3.42D-14 4.74D-09. 3 vectors produced by pass489 Test12= 3.66D-13 1.01D-09 XBig12= 8.39D-14 5.83D-09. 3 vectors produced by pass490 Test12= 3.66D-13 1.01D-09 XBig12= 6.92D-14 5.29D-09. 3 vectors produced by pass491 Test12= 3.66D-13 1.01D-09 XBig12= 1.32D-13 7.56D-09. 3 vectors produced by pass492 Test12= 3.66D-13 1.01D-09 XBig12= 6.09D-14 6.49D-09. 3 vectors produced by pass493 Test12= 3.66D-13 1.01D-09 XBig12= 9.61D-14 6.74D-09. 3 vectors produced by pass494 Test12= 3.66D-13 1.01D-09 XBig12= 4.55D-14 4.86D-09. 3 vectors produced by pass495 Test12= 3.66D-13 1.01D-09 XBig12= 6.82D-14 6.38D-09. 3 vectors produced by pass496 Test12= 3.66D-13 1.01D-09 XBig12= 8.58D-14 7.42D-09. 3 vectors produced by pass497 Test12= 3.66D-13 1.01D-09 XBig12= 7.64D-14 6.41D-09. 3 vectors produced by pass498 Test12= 3.66D-13 1.01D-09 XBig12= 8.08D-14 5.74D-09. 3 vectors produced by pass499 Test12= 3.66D-13 1.01D-09 XBig12= 4.94D-14 4.22D-09. 3 vectors produced by pass500 Test12= 3.66D-13 1.01D-09 XBig12= 8.31D-14 6.58D-09. 3 vectors produced by pass501 Test12= 3.66D-13 1.01D-09 XBig12= 1.22D-13 7.17D-09. 3 vectors produced by pass502 Test12= 3.66D-13 1.01D-09 XBig12= 3.70D-14 4.54D-09. 3 vectors produced by pass503 Test12= 3.66D-13 1.01D-09 XBig12= 1.24D-13 7.62D-09. 3 vectors produced by pass504 Test12= 3.66D-13 1.01D-09 XBig12= 6.29D-14 6.39D-09. 3 vectors produced by pass505 Test12= 3.66D-13 1.01D-09 XBig12= 7.60D-14 5.77D-09. 3 vectors produced by pass506 Test12= 3.66D-13 1.01D-09 XBig12= 5.22D-14 5.09D-09. 3 vectors produced by pass507 Test12= 3.66D-13 1.01D-09 XBig12= 7.20D-14 7.32D-09. 3 vectors produced by pass508 Test12= 3.66D-13 1.01D-09 XBig12= 8.45D-14 6.49D-09. 3 vectors produced by pass509 Test12= 3.66D-13 1.01D-09 XBig12= 6.52D-14 5.32D-09. 3 vectors produced by pass510 Test12= 3.66D-13 1.01D-09 XBig12= 6.07D-14 6.55D-09. 3 vectors produced by pass511 Test12= 3.66D-13 1.01D-09 XBig12= 2.91D-14 3.62D-09. 3 vectors produced by pass512 Test12= 3.66D-13 1.01D-09 XBig12= 1.06D-13 9.38D-09. 3 vectors produced by pass513 Test12= 3.66D-13 1.01D-09 XBig12= 8.26D-14 8.03D-09. 3 vectors produced by pass514 Test12= 3.66D-13 1.01D-09 XBig12= 1.21D-13 7.98D-09. 3 vectors produced by pass515 Test12= 3.66D-13 1.01D-09 XBig12= 1.04D-13 7.15D-09. 3 vectors produced by pass516 Test12= 3.66D-13 1.01D-09 XBig12= 6.52D-14 4.91D-09. 3 vectors produced by pass517 Test12= 3.66D-13 1.01D-09 XBig12= 6.79D-14 6.28D-09. 3 vectors produced by pass518 Test12= 3.66D-13 1.01D-09 XBig12= 9.10D-14 6.92D-09. 3 vectors produced by pass519 Test12= 3.66D-13 1.01D-09 XBig12= 4.36D-14 4.61D-09. 3 vectors produced by pass520 Test12= 3.66D-13 1.01D-09 XBig12= 9.69D-14 7.35D-09. 3 vectors produced by pass521 Test12= 3.66D-13 1.01D-09 XBig12= 5.45D-14 5.15D-09. 3 vectors produced by pass522 Test12= 3.66D-13 1.01D-09 XBig12= 8.56D-14 6.37D-09. 3 vectors produced by pass523 Test12= 3.66D-13 1.01D-09 XBig12= 5.43D-14 6.02D-09. 3 vectors produced by pass524 Test12= 3.66D-13 1.01D-09 XBig12= 9.00D-14 6.25D-09. 3 vectors produced by pass525 Test12= 3.66D-13 1.01D-09 XBig12= 1.08D-13 7.13D-09. 3 vectors produced by pass526 Test12= 3.66D-13 1.01D-09 XBig12= 5.51D-14 5.60D-09. 3 vectors produced by pass527 Test12= 3.66D-13 1.01D-09 XBig12= 5.67D-14 5.07D-09. 3 vectors produced by pass528 Test12= 3.66D-13 1.01D-09 XBig12= 8.79D-14 5.69D-09. 3 vectors produced by pass529 Test12= 3.66D-13 1.01D-09 XBig12= 3.40D-14 3.88D-09. 3 vectors produced by pass530 Test12= 3.66D-13 1.01D-09 XBig12= 1.56D-13 9.10D-09. 3 vectors produced by pass531 Test12= 3.66D-13 1.01D-09 XBig12= 3.53D-14 3.85D-09. 3 vectors produced by pass532 Test12= 3.66D-13 1.01D-09 XBig12= 9.70D-14 9.11D-09. 3 vectors produced by pass533 Test12= 3.66D-13 1.01D-09 XBig12= 1.22D-13 8.33D-09. 3 vectors produced by pass534 Test12= 3.66D-13 1.01D-09 XBig12= 1.05D-13 8.54D-09. 2 vectors produced by pass535 Test12= 3.66D-13 1.01D-09 XBig12= 2.98D-14 3.65D-09. InvSVY: IOpt=1 It= 1 EMax= 5.00D-16 Solved reduced A of dimension 2910 with 99 vectors. End of Minotr F.D. properties file 721 does not exist. 0.000 0.000 0.000 0.000 0.000 0.000 890.480 5.979 827.843 14.963 1.454 830.232 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 B B B B B B B B B I I I I I I I I I C H C H H B I C I H H B I B 11 11 11 11 11 11 11 11 11 127 127 127 127 127 127 127 127 127 13 1 13 1 1 11 127 13 127 1 1 11 127 11 -0.00917 -0.00910 0.01407 -0.00916 -0.00914 0.01446 0.01487 0.01433 -0.00908 0.00005 0.00005 0.00001 0.00006 0.00005 0.00001 0.00001 0.00001 0.00004 0.00281 0.00415 0.02557 -0.00298 0.00367 0.01387 0.00001 -0.00637 0.00011 0.00000 0.00229 0.32643 0.00000 -0.00190 -13.15376 -13.05816 20.18360 -13.14107 -13.11170 20.74465 21.33129 20.54875 -13.02642 0.04089 0.04636 0.00971 0.05034 0.04096 0.01039 0.01095 0.01110 0.03557 3.16010 18.56189 28.74571 -13.33311 16.40541 19.89843 0.00963 -7.15877 0.10080 0.02208 10.23657 468.21548 0.00220 -2.72242 -4.69359 -4.65948 7.20201 -4.68906 -4.67858 7.40221 7.61153 7.33230 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0.7733 -0.0137 -0.0113 0.025 -2.342 -1.937 4.279 -0.836 -0.691 1.527 -0.781 -0.646 1.427 4 B 11 0.0275 0.9868 0.1593 -0.6479 -0.1038 0.7546 0.7612 -0.124 0.6366 -0.0138 -0.0118 0.0256 -2.355 -2.021 4.376 -0.84 -0.721 1.561 -0.785 -0.674 1.46 5 B 11 0.1955 0.9692 -0.1496 0.1936 0.1114 0.9747 0.9614 -0.2195 -0.1659 -0.0037 -0.0036 0.0073 -0.633 -0.61 1.242 -0.226 -0.218 0.443 -0.211 -0.203 0.414 6 B 11 0.0752 0.2298 0.9703 -0.165 0.9625 -0.2152 0.9834 0.144 -0.1103 -0.0038 -0.0036 0.0074 -0.646 -0.614 1.261 -0.231 -0.219 0.45 -0.216 -0.205 0.421 7 B 11 -0.4757 0.8007 -0.3642 0.2286 0.5123 0.8278 0.8494 0.3106 -0.4267 -0.0037 -0.0035 0.0073 -0.64 -0.605 1.245 -0.228 -0.216 0.444 -0.213 -0.202 0.415 8 B 11 -0.179 0.8801 -0.4398 0.9771 0.2114 0.0254 -0.1153 0.4251 0.8978 -0.0136 -0.0106 0.0242 -2.326 -1.814 4.139 -0.83 -0.647 1.477 -0.776 -0.605 1.381 9 B 11 -0.018 0.2346 0.9719 0.996 -0.0813 0.0381 0.0879 0.9687 -0.2322 -0.0071 -0.0065 0.0136 -0.767 -0.699 1.466 -0.274 -0.249 0.523 -0.256 -0.233 0.489 10 I 127 0.8761 0.1959 -0.4405 0.481 -0.4157 0.7719 0.0319 0.8881 0.4585 -0.0074 -0.0072 0.0146 -0.798 -0.77 1.568 -0.285 -0.275 0.559 -0.266 -0.257 0.523 11 I 127 0.715 -0.6469 0.2651 0.5727 0.7594 0.3087 -0.401 -0.0688 0.9135 -0.0024 -0.0023 0.0047 -0.257 -0.244 0.501 -0.092 -0.087 0.179 -0.086 -0.081 0.167 12 I 127 -0.2695 0.5474 0.7923 0.881 0.4724 -0.0268 -0.3889 0.6908 -0.6096 -0.0072 -0.0069 0.0141 -0.773 -0.741 1.513 -0.276 -0.264 0.54 -0.258 -0.247 0.505 13 I 127 0.7489 -0.6133 -0.251 0.6282 0.7776 -0.026 0.2111 -0.1382 0.9676 -0.0071 -0.0069 0.014 -0.759 -0.745 1.503 -0.271 -0.266 0.536 -0.253 -0.248 0.502 14 I 127 -0.3747 -0.3867 0.8427 0.3324 0.7924 0.5114 0.8655 -0.4717 0.1684 -0.0025 -0.0023 0.0048 -0.264 -0.251 0.516 -0.094 -0.09 0.184 -0.088 -0.084 0.172 15 I 127 -0.398 0.4099 0.8207 -0.146 0.8549 -0.4978 0.9057 0.318 0.2804 -0.0025 -0.0024 0.0049 -0.268 -0.255 0.524 -0.096 -0.091 0.187 -0.09 -0.085 0.175 16 I 127 -0.635 0.7368 0.2322 0.4486 0.1069 0.8873 0.629 0.6676 -0.3984 -0.0025 -0.0024 0.0049 -0.27 -0.255 0.525 -0.096 -0.091 0.187 -0.09 -0.085 0.175 17 I 127 -0.2531 0.8711 -0.4208 0.7874 -0.0672 -0.6127 0.562 0.4864 0.669 -0.0072 -0.0045 0.0117 -0.777 -0.485 1.262 -0.277 -0.173 0.45 -0.259 -0.162 0.421 18 I 127 0.7571 0.0379 -0.6522 -0.2302 0.9498 -0.2119 0.6114 0.3106 0.7278 -0.0862 0.036 0.0501 -11.562 4.834 6.728 -4.125 1.725 2.401 -3.857 1.612 2.244 19 C 13 -0.6254 0.7197 -0.3015 0.3517 0.6049 0.7144 0.6966 0.3407 -0.6314 -0.0098 -0.0016 0.0114 -5.239 -0.847 6.085 -1.869 -0.302 2.171 -1.747 -0.282 2.03 20 H 1 0.6488 0.0015 0.761 -0.0342 0.999 0.0271 0.7602 0.0436 -0.6482 -0.1084 -0.1061 0.2145 -14.547 -14.242 28.789 -5.191 -5.082 10.273 -4.852 -4.751 9.603 21 C 13 0.5228 -0.1781 0.8337 0.8071 -0.2114 -0.5513 0.2744 0.9611 0.0332 -0.0145 -7.0E-4 0.0152 -7.741 -0.369 8.11 -2.762 -0.132 2.894 -2.582 -0.123 2.705 22 H 1 0.2028 0.9706 -0.1293 0.4805 0.0164 0.8769 0.8532 -0.24 -0.463 -0.0097 -0.0013 0.011 -5.177 -0.698 5.875 -1.847 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-1.155 6.552 -1.926 -0.412 2.338 -1.8 -0.385 2.185 20 H 1 0.6636 0.1001 0.7414 -0.0725 0.9949 -0.0695 0.7446 0.0076 -0.6675 -0.1042 -0.102 0.2062 -13.977 -13.69 27.668 -4.987 -4.885 9.872 -4.662 -4.567 9.229 21 C 13 0.5285 -0.1218 0.8401 0.8071 -0.2348 -0.5418 0.2632 0.9644 -0.0258 -0.0139 -6.0E-4 0.0145 -7.421 -0.32 7.742 -2.648 -0.114 2.762 -2.475 -0.107 2.582 22 H 1 0.2103 0.9651 -0.1558 0.4496 0.046 0.892 0.8681 -0.2577 -0.4243 -0.0099 -0.0017 0.0116 -5.304 -0.891 6.195 -1.893 -0.318 2.211 -1.769 -0.297 2.066 23 H 1 0.3642 0.9294 0.0603 0.4289 -0.2249 0.8749 0.8267 -0.2928 -0.4805 -0.0038 -0.0036 0.0074 -0.65 -0.615 1.266 -0.232 -0.22 0.452 -0.217 -0.205 0.422 24 B 11 0.3788 0.7438 -0.5507 0.7695 0.0774 0.6339 -0.5142 0.6639 0.543 -0.0022 -0.0021 0.0044 -0.241 -0.231 0.472 -0.086 -0.082 0.168 -0.08 -0.077 0.157 25 I 127 0.7705 0.1064 -0.6285 0.1388 0.9343 0.3283 0.6221 -0.3402 0.7051 -0.0129 0.0019 0.011 -1.729 0.254 1.475 -0.617 0.091 0.526 -0.577 0.085 0.492 26 C 13 -0.0223 -0.3003 0.9536 0.0962 0.9488 0.301 0.9951 -0.0985 -0.0077 -0.0083 -0.0077 0.0159 -0.887 -0.824 1.711 -0.317 -0.294 0.61 -0.296 -0.275 0.571 27 I 127 0.1122 0.5522 0.8261 0.608 0.6195 -0.4966 0.786 -0.558 0.2662 -0.0038 -0.0012 0.005 -2.036 -0.647 2.683 -0.727 -0.231 0.957 -0.679 -0.216 0.895 28 H 1 0.0308 0.938 0.3451 0.693 0.2288 -0.6837 0.7203 -0.2603 0.643 -0.0034 -8.0E-4 0.0042 -1.8 -0.428 2.228 -0.642 -0.153 0.795 -0.601 -0.143 0.743 29 H 1 -0.1994 0.854 -0.4805 0.3278 0.5202 0.7886 0.9235 -3.0E-4 -0.3837 -0.1658 -0.1655 0.3313 -28.381 -28.335 56.715 -10.127 -10.111 20.237 -9.467 -9.451 18.918 30 B 11 -0.1994 0.8458 -0.4948 0.3306 0.5334 0.7786 0.9225 -0.0084 -0.3859 -3.0E-4 -3.0E-4 7.0E-4 -0.036 -0.036 0.072 -0.013 -0.013 0.026 -0.012 -0.012 0.024 31 I 127 -0.3291 0.0199 -0.2653 0.4231 -525.9280 -478.2163 -477.8590 -0.0399 1.4716 -0.0078 -31.9269 15.7848 16.1421 -0.0399 1.4716 -0.0078 376.7999 3.2072 -40.5913 -7.7621 -0.5212 -39.2941 -4.9138 1.2197 -13.0663 -0.5188 -23980.8308 -11299.7724 -11163.1678 11.5602 276.9170 -13.6634 6.1048 87.3732 6.5465 -5382.6305 -5394.4618 -3743.3012 5.3693 21.9337 -5.9260 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(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 2-A -3987.8821241 0.763362 0. 0.750097 4.854E-9 4.856E-6 -22.907932,11.7351332,11.1727988,-0.1718416,5.4868117,0.0391454 C01 [X(C3H5B12I12)] 0.1413965 0.0104902 0.0872414 0.000002279 -0.000000279 -0.000003241 -0.000002536 0.000000242 0.000003671 0.000000095 -0.000007069 0.000000026 -0.000000970 -0.000003069 0.000003070 -0.000000125 0.000001257 0.000001020 0.000001380 -0.000003054 -0.000001614 -0.000001344 -0.000002378 0.000003376 -0.000002501 -0.000005384 0.000005142 0.000002085 -0.000003520 -0.000002393 0.000004544 0.000002593 -0.000008757 -0.000005721 0.000003965 0.000008987 0.000001961 -0.000012292 0.000002624 -0.000003216 -0.000001421 0.000005110 -0.000001585 0.000007025 -0.000001233 0.000003073 -0.000004044 -0.000003894 -0.000003395 -0.000003453 0.000005957 -0.000004128 -0.000007693 0.000009776 0.000003067 -0.000001372 -0.000004876 -0.000001125 0.000007814 -0.000000927 0.000000187 0.000008712 -0.000002654 0.000000911 0.000008771 -0.000003149 0.000002563 0.000007888 -0.000006227 -0.000002857 0.000008915 0.000000661 0.000002995 -0.000006154 -0.000002460 0.000006150 -0.000009779 -0.000007459 -0.000000881 0.000007155 -0.000001048 -0.000000468 0.000012624 -0.000002678 -0.000002227 0.000007772 0.000001529 0.000000587 0.000004728 -0.000002277 -0.000000153 0.000002497 -0.000000278 0.000000637 -0.000013797 0.000002084 0.000000719 -0.000007199 0.000002132 1688.6177399999995 AuxInfo=1/0/N:19,21,26,27;30,1,5,9,2,4,6,24,7,3,8,32,10,14,18,11,13,15,25,16,12,17,31/E:;(2,3,4,5,6)(7,8,9,10,11)(13,14,15,16,17)(18,19,20,21,22)/CRV:1.3,2.3;1.5,2.6,3.6,4.6,5.6,6.6,7.6,8.6,9.6,10.6,11.6,12.6/rA:32nB6B6B6B6B6B6B6B6B6IIIIIIIIIC3HC3HHB6ICIHHB5IB6/rB:;;s2s3;s1s2;s1s5;s2s5s6;s2s3s4s7;s1s3s4;s1;s2;s3;s4;s5;s6;s7;s8;s9;;s19;s19;s21;s19;s1s3s6s9;s24;s21;s26;s26;s26;s1s2s4s5s9;;s3s6s7s8s24s31;/rC:-.2089,-1.4802,-.4941;-.3586,1.3696,-.7909;-.6302,.1833,1.8215;.4957,1.0177,.7222;-.7959,-.1758,-1.5432;-1.9318,-1.024,-.4655;-2.0248,.7544,-.6501;-1.2192,1.5001,.7631;.5869,-.742,.9064;.505,-3.3648,-1.326;.1523,3.1117,-1.9977;-.5174,.4156,3.9712;2.0982,2.3093,1.4433;-.856,-.4022,-3.711;-3.4762,-2.3344,-1.2305;-3.688,1.7134,-1.6511;-1.8542,3.4091,1.5636;2.2808,-1.7008,1.894;2.8275,-.1489,-2.1178;2.1909,-.7979,-2.706;3.7925,-.6467,-1.3351;3.8944,-1.7187,-1.2129;2.7122,.9202,-2.2643;-1.0705,-1.3765,1.0619;-1.5195,-3.1346,2.2433;4.6744,.2092,-.5308;6.7714,.0796,-1.2308;4.4398,1.2646,-.6051;4.7636,-.0986,.5054;.6865,-.0064,-.6606;-4.0702,.0259,2.03;-2.1857,.0132,.9645; Gaussian 16 GINC-PAULA09 MR11XIBY Title AS64L-G16RevC.02 90 C1[X(C3H5B12I12)] UM062X def2TZVPP Freq #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk UM062X/def2TZVPP Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1688.6177399999995 AuxInfo=1/0/N:19,21,26,27;30,1,5,9,2,4,6,24,7,3,8,32,10,14,18,11,13,15,25,16,12,17,31/E:;(2,3,4,5,6)(7,8,9,10,11)(13,14,15,16,17)(18,19,20,21,22)/CRV:1.3,2.3;1.5,2.6,3.6,4.6,5.6,6.6,7.6,8.6,9.6,10.6,11.6,12.6/rA:32nB6B6B6B6B6B6B6B6B6IIIIIIIIIC3HC3HHB6ICIHHB5IB6/rB:;;s2s3;s1s2;s1s5;s2s5s6;s2s3s4s7;s1s3s4;s1;s2;s3;s4;s5;s6;s7;s8;s9;;s19;s19;s21;s19;s1s3s6s9;s24;s21;s26;s26;s26;s1s2s4s5s9;;s3s6s7s8s24s31;/rC:-.2089,-1.4802,-.4941;-.3586,1.3696,-.7909;-.6302,.1833,1.8215;.4957,1.0177,.7222;-.7959,-.1758,-1.5432;-1.9318,-1.024,-.4655;-2.0248,.7544,-.6501;-1.2192,1.5001,.7631;.5869,-.742,.9064;.505,-3.3648,-1.326;.1523,3.1117,-1.9977;-.5174,.4156,3.9712;2.0982,2.3093,1.4433;-.856,-.4022,-3.711;-3.4762,-2.3344,-1.2305;-3.688,1.7134,-1.6511;-1.8542,3.4091,1.5636;2.2808,-1.7008,1.894;2.8275,-.1489,-2.1178;2.1909,-.7979,-2.706;3.7925,-.6467,-1.3351;3.8944,-1.7187,-1.2129;2.7122,.9202,-2.2643;-1.0705,-1.3765,1.0619;-1.5195,-3.1346,2.2433;4.6744,.2092,-.5308;6.7714,.0796,-1.2308;4.4398,1.2646,-.6051;4.7636,-.0986,.5054;.6865,-.0064,-.6606;-4.0702,.0259,2.03;-2.1857,.0132,.9645; Title Redundant internal coordinates found in file. (old form). Charge = -2 Multiplicity = 2 Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 5 5 5 5 6 6 6 6 7 7 7 8 8 9 9 9 19 19 19 19 20 21 21 24 24 26 26 26 31 5 6 9 10 24 30 4 5 7 8 11 30 4 8 9 12 24 32 8 9 13 30 6 7 14 30 7 15 24 32 8 16 32 17 32 18 24 30 20 21 23 30 30 22 26 25 32 27 28 29 32 1.7738 1.7825 1.7719 2.1803 1.7816 1.7325 1.7729 1.7735 1.7817 1.7812 2.18 1.7328 1.7812 1.7891 1.7819 2.1651 1.79 1.784 1.782 1.7716 2.1808 1.7313 1.7807 1.7814 2.1804 1.7335 1.7903 2.1651 1.7886 1.7847 1.7895 2.1652 1.7838 2.1652 1.7848 2.1827 1.7815 1.7339 1.0828 1.3386 1.0853 2.5937 2.6596 1.0837 1.4687 2.1653 1.7844 2.2146 1.0837 1.0847 2.1649 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 5 5 5 6 6 6 9 10 10 24 4 4 4 5 5 7 7 8 8 11 4 4 4 8 8 8 9 9 12 12 2 2 2 3 3 8 8 8 9 13 1 1 1 2 2 6 6 7 7 14 1 1 1 5 5 5 7 7 15 15 2 2 2 5 5 5 6 6 8 16 2 2 2 3 3 4 4 4 7 17 1 1 1 3 3 4 4 18 18 24 20 20 21 21 23 19 19 22 1 1 1 3 3 6 6 9 9 25 21 21 21 27 27 28 1 1 1 1 2 2 2 4 4 4 5 5 5 9 9 3 3 3 6 6 7 7 8 8 24 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 19 19 19 19 19 21 21 21 24 24 24 24 24 24 24 24 24 24 26 26 26 26 26 26 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 32 32 32 32 32 32 32 32 32 32 9 10 24 9 10 30 10 24 30 30 5 7 11 8 11 11 30 11 30 30 12 24 32 9 12 24 12 32 24 32 3 9 13 13 30 9 13 30 13 30 2 7 14 6 14 14 30 14 30 30 7 15 32 15 24 32 15 24 24 32 6 16 32 8 16 32 8 16 16 32 3 17 32 7 17 7 17 32 17 32 3 4 18 18 30 18 24 24 30 30 21 23 23 30 30 22 26 26 3 25 32 6 25 9 25 25 32 32 27 28 29 28 29 29 2 4 19 20 9 19 20 5 19 20 9 19 20 19 20 6 7 31 8 31 24 31 24 31 31 108.0411 121.2227 108.2808 108.348 122.9455 106.4637 120.9729 122.8113 121.9672 106.5199 107.9302 108.3399 121.207 108.3503 121.2862 122.6063 106.4949 122.5236 106.5004 122.3321 121.98 107.5611 107.4167 107.6498 121.7054 108.018 122.0084 107.4153 121.8493 122.182 108.3672 108.1003 121.2475 122.5361 106.5927 108.4242 122.6284 106.5333 121.0685 122.2393 107.9589 108.4077 121.3834 108.3977 121.2638 122.3179 106.4965 122.2527 106.479 122.6762 107.6236 121.9301 107.4023 121.9711 107.6657 107.388 121.8541 107.9859 121.7322 122.2352 107.6109 121.9311 107.4187 107.6366 121.9675 107.3998 108.01 121.8356 121.7599 122.2221 107.6467 121.9282 107.3984 107.9784 121.7841 107.5948 121.9662 107.3476 121.827 122.2755 108.391 107.9692 121.5454 121.7248 106.4464 121.5537 108.3579 121.7409 123.4124 106.4648 121.2375 117.0476 121.4564 106.6816 86.2206 120.1066 122.4353 117.2731 107.6046 121.9742 107.4522 108.0077 121.8034 107.6555 121.7421 121.9879 107.414 122.1747 111.1828 113.583 114.0249 103.9026 101.9722 111.0837 111.7751 111.6836 115.7147 96.4933 111.7244 119.9503 121.3099 111.7273 124.9035 148.5024 111.6846 114.4864 93.6161 122.1313 126.9631 108.441 108.4544 121.4628 108.4639 121.4379 108.4567 121.4362 108.454 121.4689 121.446 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 9 9 9 10 10 10 24 24 24 9 9 9 10 10 10 30 30 30 5 5 5 6 6 6 10 10 10 5 5 5 10 10 10 30 30 30 6 6 6 6 10 10 10 10 24 24 24 24 5 5 5 7 7 7 11 11 11 4 4 4 8 8 8 11 11 11 4 4 4 11 11 11 30 30 30 5 5 5 11 11 11 30 30 30 7 7 7 7 8 8 8 8 11 11 11 11 12 12 12 24 24 24 32 32 32 9 9 9 12 12 12 24 24 24 8 8 8 12 12 12 32 32 32 4 4 4 8 8 8 12 12 12 4 4 4 9 9 9 12 12 12 9 9 9 13 13 13 30 30 30 2 2 2 8 8 8 13 13 13 3 3 3 3 8 8 8 8 13 13 13 13 2 2 2 14 14 14 30 30 30 1 1 1 14 14 14 30 30 30 6 6 6 6 7 7 7 7 14 14 14 14 1 1 1 15 15 15 24 24 24 5 5 5 7 7 7 15 15 15 1 1 1 5 5 5 15 15 15 5 5 5 6 6 6 16 16 16 2 2 2 5 5 5 16 16 16 2 2 2 4 4 4 17 17 17 4 4 4 18 18 18 30 30 30 3 3 3 3 18 18 18 18 24 24 24 24 20 20 23 23 30 30 21 21 21 21 21 23 23 23 23 23 19 19 19 22 22 22 1 1 1 9 9 9 25 25 25 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 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 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 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 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 21 21 21 21 21 21 24 24 24 24 24 24 24 24 24 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 24 24 24 24 24 24 24 24 24 30 30 30 30 30 30 30 30 30 30 30 30 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 30 30 30 30 30 30 30 30 30 30 30 30 4 4 4 4 4 4 4 4 4 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 24 24 24 24 24 24 24 24 24 32 32 32 32 32 32 32 32 32 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 30 30 30 30 30 30 30 30 30 30 30 30 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 30 30 30 30 30 30 30 30 30 30 30 30 7 7 7 7 7 7 7 7 7 24 24 24 24 24 24 24 24 24 32 32 32 32 32 32 32 32 32 8 8 8 8 8 8 8 8 8 32 32 32 32 32 32 32 32 32 32 32 32 32 32 32 32 32 32 24 24 24 24 24 24 24 24 24 30 30 30 30 30 30 30 30 30 30 30 30 21 21 21 21 21 21 30 30 30 30 30 30 30 30 30 30 26 26 26 26 26 26 32 32 32 32 32 32 32 32 32 2 7 14 2 7 14 2 7 14 7 15 32 7 15 32 7 15 32 3 4 18 3 4 18 3 4 18 3 25 32 3 25 32 3 25 32 2 4 19 20 2 4 19 20 2 4 19 20 3 9 13 3 9 13 3 9 13 1 6 14 1 6 14 1 6 14 6 16 32 6 16 32 6 16 32 3 17 32 3 17 32 3 17 32 1 9 19 20 1 9 19 20 1 9 19 20 2 13 30 2 13 30 2 13 30 2 7 17 2 7 17 2 7 17 1 18 30 1 18 30 1 18 30 1 6 25 1 6 25 1 6 25 6 7 31 6 7 31 6 7 31 7 17 32 7 17 32 7 17 32 1 18 24 1 18 24 1 18 24 1 5 19 20 1 5 19 20 1 5 19 20 15 24 32 15 24 32 15 24 32 8 16 32 8 16 32 8 16 32 4 9 19 20 4 9 19 20 4 9 19 20 2 8 16 2 8 16 2 8 16 3 9 25 3 9 25 3 9 25 3 8 31 3 8 31 3 8 31 3 4 17 3 4 17 3 4 17 3 24 31 3 24 31 3 24 31 6 24 31 6 24 31 6 24 31 6 25 32 6 25 32 6 25 32 2 5 19 20 2 5 19 20 2 5 19 20 22 26 22 26 22 26 1 2 4 5 9 1 2 4 5 9 27 28 29 27 28 29 7 8 31 7 8 31 7 8 31 0.1226 -63.5542 146.9233 -146.0122 150.3111 0.7885 63.8096 0.1328 -149.3897 63.4494 -148.2915 0.3532 -147.1189 1.1402 149.7848 1.0252 149.2843 -62.0711 63.5524 -0.1295 -147.7612 -0.0637 -63.7456 148.6228 -150.212 146.1061 -1.5255 -63.5392 148.2641 -0.4164 146.8586 -1.3381 -150.0186 -1.1663 -149.363 61.9565 -1.7809 65.0817 -143.8804 -129.2746 146.747 -146.3905 4.6474 19.2532 -64.896 1.9665 153.0044 167.6102 -63.7598 -0.0114 146.4358 -0.1224 63.6261 -149.9268 149.7094 -146.5421 -0.095 -0.0687 63.6461 -146.917 -63.7551 -0.0404 149.3966 146.4303 -149.8549 -0.418 -63.3825 148.4151 -0.233 147.2974 -0.905 -149.5531 -1.0842 -149.2866 62.0653 63.4223 -148.4222 0.2935 -147.2154 0.9402 149.6559 1.0435 149.199 -62.0853 1.8043 -64.9782 142.1053 114.4797 64.9816 -1.801 -154.7175 177.6569 -146.6844 146.533 -6.3835 -34.0091 -148.2142 1.1191 149.3696 63.5619 -147.1047 1.1458 0.4295 149.7628 -61.9867 0.0278 63.2429 -148.1833 148.2776 -148.5073 0.0665 -63.1642 0.0509 148.6247 -63.4307 147.9502 -1.0872 148.4363 -0.1828 -149.2202 -0.2511 -148.8702 62.0924 0.0135 -63.2392 148.2761 63.2357 -0.017 -148.5018 -148.2607 148.4866 0.0018 63.2835 -0.575 -148.6553 0.4711 -63.3875 148.5322 -148.15 147.9914 -0.0889 -63.4534 148.3327 -0.3577 147.3258 -0.8881 -149.5785 -0.9714 -149.1854 62.1242 0.0871 147.7155 -63.6087 63.7768 -148.5948 0.081 -146.4317 1.1967 149.8725 -1.9594 64.8865 -149.8209 -153.8253 -65.1431 1.7027 146.9954 142.991 146.4074 -146.7468 -1.4541 -5.4585 148.458 -63.3888 -0.2287 -0.5901 147.5631 -149.2768 -149.1982 -1.045 62.1151 63.3747 -148.4719 0.2031 -147.4222 0.7312 149.4062 1.0517 149.2052 -62.1199 -64.9572 1.815 145.9141 134.1539 -1.7338 65.0384 -150.8625 -162.6227 146.5743 -146.6534 -2.5543 -14.3145 0.0368 -63.1468 148.2759 -148.2516 148.5649 -0.0125 63.2383 0.0547 -148.5226 63.1751 -0.0394 -148.3169 -0.0233 -63.2378 148.4847 -148.5796 148.2059 -0.0716 -0.5098 63.2981 -148.5804 -63.3962 0.4116 148.5331 148.0181 -148.1741 -0.0526 -63.2258 -0.051 148.2167 -0.0652 63.1096 -148.6228 148.5408 -148.2844 -0.0168 0.5005 -63.3481 148.5909 63.3861 -0.4624 -148.5234 -148.0363 148.1152 0.0542 -0.4362 63.3449 -148.546 -63.2813 0.4998 148.6089 148.1467 -148.0722 0.0369 63.4079 -148.4093 0.2279 -147.9867 0.1962 148.8334 1.1079 149.2907 -62.0721 1.8174 -65.0097 154.0527 -177.6029 -146.5648 146.6081 5.6705 34.0149 64.9883 -1.8389 -142.7765 -114.4321 -5.3404 179.7383 -179.3264 5.7523 84.7815 -90.1398 -81.7093 139.4672 65.0155 -150.52 -10.569 156.5438 17.7202 -56.7314 87.7331 -132.316 -114.4607 2.3046 130.9375 70.482 -172.7527 -44.1198 0.5437 -63.2812 148.601 63.3741 -0.4509 -148.5687 -148.0602 148.1149 -0.003 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 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 Berny optimization. saddle point Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. -0.00769 0.00074 0.00253 0.00392 0.00559 0.01228 0.01242 0.01279 0.01332 0.01381 0.01387 0.01467 0.01497 0.01504 0.01547 0.01562 0.01641 0.01754 0.01819 0.01991 0.02074 0.02136 0.02168 0.02180 0.02200 0.02214 0.02223 0.02309 0.02341 0.02376 0.02404 0.02474 0.02500 0.02514 0.02569 0.02643 0.02669 0.02718 0.02753 0.02844 0.03000 0.03469 0.03496 0.03621 0.03658 0.03664 0.03741 0.03747 0.03797 0.04797 0.06092 0.06456 0.06536 0.06692 0.06765 0.06975 0.07017 0.07089 0.07125 0.08538 0.08810 0.08952 0.09019 0.09047 0.09237 0.09812 0.11302 0.13180 0.13388 0.13501 0.13546 0.13613 0.13627 0.14011 0.14167 0.14258 0.14345 0.14380 0.14418 0.14459 0.14656 0.16522 0.18221 0.28253 0.34205 0.35659 0.35849 0.36071 0.36323 0.59262 R42 R43 D278 D277 D279 1 -0.78513 -0.45749 -0.21131 -0.17691 0.11742 D280 D295 R48 A94 D268 Angle between quadratic step and forces= 74.05 degrees. 1 2 0.00004616 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 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 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 3.35194 3.36844 3.34847 4.12010 3.36682 3.27393 3.35026 3.35145 3.36690 3.36593 4.11961 3.27455 3.36592 3.38100 3.36730 4.09141 3.38252 3.37131 3.36741 3.34785 4.12120 3.27162 3.36511 3.36627 4.12042 3.27589 3.38324 4.09149 3.37992 3.37265 3.38158 4.09163 3.37097 4.09170 3.37281 4.12468 3.36655 3.27660 2.04626 2.52950 2.05086 4.90132 5.02584 2.04792 2.77549 4.09178 3.37211 4.18504 2.04784 2.04974 4.09113 1.88567 2.11573 1.88986 1.89103 2.14580 1.85814 2.11138 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0.00007 0.00006 0.00002 0.00002 0.00008 0.00008 -0.00000 -0.00000 0.00007 0.00006 0.00001 0.00002 0.00002 0.00004 0.00005 0.00007 -0.00014 -0.00012 -0.00016 -0.00012 -0.00018 -0.00014 -0.00012 -0.00016 -0.00012 -0.00018 -0.00005 -0.00004 -0.00004 -0.00003 -0.00002 -0.00003 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00000 3.35193 3.36844 3.34846 4.12010 3.36682 3.27393 3.35026 3.35145 3.36690 3.36593 4.11961 3.27455 3.36592 3.38100 3.36730 4.09141 3.38251 3.37131 3.36742 3.34785 4.12120 3.27162 3.36511 3.36628 4.12043 3.27588 3.38324 4.09149 3.37992 3.37265 3.38157 4.09163 3.37097 4.09171 3.37281 4.12467 3.36655 3.27660 2.04626 2.52950 2.05086 4.90130 5.02589 2.04792 2.77549 4.09178 3.37212 4.18504 2.04784 2.04974 4.09113 1.88567 2.11574 1.88986 1.89103 2.14580 1.85814 2.11138 2.14345 2.12874 1.85913 1.88374 1.89089 2.11545 1.89107 2.11685 2.13989 1.85869 2.13844 1.85879 2.13509 2.12895 1.87729 1.87478 1.87884 2.12416 1.88527 2.12944 1.87475 2.12667 2.13248 1.89136 1.88671 2.11616 2.13866 1.86040 1.89236 2.14026 1.85936 2.11305 2.13348 1.88424 1.89207 2.11854 1.89190 2.11645 2.13485 1.85872 2.13371 1.85841 2.14110 1.87839 2.12808 1.87452 2.12880 1.87912 1.87428 2.12676 1.88471 2.12462 2.13340 1.87816 2.12810 1.87481 1.87861 2.12873 1.87448 1.88513 2.12643 2.12512 2.13318 1.87879 2.12804 1.87446 1.88458 2.12554 1.87788 2.12871 1.87357 2.12628 2.13412 1.89178 1.88442 2.12138 2.12449 1.85784 2.12150 1.89120 2.12479 2.15395 1.85816 2.11599 2.04286 2.11982 1.86194 1.50481 2.09625 2.13691 2.04680 1.87806 2.12885 1.87540 1.88509 2.12587 1.87894 2.12480 2.12909 1.87473 2.13235 1.94051 1.98240 1.99011 1.81345 1.77975 1.93877 1.95084 1.94924 2.01955 1.68404 1.94996 2.09357 2.11734 1.95001 2.18003 2.59191 1.94926 1.99814 1.63391 2.13158 2.21584 1.89265 1.89288 2.11993 1.89305 2.11948 1.89292 2.11946 1.89288 2.12004 2.11963 0.00214 -1.10923 2.56430 -2.54841 2.62341 0.01375 1.11369 0.00232 -2.60734 1.10740 -2.58817 0.00616 -2.56772 0.01990 2.61423 0.01789 2.60550 -1.08335 1.10920 -0.00226 -2.57892 -0.00111 -1.11257 2.59396 -2.62168 2.55005 -0.02661 -1.10897 2.58770 -0.00727 2.56318 -0.02335 -2.61831 -0.02035 -2.60688 1.08134 -0.03108 1.13589 -2.51118 -2.25631 2.56122 -2.55500 0.08112 0.33599 -1.13265 0.03432 2.67043 2.92530 -1.11282 -0.00020 2.55579 -0.00214 1.11049 -2.61671 2.61292 -2.55764 -0.00165 -0.00120 1.11083 -2.56419 -1.11274 -0.00070 2.60746 2.55569 -2.61547 -0.00731 -1.10623 2.59034 -0.00407 2.57083 -0.01578 -2.61019 -0.01892 -2.60553 1.08325 1.10693 -2.59046 0.00512 -2.56938 0.01641 2.61200 0.01821 2.60401 -1.08359 0.03149 -1.13408 2.48016 1.99799 1.13414 -0.03143 -2.70038 3.10064 -2.56014 2.55748 -0.11147 -0.59364 -2.58683 0.01952 2.60699 1.10937 -2.56747 0.02000 0.00750 2.61384 -1.08187 0.00048 1.10380 -2.58628 2.58792 -2.59195 0.00116 -1.10242 0.00089 2.59400 -1.10708 2.58221 -0.01897 2.59071 -0.00320 -2.60438 -0.00438 -2.59829 1.08372 0.00023 -1.10373 2.58790 1.10367 -0.00030 -2.59185 -2.58763 2.59159 0.00004 1.10450 -0.01004 -2.59453 0.00822 -1.10632 2.59237 -2.58571 2.58294 -0.00156 -1.10747 2.58890 -0.00624 2.57132 -0.01549 -2.61064 -0.01695 -2.60377 1.08428 0.00152 2.57813 -1.11018 1.11311 -2.59346 0.00141 -2.55572 0.02089 2.61576 -0.03420 1.13248 -2.61483 -2.68461 -1.13696 0.02971 2.56559 2.49581 2.55530 -2.56121 -0.02534 -0.09511 2.59108 -1.10634 -0.00399 -0.01029 2.57547 -2.60537 -2.60400 -0.01824 1.08411 1.10610 -2.59132 0.00354 -2.57300 0.01277 2.60763 0.01835 2.60412 -1.08420 -1.13371 0.03168 2.54662 2.34133 -0.03026 1.13514 -2.63310 -2.83840 2.55820 -2.55959 -0.04464 -0.24994 0.00064 -1.10212 2.58789 -2.58748 2.59294 -0.00023 1.10372 0.00095 -2.59222 1.10262 -0.00069 -2.58861 -0.00040 -1.10371 2.59155 -2.59320 2.58668 -0.00125 -0.00890 1.10476 -2.59321 -1.10647 0.00719 2.59240 2.58340 -2.58613 -0.00092 -1.10350 -0.00089 2.58686 -0.00114 1.10147 -2.59397 2.59253 -2.58805 -0.00030 0.00873 -1.10563 2.59341 1.10630 -0.00807 -2.59221 -2.58373 2.58509 0.00095 -0.00762 1.10557 -2.59261 -1.10447 0.00872 2.59372 2.58565 -2.58435 0.00065 1.10668 -2.59023 0.00398 -2.58287 0.00340 2.59761 0.01934 2.60561 -1.08336 0.03172 -1.13463 2.68879 -3.09969 -2.55802 2.55881 0.09905 0.59375 1.13426 -0.03210 -2.49185 -1.99715 -0.09320 3.13705 -3.12982 0.10043 1.47977 -1.57317 -1.42624 2.43404 1.13457 -2.62718 -0.18464 2.73206 0.30916 -0.99031 1.53111 -2.30953 -1.99776 0.04018 2.28525 1.23011 -3.01513 -0.77006 0.00949 -1.10446 2.59357 1.10608 -0.00787 -2.59302 -2.58413 2.58510 -0.00006 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000001 0.000000 0.000448 0.000046 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.576927e-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 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 5 5 5 5 6 6 6 6 7 7 7 8 8 9 9 9 19 19 19 19 20 21 21 24 24 26 26 26 31 5 6 9 10 24 30 4 5 7 8 11 30 4 8 9 12 24 32 8 9 13 30 6 7 14 30 7 15 24 32 8 16 32 17 32 18 24 30 20 21 23 30 30 22 26 25 32 27 28 29 32 1.7738 1.7825 1.7719 2.1803 1.7816 1.7325 1.7729 1.7735 1.7817 1.7812 2.18 1.7328 1.7812 1.7891 1.7819 2.1651 1.79 1.784 1.782 1.7716 2.1808 1.7313 1.7807 1.7814 2.1804 1.7335 1.7903 2.1651 1.7886 1.7847 1.7895 2.1652 1.7838 2.1652 1.7848 2.1827 1.7815 1.7339 1.0828 1.3386 1.0853 2.5937 2.6596 1.0837 1.4687 2.1653 1.7844 2.2146 1.0837 1.0847 2.1649 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 5 5 5 6 6 6 9 10 10 24 4 4 4 5 5 7 7 8 8 11 4 4 4 8 8 8 9 9 12 12 2 2 2 3 3 8 8 8 9 13 1 1 1 2 2 6 6 7 7 14 1 1 1 5 5 5 7 7 15 15 2 2 2 5 5 5 6 6 8 16 2 2 2 3 3 4 4 4 7 17 1 1 1 3 3 4 4 18 18 24 20 20 21 21 23 19 19 22 1 1 1 3 3 6 6 9 9 25 21 21 21 27 27 28 1 1 1 1 2 2 2 4 4 4 5 5 5 9 9 3 3 3 6 6 7 7 8 8 24 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 19 19 19 19 19 21 21 21 24 24 24 24 24 24 24 24 24 24 26 26 26 26 26 26 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 32 32 32 32 32 32 32 32 32 32 9 10 24 9 10 30 10 24 30 30 5 7 11 8 11 11 30 11 30 30 12 24 32 9 12 24 12 32 24 32 3 9 13 13 30 9 13 30 13 30 2 7 14 6 14 14 30 14 30 30 7 15 32 15 24 32 15 24 24 32 6 16 32 8 16 32 8 16 16 32 3 17 32 7 17 7 17 32 17 32 3 4 18 18 30 18 24 24 30 30 21 23 23 30 30 22 26 26 3 25 32 6 25 9 25 25 32 32 27 28 29 28 29 29 2 4 19 20 9 19 20 5 19 20 9 19 20 19 20 6 7 31 8 31 24 31 24 31 31 108.0411 121.2227 108.2808 108.348 122.9455 106.4637 120.9729 122.8113 121.9672 106.5199 107.9302 108.3399 121.207 108.3503 121.2862 122.6063 106.4949 122.5236 106.5004 122.3321 121.98 107.5611 107.4167 107.6498 121.7054 108.018 122.0084 107.4153 121.8493 122.182 108.3672 108.1003 121.2475 122.5361 106.5927 108.4242 122.6284 106.5333 121.0685 122.2393 107.9589 108.4077 121.3834 108.3977 121.2638 122.3179 106.4965 122.2527 106.479 122.6762 107.6236 121.9301 107.4023 121.9711 107.6657 107.388 121.8541 107.9859 121.7322 122.2352 107.6109 121.9311 107.4187 107.6366 121.9675 107.3998 108.01 121.8356 121.7599 122.2221 107.6467 121.9282 107.3984 107.9784 121.7841 107.5948 121.9662 107.3476 121.827 122.2755 108.391 107.9692 121.5454 121.7248 106.4464 121.5537 108.3579 121.7409 123.4124 106.4648 121.2375 117.0476 121.4564 106.6816 86.2206 120.1066 122.4353 117.2731 107.6046 121.9742 107.4522 108.0077 121.8034 107.6555 121.7421 121.9879 107.414 122.1747 111.1828 113.583 114.0249 103.9026 101.9722 111.0837 111.7751 111.6836 115.7147 96.4933 111.7244 119.9503 121.3099 111.7273 124.9035 148.5024 111.6846 114.4864 93.6161 122.1313 126.9631 108.441 108.4544 121.4628 108.4639 121.4379 108.4567 121.4362 108.454 121.4689 121.446 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 9 9 9 10 10 10 24 24 24 9 9 9 10 10 10 30 30 30 5 5 5 6 6 6 10 10 10 5 5 5 10 10 10 30 30 30 6 6 6 6 10 10 10 10 24 24 24 24 5 5 5 7 7 7 11 11 11 4 4 4 8 8 8 11 11 11 4 4 4 11 11 11 30 30 30 5 5 5 11 11 11 30 30 30 7 7 7 7 8 8 8 8 11 11 11 11 12 12 12 24 24 24 32 32 32 9 9 9 12 12 12 24 24 24 8 8 8 12 12 12 32 32 32 4 4 4 8 8 8 12 12 12 4 4 4 9 9 9 12 12 12 9 9 9 13 13 13 30 30 30 2 2 2 8 8 8 13 13 13 3 3 3 3 8 8 8 8 13 13 13 13 2 2 2 14 14 14 30 30 30 1 1 1 14 14 14 30 30 30 6 6 6 6 7 7 7 7 14 14 14 14 1 1 1 15 15 15 24 24 24 5 5 5 7 7 7 15 15 15 1 1 1 5 5 5 15 15 15 5 5 5 6 6 6 16 16 16 2 2 2 5 5 5 16 16 16 2 2 2 4 4 4 17 17 17 4 4 4 18 18 18 30 30 30 3 3 3 3 18 18 18 18 24 24 24 24 20 20 23 23 30 30 21 21 21 21 21 23 23 23 23 23 19 19 19 22 22 22 1 1 1 9 9 9 25 25 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 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 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 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 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 21 21 21 21 21 21 24 24 24 24 24 24 24 24 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 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30 2 7 17 2 7 17 2 7 17 1 18 30 1 18 30 1 18 30 1 6 25 1 6 25 1 6 25 6 7 31 6 7 31 6 7 31 7 17 32 7 17 32 7 17 32 1 18 24 1 18 24 1 18 24 1 5 19 20 1 5 19 20 1 5 19 20 15 24 32 15 24 32 15 24 32 8 16 32 8 16 32 8 16 32 4 9 19 20 4 9 19 20 4 9 19 20 2 8 16 2 8 16 2 8 16 3 9 25 3 9 25 3 9 25 3 8 31 3 8 31 3 8 31 3 4 17 3 4 17 3 4 17 3 24 31 3 24 31 3 24 31 6 24 31 6 24 31 6 24 31 6 25 32 6 25 32 6 25 32 2 5 19 20 2 5 19 20 2 5 19 20 22 26 22 26 22 26 1 2 4 5 9 1 2 4 5 9 27 28 29 27 28 29 7 8 31 7 8 31 7 8 0.1226 -63.5542 146.9233 -146.0122 150.3111 0.7885 63.8096 0.1328 -149.3897 63.4494 -148.2915 0.3532 -147.1189 1.1402 149.7848 1.0252 149.2843 -62.0711 63.5524 -0.1295 -147.7612 -0.0637 -63.7456 148.6228 -150.212 146.1061 -1.5255 -63.5392 148.2641 -0.4164 146.8586 -1.3381 -150.0186 -1.1663 -149.363 61.9565 -1.7809 65.0817 -143.8804 -129.2746 146.747 -146.3905 4.6474 19.2532 -64.896 1.9665 153.0044 167.6102 -63.7598 -0.0114 146.4358 -0.1224 63.6261 -149.9268 149.7094 -146.5421 -0.095 -0.0687 63.6461 -146.917 -63.7551 -0.0404 149.3966 146.4303 -149.8549 -0.418 -63.3825 148.4151 -0.233 147.2974 -0.905 -149.5531 -1.0842 -149.2866 62.0653 63.4223 -148.4222 0.2935 -147.2154 0.9402 149.6559 1.0435 149.199 -62.0853 1.8043 -64.9782 142.1053 114.4797 64.9816 -1.801 -154.7175 177.6569 -146.6844 146.533 -6.3835 -34.0091 -148.2142 1.1191 149.3696 63.5619 -147.1047 1.1458 0.4295 149.7628 -61.9867 0.0278 63.2429 -148.1833 148.2776 -148.5073 0.0665 -63.1642 0.0509 148.6247 -63.4307 147.9502 -1.0872 148.4363 -0.1828 -149.2202 -0.2511 -148.8702 62.0924 0.0135 -63.2392 148.2761 63.2357 -0.017 -148.5018 -148.2607 148.4866 0.0018 63.2835 -0.575 -148.6553 0.4711 -63.3875 148.5322 -148.15 147.9914 -0.0889 -63.4534 148.3327 -0.3577 147.3258 -0.8881 -149.5785 -0.9714 -149.1854 62.1242 0.0871 147.7155 -63.6087 63.7768 -148.5948 0.081 -146.4317 1.1967 149.8725 -1.9594 64.8865 -149.8209 -153.8253 -65.1431 1.7027 146.9954 142.991 146.4074 -146.7468 -1.4541 -5.4585 148.458 -63.3888 -0.2287 -0.5901 147.5631 -149.2768 -149.1982 -1.045 62.1151 63.3747 -148.4719 0.2031 -147.4222 0.7312 149.4062 1.0517 149.2052 -62.1199 -64.9572 1.815 145.9141 134.1539 -1.7338 65.0384 -150.8625 -162.6227 146.5743 -146.6534 -2.5543 -14.3145 0.0368 -63.1468 148.2759 -148.2516 148.5649 -0.0125 63.2383 0.0547 -148.5226 63.1751 -0.0394 -148.3169 -0.0233 -63.2378 148.4847 -148.5796 148.2059 -0.0716 -0.5098 63.2981 -148.5804 -63.3962 0.4116 148.5331 148.0181 -148.1741 -0.0526 -63.2258 -0.051 148.2167 -0.0652 63.1096 -148.6228 148.5408 -148.2844 -0.0168 0.5005 -63.3481 148.5909 63.3861 -0.4624 -148.5234 -148.0363 148.1152 0.0542 -0.4362 63.3449 -148.546 -63.2813 0.4998 148.6089 148.1467 -148.0722 0.0369 63.4079 -148.4093 0.2279 -147.9867 0.1962 148.8334 1.1079 149.2907 -62.0721 1.8174 -65.0097 154.0527 -177.6029 -146.5648 146.6081 5.6705 34.0149 64.9883 -1.8389 -142.7765 -114.4321 -5.3404 179.7383 -179.3264 5.7523 84.7815 -90.1398 -81.7093 139.4672 65.0155 -150.52 -10.569 156.5438 17.7202 -56.7314 87.7331 -132.316 -114.4607 2.3046 130.9375 70.482 -172.7527 -44.1198 0.5437 -63.2812 148.601 63.3741 -0.4509 -148.5687 -148.0602 148.1149 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 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0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 def2TZVPP (5D, 7F) 1323 A 1135 A 1135 2158 1323 193 192 7603.7041528484 32 32 32 1.00e+00 60 F 0.000000 2.869061 0.000000 2.882224 2.881970 0.000000 2.866222 1.772880 1.781170 0.000000 1.773768 1.773512 3.387867 2.867821 0.000000 1.782503 2.882683 2.895230 3.387025 1.780737 0.000000 2.883575 1.781687 2.894753 2.881894 1.781355 1.790331 0.000000 3.388743 1.781174 1.789148 1.781958 2.882178 2.896290 1.789453 0.000000 1.771931 2.869372 1.781897 1.771605 2.869279 2.881936 3.388576 2.882611 0.000000 2.180262 4.842182 4.877007 4.837508 3.450959 3.486825 4.881051 5.568211 3.445231 0.000000 4.845237 2.180005 4.875894 3.449720 3.451576 4.877995 3.480346 3.478554 4.844912 6.520802 0.000000 4.860887 4.859270 2.165078 3.456152 5.552938 4.874125 4.872625 3.458355 3.457237 6.587633 6.583691 0.000000 4.841114 3.451153 3.479515 2.180847 4.844600 5.567317 4.878375 3.481699 3.447086 6.511756 4.033694 4.100932 0.000000 3.453798 3.451584 5.567994 4.847270 2.180432 3.475184 3.474632 4.875271 4.849466 4.039511 4.037240 7.732965 6.530374 0.000000 3.456495 4.861321 4.873795 5.552130 3.455676 2.165121 3.461865 4.875728 4.859147 4.113490 6.589016 6.585948 7.732233 4.092895 0.000000 4.862248 3.455886 4.873407 4.860058 3.456207 3.461626 2.165195 3.459624 5.553760 6.593569 4.101682 6.583799 6.588656 4.091364 4.075097 0.000000 5.553959 3.455440 3.459805 3.456732 4.860438 4.876046 3.460775 2.165237 4.860276 7.733165 4.098457 4.067484 4.104259 6.583591 6.589904 4.070976 0.000000 3.456977 4.858217 3.468372 3.456840 4.858546 4.875633 5.571209 4.875946 2.182687 4.036205 6.544888 4.077284 4.039449 6.552977 6.580874 7.736359 6.581682 0.000000 3.691612 3.770594 5.252070 3.855267 3.668699 5.113347 5.149216 5.233936 3.810153 4.045143 4.219252 6.970087 4.388128 4.021238 6.730549 6.792458 6.937537 4.336027 0.000000 3.334204 3.855612 5.424074 4.233503 3.264955 4.697615 4.940514 5.380022 3.952895 3.366878 4.465698 7.307029 5.184622 3.232649 6.054269 6.479294 7.231278 4.688628 1.082835 0.000000 4.172932 4.646874 5.496745 4.227450 4.617172 5.802283 6.022744 5.841968 3.912708 4.265719 5.274043 6.918144 4.396382 5.226217 7.462850 7.850382 7.532403 3.717942 1.338555 2.113664 0.000000 4.172651 5.272929 5.770461 4.773184 4.948575 5.914932 6.439730 6.357236 4.047849 3.769777 6.160490 7.134024 5.148433 5.526322 7.396372 8.334558 8.188377 3.500941 2.102722 2.445269 1.083711 0.000000 4.174740 3.435525 5.330013 3.720374 3.745414 5.346273 5.007254 4.995735 4.163287 4.910638 3.380320 7.040319 4.006556 4.071137 7.068147 6.478312 6.457470 4.934244 1.085266 1.849080 2.117948 3.076828 0.000000 1.781644 3.388241 1.789950 2.881041 2.881505 1.788576 2.895138 2.895882 1.781504 3.483900 5.567740 3.461425 4.875531 4.875976 3.458355 4.874267 4.875222 3.468308 5.177940 5.016808 5.470556 5.471957 5.535983 0.000000 3.456637 5.553511 3.460841 4.859680 4.859539 3.458660 4.873488 4.874609 3.456744 4.109893 7.732861 4.073548 6.585118 6.584783 4.066468 6.585675 6.587448 4.076859 6.843205 6.612327 6.871122 6.577318 7.393753 2.165277 0.000000 5.167379 5.171546 5.802846 4.436717 5.576423 6.720608 6.722352 6.170455 4.435941 5.548884 5.570000 6.874960 3.865753 6.408766 8.566912 8.570130 7.566194 3.905958 2.461254 3.451620 1.468727 2.188676 2.713005 6.168830 7.565779 0.000000 7.190342 7.259158 8.007034 6.639178 7.578064 8.806264 8.841178 8.357262 6.594778 7.151364 7.320831 8.961091 5.827673 8.035018 10.528178 10.594655 9.658951 5.753201 4.048954 4.891626 3.067966 3.392822 4.272237 8.298953 9.546758 2.214628 0.000000 5.399722 4.803192 5.723929 4.168755 5.510660 6.771629 6.484880 5.826829 4.599558 6.118386 4.871741 6.799811 3.281856 6.361659 8.718278 8.207177 6.994023 4.438465 2.624111 3.704839 2.145936 3.093025 2.419933 6.333860 7.936009 1.083672 2.689274 0.000000 5.256770 5.483905 5.559248 4.416771 5.925393 6.828433 6.938660 6.198081 4.244929 5.670799 6.151085 6.337601 3.712454 7.032077 8.712463 8.908650 7.564316 3.264794 3.260723 4.173886 2.151948 2.516443 3.594086 5.998265 7.191303 1.084674 2.660391 1.787887 0.000000 1.732487 1.732820 2.816210 1.731265 1.733524 2.815893 2.816070 2.815757 1.733902 3.428510 3.434495 4.804278 3.432439 3.441043 4.803449 4.803705 4.802938 3.455223 2.593668 2.659562 3.242222 3.677967 2.744784 2.816230 4.804673 3.995756 6.112170 3.963054 4.241529 0.000000 4.852750 4.851707 3.449851 4.851997 4.850746 3.450032 3.449253 3.450624 4.851874 6.609986 6.601120 4.067166 6.603559 6.593454 4.068799 4.067476 4.071235 6.582968 8.050619 7.893678 8.578973 8.774704 8.077274 3.449929 4.066922 9.113655 11.321532 8.994382 8.965254 5.465090 0.000000 2.874975 2.873903 1.784022 2.873598 2.873287 1.784727 1.783839 1.784816 2.874157 4.888475 4.882783 3.461902 4.883896 4.878616 3.463415 3.462513 3.464258 4.873535 5.887121 5.769326 6.439134 6.686424 5.936095 1.784445 3.462321 7.023841 9.222456 6.922924 6.965309 3.300156 2.164934 0.000000 C3H5B12I12(2-,2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1688.6177399999995 AuxInfo=1/0/N:19,21,26,27;30,1,5,9,2,4,6,24,7,3,8,32,10,14,18,11,13,15,25,16,12,17,31/E:;(2,3,4,5,6)(7,8,9,10,11)(13,14,15,16,17)(18,19,20,21,22)/CRV:1.3,2.3;1.5,2.6,3.6,4.6,5.6,6.6,7.6,8.6,9.6,10.6,11.6,12.6/rA:32nB6B6B6B6B6B6B6B6B6IIIIIIIIIC3HC3HHB6ICIHHB5IB6/rB:;;s2s3;s1s2;s1s5;s2s5s6;s2s3s4s7;s1s3s4;s1;s2;s3;s4;s5;s6;s7;s8;s9;;s19;s19;s21;s19;s1s3s6s9;s24;s21;s26;s26;s26;s1s2s4s5s9;;s3s6s7s8s24s31;/rC:-.1062,-1.4742,.6273;-.0128,1.3813,.8899;.5904,.1538,-1.6468;-.6693,.9969,-.7114;.3369,-.1475,1.7181;1.6038,-1.0039,.8057;1.6618,.778,.9689;1.0342,1.4931,-.5466;-.7256,-.7663,-.8744;-.9065,-3.3506,1.3967;-.6814,3.139,1.9926;.7455,.3491,-3.7975;-2.1773,2.2626,-1.6495;.1273,-.337,3.8801;3.0489,-2.2882,1.7804;3.1809,1.7677,2.1525;1.7521,3.3938,-1.2953;-2.2769,-1.7558,-2.0485;-3.3299,-.1417,1.8357;-2.7677,-.7754,2.5101;-4.1866,-.6607,.9476;-4.2656,-1.7354,.8326;-3.2407,.9307,1.9765;.9422,-1.3892,-.8107;1.5464,-3.163,-1.8956;-4.9665,.1741,.0246;-7.1337,.0385,.4597;-4.7497,1.2326,.1089;-4.9237,-.1518,-1.009;-1.0248,-.0055,.6547;4.0304,.0221,-1.4218;2.0277,.0113,-.5996; 0.0332973 0.0234545 0.0232650 1 -3987.88212409 0.7634 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=11111111111111111111111111111111 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. 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. There are 99 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 96 vectors produced by pass 0 Test12= 3.67D-13 1.01D-09 XBig12= 1.13D+03 1.06D+01. AX will form 96 AO Fock derivatives at one time. 96 vectors produced by pass 1 Test12= 3.67D-13 1.01D-09 XBig12= 2.20D+02 2.91D+00. 96 vectors produced by pass 2 Test12= 3.67D-13 1.01D-09 XBig12= 8.01D+00 2.88D-01. 96 vectors produced by pass 3 Test12= 3.67D-13 1.01D-09 XBig12= 4.05D-01 1.03D-01. 96 vectors produced by pass 4 Test12= 3.67D-13 1.01D-09 XBig12= 1.35D-02 1.38D-02. 96 vectors produced by pass 5 Test12= 3.67D-13 1.01D-09 XBig12= 3.27D-04 1.92D-03. 96 vectors produced by pass 6 Test12= 3.67D-13 1.01D-09 XBig12= 6.66D-06 1.92D-04. 96 vectors produced by pass 7 Test12= 3.67D-13 1.01D-09 XBig12= 1.18D-07 2.93D-05. 81 vectors produced by pass 8 Test12= 3.67D-13 1.01D-09 XBig12= 1.73D-09 2.59D-06. 19 vectors produced by pass 9 Test12= 3.67D-13 1.01D-09 XBig12= 2.01D-11 3.23D-07. 3 vectors produced by pass 10 Test12= 3.67D-13 1.01D-09 XBig12= 3.16D-13 2.26D-08. 3 vectors produced by pass 11 Test12= 3.67D-13 1.01D-09 XBig12= 3.33D-12 9.65D-08. 3 vectors produced by pass 12 Test12= 3.67D-13 1.01D-09 XBig12= 1.65D-11 2.01D-07. 3 vectors produced by pass 13 Test12= 3.67D-13 1.01D-09 XBig12= 4.58D-12 8.64D-08. 3 vectors produced by pass 14 Test12= 3.67D-13 1.01D-09 XBig12= 2.30D-12 5.98D-08. 3 vectors produced by pass 15 Test12= 3.67D-13 1.01D-09 XBig12= 7.00D-13 3.82D-08. 3 vectors produced by pass 16 Test12= 3.67D-13 1.01D-09 XBig12= 1.33D-12 5.87D-08. 3 vectors produced by pass 17 Test12= 3.67D-13 1.01D-09 XBig12= 1.39D-13 1.41D-08. 3 vectors produced by pass 18 Test12= 3.67D-13 1.01D-09 XBig12= 6.10D-13 3.37D-08. 3 vectors produced by pass 19 Test12= 3.67D-13 1.01D-09 XBig12= 3.30D-13 1.73D-08. 3 vectors produced by pass 20 Test12= 3.67D-13 1.01D-09 XBig12= 1.65D-12 4.51D-08. 3 vectors produced by pass 21 Test12= 3.67D-13 1.01D-09 XBig12= 6.18D-13 1.95D-08. 3 vectors produced by pass 22 Test12= 3.67D-13 1.01D-09 XBig12= 7.24D-13 2.95D-08. 3 vectors produced by pass 23 Test12= 3.67D-13 1.01D-09 XBig12= 6.59D-13 3.11D-08. 3 vectors produced by pass 24 Test12= 3.67D-13 1.01D-09 XBig12= 2.13D-13 1.71D-08. 3 vectors produced by pass 25 Test12= 3.67D-13 1.01D-09 XBig12= 4.49D-13 2.52D-08. 3 vectors produced by pass 26 Test12= 3.67D-13 1.01D-09 XBig12= 3.65D-13 2.02D-08. 3 vectors produced by pass 27 Test12= 3.67D-13 1.01D-09 XBig12= 3.00D-13 1.78D-08. 3 vectors produced by pass 28 Test12= 3.67D-13 1.01D-09 XBig12= 1.86D-13 1.35D-08. 3 vectors produced by pass 29 Test12= 3.67D-13 1.01D-09 XBig12= 2.89D-13 2.45D-08. 3 vectors produced by pass 30 Test12= 3.67D-13 1.01D-09 XBig12= 1.21D-13 1.32D-08. 3 vectors produced by pass 31 Test12= 3.67D-13 1.01D-09 XBig12= 3.99D-13 2.19D-08. 3 vectors produced by pass 32 Test12= 3.67D-13 1.01D-09 XBig12= 1.47D-13 1.29D-08. 3 vectors produced by pass 33 Test12= 3.67D-13 1.01D-09 XBig12= 1.88D-13 1.35D-08. 3 vectors produced by pass 34 Test12= 3.67D-13 1.01D-09 XBig12= 1.82D-13 1.42D-08. 3 vectors produced by pass 35 Test12= 3.67D-13 1.01D-09 XBig12= 2.50D-13 1.57D-08. 3 vectors produced by pass 36 Test12= 3.67D-13 1.01D-09 XBig12= 2.98D-13 1.99D-08. 3 vectors produced by pass 37 Test12= 3.67D-13 1.01D-09 XBig12= 1.64D-13 1.40D-08. 3 vectors produced by pass 38 Test12= 3.67D-13 1.01D-09 XBig12= 1.57D-13 1.48D-08. 3 vectors produced by pass 39 Test12= 3.67D-13 1.01D-09 XBig12= 1.62D-13 1.31D-08. 3 vectors produced by pass 40 Test12= 3.67D-13 1.01D-09 XBig12= 2.81D-13 2.05D-08. 2 vectors produced by pass 41 Test12= 3.67D-13 1.01D-09 XBig12= 1.55D-13 1.13D-08. 1 vectors produced by pass 42 Test12= 3.67D-13 1.01D-09 XBig12= 8.01D-16 1.35D-09. InvSVY: IOpt=1 It= 1 EMax= 2.13D-14 Solved reduced A of dimension 964 with 99 vectors. Isotropic polarizability for W= 0.000000 591.53 Bohr**3. 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1.18652 1.19197 1.19482 1.19605 1.20233 1.20336 1.20456 1.20503 1.20619 1.20641 1.20788 1.20952 1.21615 1.21734 1.21998 1.22378 1.22916 1.23661 1.24151 1.24513 1.24736 1.25212 1.25780 1.26290 1.26983 1.27719 1.28067 1.28275 1.28910 1.29325 1.29647 1.29937 1.30153 1.30273 1.30408 1.30959 1.31400 1.31877 1.32348 1.32714 1.33099 1.33327 1.33423 1.33969 1.34261 1.34492 1.34967 1.35875 1.36128 1.36257 1.37253 1.37537 1.38332 1.38791 1.39373 1.39749 1.40203 1.40916 1.41337 1.41875 1.42093 1.42486 1.43180 1.43452 1.43962 1.45052 1.45620 1.46452 1.47342 1.47896 1.49420 1.49677 1.50079 1.50259 1.50718 1.51027 1.51554 1.51761 1.51960 1.52265 1.52604 1.52809 1.53378 1.54665 1.55222 1.55820 1.56338 1.56843 1.56873 1.57109 1.57393 1.57955 1.58299 1.58441 1.58924 1.59180 1.59402 1.59729 1.60283 1.60461 1.60950 1.61265 1.61339 1.62295 1.62704 1.62827 1.63193 1.63317 1.63641 1.63926 1.64659 1.64742 1.65172 1.65304 1.65864 1.66081 1.66609 1.66855 1.67847 1.67984 1.68070 1.68578 1.69533 1.70024 1.70794 1.71088 1.71730 1.72217 1.72826 1.73178 1.73244 1.73627 1.73941 1.74336 1.75044 1.75334 1.76397 1.76788 1.77248 1.77452 1.77743 1.77972 1.78101 1.78399 1.78538 1.78911 1.79066 1.79342 1.79556 1.79877 1.80130 1.80574 1.80906 1.80966 1.81392 1.82030 1.82193 1.82596 1.82817 1.82984 1.83500 1.84314 1.84484 1.84693 1.84946 1.85041 1.85234 1.85286 1.85483 1.85886 1.86057 1.86304 1.86561 1.87138 1.87341 1.87571 1.87773 1.88588 1.89016 1.89376 1.90045 1.90444 1.90664 1.90769 1.91482 1.91938 1.92332 1.92503 1.93137 1.93359 1.93872 1.94286 1.94635 1.95025 1.95205 1.95441 1.95629 1.95825 1.95945 1.96114 1.96260 1.96411 1.96688 1.96918 1.97087 1.97467 1.98085 1.98364 1.99910 2.00851 2.01492 2.02669 2.03708 2.04021 2.05079 2.05163 2.05432 2.05641 2.05801 2.06083 2.06171 2.06261 2.06741 2.07153 2.07343 2.07538 2.07863 2.08184 2.08560 2.08848 2.09298 2.10768 2.11364 2.12799 2.15492 2.15783 2.17920 2.19031 2.19422 2.19531 2.19972 2.20068 2.20183 2.21212 2.23434 2.25422 2.27411 2.28335 2.29523 2.30984 2.31084 2.31129 2.32211 2.33451 2.34033 2.36022 2.38073 2.38482 2.39424 2.40027 2.42305 2.42432 2.42601 2.43109 2.43367 2.43601 2.44003 2.45357 2.46080 2.46351 2.46479 2.48066 2.48432 2.52115 2.53702 2.53947 2.55778 2.55955 2.56267 2.56449 2.56872 2.58591 2.61042 2.61470 2.62017 2.62373 2.62516 2.62829 2.63453 2.63816 2.65633 2.67972 2.68164 2.69209 2.69358 2.72979 2.73769 2.75136 2.75937 2.76112 2.76988 2.77751 2.77794 2.79375 2.80823 2.81024 2.81512 2.81831 2.82709 2.83228 2.83537 2.85467 2.85649 2.86356 2.86625 2.87348 2.87464 2.87578 2.88246 2.89716 2.90431 2.90543 2.91549 2.93116 2.94639 2.96109 2.96847 2.97222 2.97346 2.97797 2.98059 2.98725 2.98971 2.99352 3.00333 3.01577 3.02865 3.03827 3.04722 3.05515 3.05879 3.06514 3.07578 3.08585 3.09751 3.10965 3.11447 3.11602 3.11850 3.12415 3.13029 3.13193 3.13326 3.14390 3.14547 3.15833 3.16270 3.17023 3.18302 3.19244 3.19730 3.20498 3.21230 3.22459 3.22861 3.23597 3.24512 3.25528 3.27782 3.27862 3.29094 3.29549 3.29694 3.30162 3.30693 3.31091 3.31313 3.32135 3.32283 3.32806 3.32836 3.33561 3.33891 3.34131 3.34640 3.35007 3.35402 3.36016 3.36393 3.36448 3.36583 3.36679 3.36741 3.36792 3.36904 3.37050 3.37219 3.37448 3.37629 3.37883 3.38048 3.38460 3.39017 3.39711 3.39986 3.40386 3.40653 3.40748 3.41158 3.41304 3.41493 3.41589 3.41623 3.41873 3.42070 3.42558 3.42663 3.42751 3.42975 3.43262 3.44077 3.44366 3.46658 3.47168 3.47624 3.47840 3.47940 3.48198 3.48654 3.48901 3.49465 3.49777 3.50321 3.50501 3.50736 3.50964 3.51308 3.51476 3.51611 3.51807 3.51846 3.52944 3.53238 3.53823 3.54144 3.54223 3.54794 3.55058 3.55962 3.56470 3.56973 3.57283 3.57418 3.57977 3.58905 3.59200 3.60312 3.61203 3.62536 3.62751 3.63566 3.64053 3.65124 3.65379 3.65991 3.65999 3.66911 3.67415 3.67482 3.67940 3.69926 3.70232 3.70692 3.70937 3.71353 3.71723 3.72592 3.73673 3.74395 3.74649 3.74875 3.75957 3.76484 3.76597 3.76624 3.76799 3.77549 3.77584 3.77823 3.78283 3.78759 3.79024 3.80455 3.80928 3.81486 3.81652 3.81740 3.81932 3.82498 3.82647 3.83473 3.84580 3.85399 3.89543 3.91189 3.92973 3.93833 3.95148 3.95318 3.96497 3.96705 3.97490 3.98653 3.99009 3.99064 4.00741 4.02500 4.04765 4.09084 4.10917 4.11518 4.11808 4.14226 4.15977 4.21586 4.23024 4.25109 4.28214 4.32102 4.33824 4.37160 4.38875 4.43639 4.50424 4.51923 4.53879 4.58029 4.67398 4.72998 4.77262 4.78333 4.79850 4.86944 4.89536 4.91401 4.95292 4.95609 4.97002 4.97567 4.98081 4.98276 4.98622 5.00201 5.00826 5.08017 5.08923 5.10942 5.12756 5.13110 5.21203 5.26098 5.28593 5.41650 5.46412 5.48095 5.51902 5.58890 5.65447 5.67563 5.77388 5.93236 6.37725 14.96313 14.96794 14.97142 14.97243 14.98442 15.01968 15.03283 15.04602 15.07153 15.07258 15.11887 15.22147 23.40214 23.41083 23.94702 34.66278 34.67331 34.80782 34.81182 34.82302 34.82709 34.83226 34.85627 34.86092 34.86228 34.86634 34.87522 34.87680 34.88223 34.88270 34.88612 34.89116 34.89520 34.89743 34.90449 34.91381 34.91975 34.97554 34.97843 34.98412 35.08093 35.09051 35.09448 35.11437 35.11811 35.12003 35.14166 35.16262 35.16419 35.16611 35.16781 42.98364 43.26010 43.30088 43.30231 43.31121 43.31594 43.31624 43.31942 43.32106 43.34966 43.36046 43.36318 117.73934 117.83642 117.84670 117.84697 117.84971 117.85015 117.85044 117.85126 117.85159 117.85957 117.86160 117.86218 2-A. 0.3342 0.1893 0.9233 0.7941 0.471 -0.384 -0.5076 0.8616 0.0071 -0.0138 -0.0111 0.0249 -2.366 -1.899 4.265 -0.844 -0.677 1.522 -0.789 -0.633 1.423 1 B 11 0.3319 -0.3868 0.8603 0.7519 -0.4423 -0.489 0.5697 0.8092 0.144 -0.0141 -0.0115 0.0256 -2.415 -1.971 4.387 -0.862 -0.703 1.565 -0.806 -0.657 1.463 2 B 11 0.6464 -0.1693 0.7439 0.0926 0.9853 0.1437 0.7573 0.0241 -0.6526 -0.0038 -0.0036 0.0074 -0.648 -0.622 1.27 -0.231 -0.222 0.453 -0.216 -0.208 0.424 3 B 11 0.1903 0.7714 0.6072 0.9658 -0.2582 0.0254 -0.1764 -0.5815 0.7942 -0.014 -0.0111 0.0251 -2.398 -1.906 4.304 -0.856 -0.68 1.536 -0.8 -0.636 1.436 4 B 11 0.0238 0.9929 0.1169 -0.6362 -0.0752 0.7678 0.7711 -0.0927 0.6299 -0.014 -0.0115 0.0255 -2.399 -1.973 4.372 -0.856 -0.704 1.56 -0.8 -0.658 1.458 5 B 11 0.0588 0.7626 -0.6442 0.2583 0.6117 0.7477 0.9643 -0.2104 -0.161 -0.004 -0.0037 0.0077 -0.681 -0.64 1.322 -0.243 -0.228 0.472 -0.227 -0.214 0.441 6 B 11 0.0419 0.4101 0.9111 -0.1856 0.8992 -0.3962 0.9817 0.1525 -0.1138 -0.0041 -0.0037 0.0078 -0.698 -0.632 1.33 -0.249 -0.226 0.475 -0.233 -0.211 0.444 7 B 11 -0.4159 0.8865 -0.2028 0.3253 0.3533 0.8771 0.8492 0.2988 -0.4353 -0.004 -0.0037 0.0077 -0.692 -0.633 1.325 -0.247 -0.226 0.473 -0.231 -0.211 0.442 8 B 11 -0.1899 0.8616 -0.4707 0.9729 0.2294 0.0274 -0.1316 0.4527 0.8819 -0.0139 -0.0105 0.0244 -2.383 -1.791 4.173 -0.85 -0.639 1.489 -0.795 -0.597 1.392 9 B 11 -0.0804 0.2725 0.9588 0.9938 -0.0518 0.0981 0.0764 0.9608 -0.2667 -0.0072 -0.0067 0.0138 -0.773 -0.716 1.488 -0.276 -0.255 0.531 -0.258 -0.239 0.496 10 I 127 0.8881 0.1773 -0.4241 0.4591 -0.3867 0.7998 0.0222 0.905 0.4248 -0.0075 -0.0072 0.0147 -0.811 -0.771 1.581 -0.289 -0.275 0.564 -0.27 -0.257 0.527 11 I 127 -0.6355 0.7451 -0.2024 0.6888 0.6655 0.2875 -0.3489 -0.0433 0.9362 -0.0023 -0.0021 0.0044 -0.244 -0.229 0.473 -0.087 -0.082 0.169 -0.081 -0.076 0.158 12 I 127 -0.4275 0.4754 0.7689 0.81 0.5791 0.0923 -0.4014 0.6623 -0.6326 -0.0072 -0.007 0.0142 -0.778 -0.751 1.529 -0.278 -0.268 0.546 -0.26 -0.25 0.51 13 I 127 0.8442 -0.482 -0.2343 0.4923 0.8703 -0.0166 0.2119 -0.1013 0.972 -0.0071 -0.0069 0.0141 -0.765 -0.747 1.512 -0.273 -0.266 0.539 -0.255 -0.249 0.504 14 I 127 -0.4004 -0.2993 0.8661 0.3499 0.8236 0.4464 0.8469 -0.4817 0.2251 -0.0023 -0.0022 0.0045 -0.249 -0.238 0.486 -0.089 -0.085 0.174 -0.083 -0.079 0.162 15 I 127 -0.4575 0.4532 0.7651 -0.1305 0.8169 -0.5619 0.8796 0.3569 0.3146 -0.0023 -0.0022 0.0046 -0.25 -0.24 0.49 -0.089 -0.085 0.175 -0.084 -0.08 0.163 16 I 127 -0.6592 0.7074 0.2551 0.472 0.1252 0.8726 0.5854 0.6956 -0.4165 -0.0024 -0.0022 0.0046 -0.253 -0.24 0.494 -0.09 -0.086 0.176 -0.085 -0.08 0.165 17 I 127 -0.2605 0.855 -0.4485 0.787 -0.081 -0.6116 0.5592 0.5123 0.6518 -0.0073 -0.0045 0.0118 -0.781 -0.487 1.269 -0.279 -0.174 0.453 -0.261 -0.163 0.423 18 I 127 0.7399 -0.001 -0.6727 -0.2231 0.943 -0.2469 0.6346 0.3328 0.6975 -0.0873 0.0364 0.0509 -11.717 4.886 6.831 -4.181 1.743 2.438 -3.908 1.63 2.279 19 C 13 -0.6339 0.6775 -0.373 0.3161 0.6671 0.6746 0.7059 0.3097 -0.637 -0.0101 -0.0022 0.0123 -5.397 -1.155 6.552 -1.926 -0.412 2.338 -1.8 -0.385 2.185 20 H 1 0.6636 0.1001 0.7414 -0.0725 0.9949 -0.0695 0.7446 0.0076 -0.6675 -0.1042 -0.102 0.2062 -13.977 -13.69 27.668 -4.987 -4.885 9.872 -4.662 -4.567 9.229 21 C 13 0.5285 -0.1218 0.8401 0.8071 -0.2348 -0.5418 0.2632 0.9644 -0.0258 -0.0139 -6.0E-4 0.0145 -7.421 -0.32 7.742 -2.648 -0.114 2.762 -2.475 -0.107 2.582 22 H 1 0.2103 0.9651 -0.1558 0.4496 0.046 0.892 0.8681 -0.2577 -0.4243 -0.0099 -0.0017 0.0116 -5.304 -0.891 6.195 -1.893 -0.318 2.211 -1.769 -0.297 2.066 23 H 1 0.3642 0.9294 0.0603 0.4289 -0.2249 0.8749 0.8267 -0.2928 -0.4805 -0.0038 -0.0036 0.0074 -0.65 -0.615 1.266 -0.232 -0.22 0.452 -0.217 -0.205 0.422 24 B 11 0.3788 0.7438 -0.5507 0.7695 0.0774 0.6339 -0.5142 0.6639 0.543 -0.0022 -0.0021 0.0044 -0.241 -0.231 0.472 -0.086 -0.082 0.168 -0.08 -0.077 0.157 25 I 127 0.7705 0.1064 -0.6285 0.1388 0.9343 0.3283 0.6221 -0.3402 0.7051 -0.0129 0.0019 0.011 -1.729 0.254 1.475 -0.617 0.091 0.526 -0.577 0.085 0.492 26 C 13 -0.0223 -0.3003 0.9536 0.0962 0.9488 0.301 0.9951 -0.0985 -0.0077 -0.0083 -0.0077 0.0159 -0.887 -0.824 1.711 -0.317 -0.294 0.61 -0.296 -0.275 0.571 27 I 127 0.1122 0.5522 0.8261 0.608 0.6195 -0.4966 0.786 -0.558 0.2662 -0.0038 -0.0012 0.005 -2.036 -0.647 2.683 -0.727 -0.231 0.957 -0.679 -0.216 0.895 28 H 1 0.0308 0.938 0.3451 0.693 0.2288 -0.6837 0.7203 -0.2603 0.643 -0.0034 -8.0E-4 0.0042 -1.8 -0.428 2.228 -0.642 -0.153 0.795 -0.601 -0.143 0.743 29 H 1 -0.1994 0.854 -0.4805 0.3278 0.5202 0.7886 0.9235 -3.0E-4 -0.3837 -0.1658 -0.1655 0.3313 -28.381 -28.335 56.715 -10.127 -10.111 20.237 -9.467 -9.451 18.918 30 B 11 -0.1994 0.8458 -0.4948 0.3306 0.5334 0.7786 0.9225 -0.0084 -0.3859 -3.0E-4 -3.0E-4 7.0E-4 -0.036 -0.036 0.072 -0.013 -0.013 0.026 -0.012 -0.012 0.024 31 I 127 -122.8857 -2.4174 -0.0007 -0.0005 -0.0000 2.1779 3.3425 13.0303 15.9446 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -122.8856 12.9918 15.8833 42.1104 52.1514 53.2144 54.7086 56.3380 57.6911 59.3530 61.2548 61.9098 64.4634 65.9280 69.3207 69.5453 70.3132 70.9772 71.5688 74.3917 75.7411 82.0467 82.4472 83.2719 88.1081 122.9496 143.6781 143.7737 144.2483 144.3653 144.5202 149.1307 150.7242 150.9614 270.7380 326.4413 340.8063 344.0648 363.5686 376.5899 378.0094 399.8476 490.1202 591.4694 593.3122 594.7270 595.2654 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3.832 23 0.600 1.961 3.812 24 0.601 1.958 3.702 25 0.610 1.930 3.053 26 0.616 1.909 2.754 27 0.616 1.909 2.753 28 0.616 1.909 2.747 29 0.616 1.909 2.745 30 0.616 1.909 2.743 31 0.618 1.904 2.683 32 0.618 1.902 2.663 33 0.618 1.902 2.660 34 0.674 1.727 1.591 35 0.710 1.623 1.278 36 0.720 1.594 1.208 37 0.723 1.587 1.193 38 0.737 1.547 1.107 39 0.747 1.520 1.053 40 0.748 1.517 1.047 41 0.766 1.470 0.963 42 0.846 1.272 0.683 43 0.949 1.050 0.465 44 0.951 1.046 0.461 45 0.952 1.043 0.459 46 0.953 1.042 0.458 47 0.959 1.031 0.449 48 0.959 1.030 0.448 0.297853e-25 -25.525998 -58.775782 0.568593e+37 36.754802 84.631058 0.266439e-43 -43.574403 -100.333770 1 0.159478e+02 1.202701 2.769322 2 0.130435e+02 1.115395 2.568293 3 0.491252e+01 0.691305 1.591788 4 0.396305e+01 0.598030 1.377014 5 0.388346e+01 0.589219 1.356728 6 0.377681e+01 0.577125 1.328879 7 0.366693e+01 0.564303 1.299356 8 0.358040e+01 0.553931 1.275473 9 0.347949e+01 0.541515 1.246885 10 0.337071e+01 0.527721 1.215123 11 0.333479e+01 0.523068 1.204408 12 0.320168e+01 0.505378 1.163677 13 0.312998e+01 0.495542 1.141027 14 0.297547e+01 0.473556 1.090402 15 0.296577e+01 0.472137 1.087136 16 0.293307e+01 0.467323 1.076051 17 0.290537e+01 0.463201 1.066561 18 0.288112e+01 0.459561 1.058179 19 0.277068e+01 0.442587 1.019094 20 0.272079e+01 0.434695 1.000923 21 0.250927e+01 0.399547 0.919992 22 0.249692e+01 0.397405 0.915059 23 0.247186e+01 0.393025 0.904973 24 0.233431e+01 0.368159 0.847718 25 0.166097e+01 0.220363 0.507404 26 0.141379e+01 0.150386 0.346277 27 0.141282e+01 0.150086 0.345586 28 0.140798e+01 0.148598 0.342159 29 0.140680e+01 0.148231 0.341315 30 0.140523e+01 0.147747 0.340200 31 0.136001e+01 0.133543 0.307493 32 0.134501e+01 0.128727 0.296405 33 0.134281e+01 0.128014 0.294764 34 0.713562e+00 -0.146568 -0.337485 35 0.573620e+00 -0.241376 -0.555788 36 0.544562e+00 -0.263953 -0.607774 37 0.538288e+00 -0.268986 -0.619362 38 0.502941e+00 -0.298483 -0.687283 39 0.481253e+00 -0.317626 -0.731361 40 0.478974e+00 -0.319688 -0.736110 41 0.445810e+00 -0.350850 -0.807863 42 0.338261e+00 -0.470749 -1.083939 43 0.254667e+00 -0.594027 -1.367797 44 0.253401e+00 -0.596192 -1.372784 45 0.252433e+00 -0.597854 -1.376609 46 0.252066e+00 -0.598486 -1.378065 47 0.248612e+00 -0.604478 -1.391862 48 0.248168e+00 -0.605255 -1.393651 0.508624e+19 18.706397 43.073071 1 0.164557e+02 1.216315 2.800669 2 0.135531e+02 1.132039 2.606616 3 0.543790e+01 0.735431 1.693393 4 0.449447e+01 0.652678 1.502847 5 0.441552e+01 0.644982 1.485126 6 0.430976e+01 0.634453 1.460882 7 0.420087e+01 0.623339 1.435291 8 0.411514e+01 0.614385 1.414673 9 0.401523e+01 0.603710 1.390094 10 0.390759e+01 0.591909 1.362921 11 0.387206e+01 0.587942 1.353787 12 0.374049e+01 0.572929 1.319217 13 0.366966e+01 0.564626 1.300100 14 0.351719e+01 0.546196 1.257662 15 0.350762e+01 0.545013 1.254938 16 0.347538e+01 0.541003 1.245705 17 0.344808e+01 0.537577 1.237817 18 0.342418e+01 0.534557 1.230863 19 0.331544e+01 0.520541 1.198590 20 0.326635e+01 0.514063 1.183674 21 0.305860e+01 0.485523 1.117957 22 0.304649e+01 0.483800 1.113991 23 0.302193e+01 0.480284 1.105895 24 0.288726e+01 0.460486 1.060309 25 0.223460e+01 0.349199 0.804062 26 0.199961e+01 0.300944 0.692950 27 0.199868e+01 0.300744 0.692489 28 0.199413e+01 0.299753 0.690207 29 0.199301e+01 0.299509 0.689646 30 0.199153e+01 0.299187 0.688904 31 0.194901e+01 0.289814 0.667322 32 0.193494e+01 0.286668 0.660079 33 0.193288e+01 0.286204 0.659009 34 0.137130e+01 0.137134 0.315762 35 0.126095e+01 0.100697 0.231863 36 0.123929e+01 0.093172 0.214537 37 0.123468e+01 0.091554 0.210811 38 0.120919e+01 0.082494 0.189950 39 0.119398e+01 0.076996 0.177290 40 0.119240e+01 0.076421 0.175967 41 0.116989e+01 0.068143 0.156906 42 0.110367e+01 0.042840 0.098643 43 0.106112e+01 0.025764 0.059325 44 0.106055e+01 0.025530 0.058784 45 0.106011e+01 0.025351 0.058372 46 0.105994e+01 0.025283 0.058216 47 0.105840e+01 0.024649 0.056756 48 0.105820e+01 0.024568 0.056569 0.200000e+01 0.301030 0.693147 0.274521e+10 9.438576 21.733123 0.203610e+09 8.308799 19.131717 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.3291 0.0199 -0.2653 0.4231 -525.9280 -478.2163 -477.8590 -0.0399 1.4716 -0.0078 -31.9269 15.7848 16.1421 -0.0399 1.4716 -0.0078 376.7999 3.2072 -40.5913 -7.7621 -0.5212 -39.2941 -4.9138 1.2197 -13.0663 -0.5188 -23980.8309 -11299.7724 -11163.1678 11.5601 276.9171 -13.6634 6.1048 87.3732 6.5465 -5382.6306 -5394.4618 -3743.3012 5.3693 21.9337 -5.9260 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 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