From owner-chemistry;at;ccl.net Wed Nov 5 12:53:00 2008 From: "Jean-Christophe Poully poully*o*galilee.univ-paris13.fr" To: CCL Subject: CCL:G: Failure calculation of electronic density by G98 Message-Id: <-38037-081105115257-17529-wKUB9Wm7NfEg8MHTN7gtYw%server.ccl.net> X-Original-From: Jean-Christophe Poully Content-Transfer-Encoding: quoted-printable Content-Type: text/plain; charset="iso-8859-1"; format=flowed Date: Wed, 05 Nov 2008 17:16:15 +0100 Mime-Version: 1.0 Sent to CCL by: Jean-Christophe Poully [poully]=[galilee.univ-paris13.fr] Dear Dr Dong, I noticed that Gaussian outputs ending by=20 "writwa" indicate a lack of memory. You should=20 try to increase %mem and maxdisk it if you have the possibility to do it! Regards, JC Poully At 04:04 01/11/2008, you wrote: >Sent to CCL by: "Yi-wen Dong" [typ2469-*-163.com] >Dear sir, >My G98 calculation for a quite large molecule=20 >failed many times. Any comments are highly appreciated. Thank you. > > >Best wishes > >Dr. Yi-wen Dong > > >The first and the last lines of output as follows: > > Entering Link 1 =3D e:\programs\g98\l1.exe PID=3D 5300. > > Copyright (c) 1988,1990,1992,1993,1995,1998 Gaussian, Inc. > All Rights Reserved. > > This is part of the Gaussian(R) 98 program. It is based on > the Gaussian 94(TM) system (copyright 1995 Gaussian, Inc.), > the Gaussian 92(TM) system (copyright 1992 Gaussian, Inc.), > the Gaussian 90(TM) system (copyright 1990 Gaussian, Inc.), > the Gaussian 88(TM) system (copyright 1988 Gaussian, Inc.), > the Gaussian 86(TM) system (copyright 1986 Carnegie Mellon > University), and the Gaussian 82(TM) system (copyright 1983 > Carnegie Mellon University). Gaussian is a federally registered > trademark of Gaussian, Inc. > > This software contains proprietary and confidential information, > including trade secrets, belonging to Gaussian, Inc. > > This software is provided under written license and may be > used, copied, transmitted, or stored only in accord with that > written license. > > The following legend is applicable only to US Government > contracts under DFARS: > > RESTRICTED RIGHTS LEGEND > > Use, duplication or disclosure by the US Government is subject > to restrictions as set forth in subparagraph (c)(1)(ii) of the > Rights in Technical Data and Computer Software clause at DFARS > 252.227-7013. > > Gaussian, Inc. > Carnegie Office Park, Building 6, Pittsburgh, PA 15106 USA > > The following legend is applicable only to US Government > contracts under FAR: > > RESTRICTED RIGHTS LEGEND > > Use, reproduction and disclosure by the US Government is subject > to restrictions as set forth in subparagraph (c) of the > Commercial Computer Software - Restricted Rights clause at FAR > 52.227-19. > > Gaussian, Inc. > Carnegie Office Park, Building 6, Pittsburgh, PA 15106 USA > > > --------------------------------------------------------------- > Warning -- This program may not be used in any manner that > competes with the business of Gaussian, Inc. or will provide > assistance to any competitor of Gaussian, Inc. The licensee > of this program is prohibited from giving any competitor of > Gaussian, Inc. access to this program. By using this program, > the user acknowledges that Gaussian, Inc. is engaged in the > business of creating and licensing software in the field of > computational chemistry and represents and warrants to the > licensee that it is not a competitor of Gaussian, Inc. and that > it will not use this program in any manner prohibited above. > --------------------------------------------------------------- > > > Cite this work as: > Gaussian 98, Revision A.9, > M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, > M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., > R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, > A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, > V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, > S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, > K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, > J. B. Foresman, J. Cioslowski, J. V. Ortiz, A. G. Baboul, > B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, > R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, > C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, > B. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzalez, > M. Head-Gordon, E. S. Replogle, and J. A. Pople, > Gaussian, Inc., Pittsburgh PA, 1998. > > ********************************************* > Gaussian 98: x86-Win32-G98RevA.9 19-Apr-2000 > 31-Oct-2008 > ********************************************* > %rwf=3Da 245mw b 245mw c 245mw d 245mw > %e 245mw f 245mw g 245mw h 245mw > %Nosave > %chk=3DZn5_NO_d > %mem=3D600mb > Default route: MaxDisk=3D2000MB > ---------------------------------------------------------------------- > #p b3lyp/gen pseudo=3Dread cube=3Ddensity scf=3Ddirect pop=3Dfull= maxdisk=3D1960 > mw Test > ---------------------------------------------------------------------- > 1/38=3D1/1; > 2/17=3D6,18=3D5,40=3D1/2; > 3/5=3D7,11=3D2,16=3D1,17=3D8,25=3D1,30=3D1/1,2,3; > 4/11=3D1/1; > 5/5=3D2,32=3D1,38=3D4,42=3D-5/2; > 6/7=3D3,28=3D1/1,4; > 99/5=3D1,9=3D1/99; > Leave Link 1 at Fri Oct 31 21:27:37 2008,=20 > MaxMem=3D 78643200 cpu: 0.0 > (Enter e:\programs\g98\l101.exe) > ----------------------- > O,N-bridge Zn5 oligomer > ----------------------- > Symbolic Z-matrix: > Charge =3D 0 Multiplicity =3D 1 > Zn > O 1 R2 > O 1 R3 2 A3 > N 1 R4 2 A4 3 D4 0 > N 1 R5 2 A5 3 D5 0 > C 2 R6 1 A6 3 D6 0 > C 3 R7 1 A7 2 D7 0 > C 4 R8 1 A8 2 D8 0 > C 4 R9 1 A9 8 D9 0 > C 5 R10 1 A10 2 D10 0 > C 5 R11 1 A11 10 D11 0 > N 8 R12 4 A12 1 D12 0 > C 6 R13 2 A13 1 D13 0 > C 6 R14 2 A14 13 D14 0 > C 7 R15 3 A15 1 D15 0 > C 7 R16 3 A16 15 D16 0 > C 9 R17 4 A17 1 D17 0 > C 9 R18 4 A18 17 D18 0 > N 10 R19 5 A19 1 D19 0 > C 10 R20 5 A20 19 D20 0 > C 11 R21 5 A21 1 D21 0 > C 11 R22 5 A22 21 D22 0 > H 7 R23 3 A23 15 D23 0 > C 13 R24 6 A24 2 D24 0 > C 14 R25 6 A25 2 D25 0 > C 14 R26 6 A26 25 D26 0 > C 15 R27 7 A27 3 D27 0 > C 16 R28 7 A28 3 D28 0 > C 17 R29 9 A29 4 D29 0 > C 18 R30 9 A30 4 D30 0 > C 12 R31 8 A31 4 D31 0 > C 20 R32 10 A32 5 D32 0 > C 20 R33 10 A33 32 D33 0 > C 21 R34 11 A34 5 D34 0 > C 22 R35 11 A35 5 D35 0 > C 19 R36 10 A36 5 D36 0 > H 13 R37 6 A37 24 D37 0 > H 15 R38 7 A38 27 D38 0 > H 17 R39 9 A39 29 D39 0 > H 21 R40 11 A40 34 D40 0 > N 26 R41 14 A41 6 D41 0 > N 26 R42 14 A42 41 D42 0 > C 24 R43 13 A43 6 D43 0 > C 27 R44 15 A44 7 D44 0 > C 29 R45 17 A45 9 D45 0 > C 31 R46 12 A46 8 D46 0 > O 32 R47 20 A47 10 D47 0 > C 32 R48 20 A48 47 D48 0 > C 33 R49 20 A49 10 D49 0 > C 34 R50 21 A50 11 D50 0 > C 36 R51 19 A51 10 D51 0 > H 24 R52 13 A52 43 D52 0 > H 25 R53 14 A53 6 D53 0 > H 27 R54 15 A54 44 D54 0 > H 28 R55 16 A55 7 D55 0 > H 29 R56 17 A56 45 D56 0 > H 30 R57 18 A57 9 D57 0 > H 31 R58 12 A58 46 D58 0 > H 31 R59 12 A59 46 D59 0 > H 33 R60 20 A60 49 D60 0 > H 34 R61 21 A61 50 D61 0 > H 35 R62 22 A62 11 D62 0 > H 36 R63 19 A63 51 D63 0 > H 36 R64 19 A64 51 D64 0 > C 41 R65 26 A65 14 D65 0 > C 42 R66 26 A66 14 D66 0 > C 42 R67 26 A67 66 D67 0 > C 46 R68 31 A68 12 D68 0 > Zn 41 R69 26 A69 65 D69 0 > C 48 R70 32 A70 20 D70 0 > C 51 R71 36 A71 19 D71 0 > H 43 R72 24 A72 13 D72 0 > H 44 R73 27 A73 15 D73 0 > H 45 R74 29 A74 17 D74 0 > H 46 R75 31 A75 68 D75 0 > H 46 R76 31 A76 68 D76 0 > H 48 R77 32 A77 70 D77 0 > H 49 R78 33 A78 20 D78 0 > H 50 R79 34 A79 21 D79 0 > H 51 R80 36 A80 71 D80 0 > H 51 R81 36 A81 71 D81 0 > H 62 R82 35 A82 22 D82 0 > C 65 R83 41 A83 26 D83 0 > C 66 R84 42 A84 26 D84 0 > C 67 R85 42 A85 26 D85 0 > C 68 R86 46 A86 31 D86 0 > O 69 R87 41 A87 26 D87 0 > N 69 R88 41 A88 87 D88 0 > C 71 R89 51 A89 36 D89 0 > H 67 R90 42 A90 85 D90 0 > H 67 R91 42 A91 85 D91 0 > H 68 R92 46 A92 86 D92 0 > H 68 R93 46 A93 86 D93 0 > H 70 R94 48 A94 32 D94 0 > H 71 R95 51 A95 89 D95 0 > H 71 R96 51 A96 89 D96 0 > C 83 R97 65 A97 41 D97 0 > C 84 R98 66 A98 42 D98 0 > C 85 R99 67 A99 42 D99 0 > C 87 R100 69 A100 41 D100 0 > C 88 R101 69 A101 41 D101 0 > C 88 R102 69 A102 101 D102 0 > H 83 R103 65 A103 97 D103 0 > H 84 R104 66 A104 98 D104 0 > H 85 R105 67 A105 99 D105 0 > H 85 R106 67 A106 99 D106 0 > H 86 R107 68 A107 46 D107 0 > H 86 R108 68 A108 107 D108 0 > H 86 R109 68 A109 107 D109 0 > H 89 R110 71 A110 51 D110 0 > H 89 R111 71 A111 110 D111 0 > H 89 R112 71 A112 110 D112 0 > C 99 R113 85 A113 67 D113 0 > C 100 R114 87 A114 69 D114 0 > C 101 R115 88 A115 69 D115 0 > C 101 R116 88 A116 115 D116 0 > C 102 R117 88 A117 69 D117 0 > N 102 R118 88 A118 117 D118 0 > C 100 R119 87 A119 114 D119 0 > H 97 R120 83 A120 65 D120 0 > H 98 R121 84 A121 66 D121 0 > H 99 R122 85 A122 113 D122 0 > H 99 R123 85 A123 113 D123 0 > C 114 R124 100 A124 87 D124 0 > C 119 R125 100 A125 87 D125 0 > C 115 R126 101 A126 88 D126 0 > C 116 R127 101 A127 88 D127 0 > C 117 R128 102 A128 88 D128 0 > C 117 R129 102 A129 128 D129 0 > C 119 R130 100 A130 125 D130 0 > C 118 R131 102 A131 88 D131 0 > H 113 R132 99 A132 85 D132 0 > H 113 R133 99 A133 132 D133 0 > H 113 R134 99 A134 132 D134 0 > H 114 R135 100 A135 124 D135 0 > H 115 R136 101 A136 126 D136 0 > C 124 R137 114 A137 100 D137 0 > C 126 R138 115 A138 101 D138 0 > O 128 R139 117 A139 102 D139 0 > N 130 R140 119 A140 100 D140 0 > N 130 R141 119 A141 140 D141 0 > C 128 R142 117 A142 139 D142 0 > C 129 R143 117 A143 102 D143 0 > C 131 R144 118 A144 102 D144 0 > H 124 R145 114 A145 137 D145 0 > H 125 R146 119 A146 100 D146 0 > H 126 R147 115 A147 138 D147 0 > H 127 R148 116 A148 101 D148 0 > H 129 R149 117 A149 143 D149 0 > H 131 R150 118 A150 144 D150 0 > H 131 R151 118 A151 144 D151 0 > Zn 139 R152 128 A152 117 D152 0 > C 142 R153 128 A153 117 D153 0 > C 140 R154 130 A154 119 D154 0 > C 141 R155 130 A155 119 D155 0 > C 141 R156 130 A156 155 D156 0 > C 144 R157 131 A157 118 D157 0 > H 137 R158 124 A158 114 D158 0 > H 138 R159 126 A159 115 D159 0 > H 142 R160 128 A160 153 D160 0 > H 143 R161 129 A161 117 D161 0 > H 144 R162 131 A162 157 D162 0 > H 144 R163 131 A163 157 D163 0 > O 152 R164 139 A164 128 D164 0 > C 154 R165 140 A165 130 D165 0 > C 155 R166 141 A166 130 D166 0 > C 156 R167 141 A167 130 D167 0 > N 152 R168 139 A168 164 D168 0 > C 157 R169 144 A169 131 D169 0 > H 153 R170 142 A170 128 D170 0 > H 156 R171 141 A171 167 D171 0 > H 156 R172 141 A172 167 D172 0 > H 157 R173 144 A173 169 D173 0 > H 157 R174 144 A174 169 D174 0 > C 164 R175 152 A175 139 D175 0 > C 165 R176 154 A176 140 D176 0 > C 166 R177 155 A177 141 D177 0 > C 167 R178 156 A178 141 D178 0 > C 168 R179 152 A179 139 D179 0 > C 168 R180 152 A180 179 D180 0 > H 165 R181 154 A181 176 D181 0 > H 166 R182 155 A182 177 D182 0 > H 167 R183 156 A183 178 D183 0 > H 167 R184 156 A184 178 D184 0 > H 169 R185 157 A185 144 D185 0 > H 169 R186 157 A186 185 D186 0 > H 169 R187 157 A187 185 D187 0 > C 175 R188 164 A188 152 D188 0 > C 175 R189 164 A189 188 D189 0 > C 178 R190 167 A190 156 D190 0 > N 179 R191 168 A191 152 D191 0 > C 179 R192 168 A192 191 D192 0 > C 180 R193 168 A193 152 D193 0 > C 180 R194 168 A194 193 D194 0 > H 176 R195 165 A195 154 D195 0 > H 177 R196 166 A196 155 D196 0 > H 178 R197 167 A197 190 D197 0 > H 178 R198 167 A198 190 D198 0 > C 188 R199 175 A199 164 D199 0 > C 189 R200 175 A200 164 D200 0 > C 189 R201 175 A201 200 D201 0 > C 192 R202 179 A202 168 D202 0 > C 192 R203 179 A203 202 D203 0 > C 193 R204 180 A204 168 D204 0 > C 194 R205 180 A205 168 D205 0 > C 191 R206 179 A206 168 D206 0 > H 188 R207 175 A207 199 D207 0 > H 190 R208 178 A208 167 D208 0 > H 190 R209 178 A209 208 D209 0 > H 190 R210 178 A210 208 D210 0 > H 193 R211 180 A211 204 D211 0 > N 201 R212 189 A212 175 D212 0 > N 201 R213 189 A213 212 D213 0 > C 199 R214 188 A214 175 D214 0 > O 202 R215 192 A215 179 D215 0 > C 202 R216 192 A216 215 D216 0 > C 203 R217 192 A217 179 D217 0 > C 204 R218 193 A218 180 D218 0 > C 206 R219 191 A219 179 D219 0 > H 199 R220 188 A220 214 D220 0 > H 200 R221 189 A221 175 D221 0 > H 203 R222 192 A222 217 D222 0 > H 204 R223 193 A223 218 D223 0 > H 205 R224 194 A224 180 D224 0 > H 206 R225 191 A225 219 D225 0 > H 206 R226 191 A226 219 D226 0 > C 212 R227 201 A227 189 D227 0 > C 213 R228 201 A228 189 D228 0 > C 213 R229 201 A229 228 D229 0 > Zn 212 R230 201 A230 227 D230 0 > C 216 R231 202 A231 192 D231 0 > C 219 R232 206 A232 191 D232 0 > H 214 R233 199 A233 188 D233 0 > H 216 R234 202 A234 231 D234 0 > H 217 R235 203 A235 192 D235 0 > H 218 R236 204 A236 193 D236 0 > H 219 R237 206 A237 232 D237 0 > H 219 R238 206 A238 232 D238 0 > C 227 R239 212 A239 201 D239 0 > C 228 R240 213 A240 201 D240 0 > C 229 R241 213 A241 201 D241 0 > O 230 R242 212 A242 201 D242 0 > N 230 R243 212 A243 242 D243 0 > C 232 R244 219 A244 206 D244 0 > H 229 R245 213 A245 241 D245 0 > H 229 R246 213 A246 241 D246 0 > H 231 R247 216 A247 202 D247 0 > H 232 R248 219 A248 244 D248 0 > H 232 R249 219 A249 244 D249 0 > H 237 R250 219 A250 206 D250 0 > C 239 R251 227 A251 212 D251 0 > C 240 R252 228 A252 213 D252 0 > C 241 R253 229 A253 213 D253 0 > C 242 R254 230 A254 212 D254 0 > C 243 R255 230 A255 212 D255 0 > C 243 R256 230 A256 255 D256 0 > H 239 R257 227 A257 251 D257 0 > H 240 R258 228 A258 252 D258 0 > H 241 R259 229 A259 253 D259 0 > H 241 R260 229 A260 253 D260 0 > H 244 R261 232 A261 219 D261 0 > H 244 R262 232 A262 261 D262 0 > H 244 R263 232 A263 261 D263 0 > C 253 R264 241 A264 229 D264 0 > C 254 R265 242 A265 230 D265 0 > C 255 R266 243 A266 230 D266 0 > C 255 R267 243 A267 266 D267 0 > C 256 R268 243 A268 230 D268 0 > N 256 R269 243 A269 268 D269 0 > C 254 R270 242 A270 265 D270 0 > H 251 R271 239 A271 227 D271 0 > H 252 R272 240 A272 228 D272 0 > H 253 R273 241 A273 264 D273 0 > H 253 R274 241 A274 264 D274 0 > C 265 R275 254 A275 242 D275 0 > C 270 R276 254 A276 242 D276 0 > C 266 R277 255 A277 243 D277 0 > C 267 R278 255 A278 243 D278 0 > C 268 R279 256 A279 243 D279 0 > C 268 R280 256 A280 279 D280 0 > C 270 R281 254 A281 276 D281 0 > C 269 R282 256 A282 243 D282 0 > H 264 R283 253 A283 241 D283 0 > H 264 R284 253 A284 283 D284 0 > H 264 R285 253 A285 283 D285 0 > H 265 R286 254 A286 275 D286 0 > H 266 R287 255 A287 277 D287 0 > C 275 R288 265 A288 254 D288 0 > C 277 R289 266 A289 255 D289 0 > O 279 R290 268 A290 256 D290 0 > N 281 R291 270 A291 254 D291 0 > N 281 R292 270 A292 291 D292 0 > C 279 R293 268 A293 290 D293 0 > C 280 R294 268 A294 256 D294 0 > C 282 R295 269 A295 256 D295 0 > H 275 R296 265 A296 288 D296 0 > H 276 R297 270 A297 254 D297 0 > H 277 R298 266 A298 289 D298 0 > H 278 R299 267 A299 255 D299 0 > H 280 R300 268 A300 294 D300 0 > H 282 R301 269 A301 295 D301 0 > H 282 R302 269 A302 295 D302 0 > Zn 290 R303 279 A303 268 D303 0 > C 293 R304 279 A304 268 D304 0 > C 291 R305 281 A305 270 D305 0 > C 292 R306 281 A306 270 D306 0 > C 292 R307 281 A307 306 D307 0 > C 295 R308 282 A308 269 D308 0 > H 288 R309 275 A309 265 D309 0 > H 289 R310 277 A310 266 D310 0 > H 293 R311 279 A311 304 D311 0 > H 294 R312 280 A312 268 D312 0 > H 295 R313 282 A313 308 D313 0 > H 295 R314 282 A314 308 D314 0 > O 303 R315 290 A315 279 D315 0 > C 305 R316 291 A316 281 D316 0 > C 306 R317 292 A317 281 D317 0 > C 307 R318 292 A318 281 D318 0 > N 303 R319 290 A319 315 D319 0 > C 308 R320 295 A320 282 D320 0 > H 304 R321 293 A321 279 D321 0 > H 307 R322 292 A322 318 D322 0 > H 307 R323 292 A323 318 D323 0 > H 308 R324 295 A324 320 D324 0 > H 308 R325 295 A325 320 D325 0 > C 315 R326 303 A326 290 D326 0 > C 316 R327 305 A327 291 D327 0 > C 317 R328 306 A328 292 D328 0 > C 318 R329 307 A329 292 D329 0 > C 319 R330 303 A330 290 D330 0 > C 319 R331 303 A331 330 D331 0 > H 316 R332 305 A332 327 D332 0 > H 317 R333 306 A333 328 D333 0 > H 318 R334 307 A334 329 D334 0 > H 318 R335 307 A335 329 D335 0 > H 320 R336 308 A336 295 D336 0 > H 320 R337 308 A337 336 D337 0 > H 320 R338 308 A338 336 D338 0 > H 315 R339 303 A339 326 D339 0 > C 326 R340 315 A340 303 D340 0 > C 326 R341 315 A341 340 D341 0 > C 329 R342 318 A342 307 D342 0 > N 330 R343 319 A343 303 D343 0 > C 331 R344 319 A344 303 D344 0 > C 331 R345 319 A345 344 D345 0 > H 327 R346 316 A346 305 D346 0 > H 328 R347 317 A347 306 D347 0 > H 329 R348 318 A348 342 D348 0 > H 329 R349 318 A349 342 D349 0 > C 340 R350 326 A350 315 D350 0 > C 341 R351 326 A351 315 D351 0 > C 344 R352 331 A352 319 D352 0 > C 345 R353 331 A353 319 D353 0 > C 343 R354 330 A354 319 D354 0 > H 340 R355 326 A355 350 D355 0 > H 342 R356 329 A356 318 D356 0 > H 342 R357 329 A357 356 D357 0 > H 342 R358 329 A358 356 D358 0 > H 344 R359 331 A359 352 D359 0 > C 350 R360 340 A360 326 D360 0 > C 352 R361 344 A361 331 D361 0 > C 354 R362 343 A362 330 D362 0 > H 350 R363 340 A363 360 D363 0 > H 351 R364 341 A364 326 D364 0 > H 352 R365 344 A365 361 D365 0 > H 353 R366 345 A366 331 D366 0 > H 354 R367 343 A367 362 D367 0 > H 354 R368 343 A368 362 D368 0 > C 362 R369 354 A369 343 D369 0 > H 360 R370 350 A370 340 D370 0 > H 361 R371 352 A371 344 D371 0 > H 362 R372 354 A372 369 D372 0 > H 362 R373 354 A373 369 D373 0 > C 369 R374 362 A374 354 D374 0 > H 369 R375 362 A375 374 D375 0 > H 369 R376 362 A376 374 D376 0 > H 374 R377 369 A377 362 D377 0 > H 374 R378 369 A378 377 D378 0 > H 374 R379 369 A379 377 D379 0 > Variables: > R2 1.95313 > R3 1.9501 > R4 2.01509 > R5 2.01339 > R6 1.31672 > R7 1.31509 > R8 1.33483 > R9 1.3954 > R10 1.33357 > R11 1.39835 > R12 1.35765 > R13 1.41688 > R14 1.41438 > R15 1.40624 > R16 1.41689 > R17 1.39422 > R18 1.38664 > R19 1.3637 > R20 1.47355 > R21 1.39411 > R22 1.39485 > R23 2.51178 > R24 1.37638 > R25 1.39819 > R26 1.47402 > R27 1.38088 > R28 1.38968 > R29 1.37727 > R30 1.39241 > R31 1.46712 > R32 1.41467 > R33 1.39845 > R34 1.3714 > R35 1.38622 > R36 1.4635 > R37 0.92902 > R38 0.93001 > R39 0.93006 > R40 0.92993 > R41 1.33239 > R42 1.36486 > R43 1.37486 > R44 1.38253 > R45 1.39886 > R46 1.51164 > R47 1.31777 > R48 1.41688 > R49 1.37602 > R50 1.39795 > R51 1.51542 > R52 0.92913 > R53 0.92991 > R54 0.92966 > R55 0.93032 > R56 0.93086 > R57 0.93016 > R58 0.97003 > R59 0.96935 > R60 0.92991 > R61 0.93102 > R62 0.92935 > R63 0.96977 > R64 0.96941 > R65 1.39765 > R66 1.39316 > R67 1.46326 > R68 1.52984 > R69 2.01339 > R70 1.37558 > R71 1.4802 > R72 0.93093 > R73 0.93026 > R74 0.93005 > R75 0.97056 > R76 0.97031 > R77 0.92975 > R78 0.93067 > R79 0.93011 > R80 0.97113 > R81 0.9692 > R82 25.31584 > R83 1.39411 > R84 1.38489 > R85 1.51579 > R86 1.51142 > R87 1.95025 > R88 2.01592 > R89 1.52266 > R90 0.96918 > R91 0.96937 > R92 0.96975 > R93 0.96999 > R94 0.92986 > R95 0.96944 > R96 0.9696 > R97 1.3708 > R98 1.37547 > R99 1.48134 > R100 1.31509 > R101 1.39582 > R102 1.33457 > R103 0.93068 > R104 0.93077 > R105 0.96979 > R106 0.97082 > R107 0.96001 > R108 0.96001 > R109 0.96047 > R110 0.96024 > R111 0.95976 > R112 0.96083 > R113 1.52106 > R114 1.40411 > R115 1.39418 > R116 1.38745 > R117 1.47264 > R118 1.35931 > R119 1.41678 > R120 0.93113 > R121 0.93061 > R122 0.97 > R123 0.96865 > R124 1.38121 > R125 1.38877 > R126 1.37727 > R127 1.39386 > R128 1.41604 > R129 1.38986 > R130 1.47235 > R131 1.46577 > R132 0.95994 > R133 0.96037 > R134 0.9599 > R135 0.93075 > R136 0.93092 > R137 1.3822 > R138 1.39835 > R139 1.31544 > R140 1.33361 > R141 1.35892 > R142 1.40594 > R143 1.38184 > R144 1.5119 > R145 0.92967 > R146 0.92946 > R147 0.93086 > R148 0.92965 > R149 0.92989 > R150 0.97003 > R151 0.9695 > R152 1.9501 > R153 1.3807 > R154 1.39567 > R155 1.39521 > R156 1.46537 > R157 1.5301 > R158 0.93064 > R159 0.93053 > R160 0.93052 > R161 0.92988 > R162 0.96965 > R163 0.97071 > R164 1.95313 > R165 1.39471 > R166 1.39212 > R167 1.51164 > R168 2.01341 > R169 1.5115 > R170 0.92931 > R171 0.9701 > R172 0.97 > R173 0.97022 > R174 0.9703 > R175 1.31568 > R176 1.37727 > R177 1.37266 > R178 1.53123 > R179 1.33151 > R180 1.39797 > R181 0.93171 > R182 0.93158 > R183 0.96923 > R184 0.97031 > R185 0.96001 > R186 0.96049 > R187 0.95956 > R188 1.41686 > R189 1.41534 > R190 1.51037 > R191 1.36475 > R192 1.47401 > R193 1.39467 > R194 1.3956 > R195 0.92949 > R196 0.93091 > R197 0.97022 > R198 0.96949 > R199 1.37558 > R200 1.39819 > R201 1.47402 > R202 1.41467 > R203 1.39898 > R204 1.36988 > R205 1.38577 > R206 1.46197 > R207 0.93094 > R208 0.96001 > R209 0.96081 > R210 0.95959 > R211 0.92997 > R212 1.33151 > R213 1.36446 > R214 1.37494 > R215 1.31642 > R216 1.41662 > R217 1.37561 > R218 1.39935 > R219 1.51473 > R220 0.93051 > R221 0.92991 > R222 0.92991 > R223 0.92893 > R224 0.93007 > R225 0.97136 > R226 0.96964 > R227 1.39755 > R228 1.39316 > R229 1.46217 > R230 2.01369 > R231 1.37559 > R232 1.48071 > R233 0.92905 > R234 0.93038 > R235 0.9304 > R236 0.92988 > R237 0.97046 > R238 0.97001 > R239 1.39474 > R240 1.3855 > R241 1.51579 > R242 1.94956 > R243 2.01592 > R244 1.52156 > R245 0.97078 > R246 0.96894 > R247 0.92955 > R248 0.97021 > R249 0.96998 > R250 18.45908 > R251 1.3702 > R252 1.37547 > R253 1.4821 > R254 1.31417 > R255 1.39609 > R256 1.33388 > R257 0.93066 > R258 0.93077 > R259 0.96912 > R260 0.97007 > R261 0.95978 > R262 0.96053 > R263 0.96083 > R264 1.52106 > R265 1.4054 > R266 1.39418 > R267 1.38796 > R268 1.47235 > R269 1.35907 > R270 1.41689 > R271 0.92997 > R272 0.9305 > R273 0.97081 > R274 0.96942 > R275 1.38199 > R276 1.38839 > R277 1.37727 > R278 1.39333 > R279 1.41741 > R280 1.38949 > R281 1.47264 > R282 1.46625 > R283 0.96107 > R284 0.96035 > R285 0.9591 > R286 0.92989 > R287 0.93014 > R288 1.38305 > R289 1.39914 > R290 1.31509 > R291 1.33361 > R292 1.35833 > R293 1.40624 > R294 1.38244 > R295 1.51197 > R296 0.93025 > R297 0.93074 > R298 0.93001 > R299 0.93044 > R300 0.9304 > R301 0.96916 > R302 0.97056 > R303 1.9501 > R304 1.38088 > R305 1.39524 > R306 1.39533 > R307 1.46625 > R308 1.53123 > R309 0.92988 > R310 0.93043 > R311 0.93138 > R312 0.93026 > R313 0.9693 > R314 0.96985 > R315 1.9534 > R316 1.39471 > R317 1.39343 > R318 1.51164 > R319 2.01369 > R320 1.51037 > R321 0.93012 > R322 0.97003 > R323 0.96935 > R324 0.97022 > R325 0.96899 > R326 1.31777 > R327 1.37727 > R328 1.37445 > R329 1.5301 > R330 1.33239 > R331 1.39793 > R332 0.92964 > R333 0.92915 > R334 0.96958 > R335 0.97191 > R336 0.9602 > R337 0.96022 > R338 0.95918 > R339 2.86947 > R340 1.41649 > R341 1.41438 > R342 1.51044 > R343 1.36456 > R344 1.39474 > R345 1.39485 > R346 0.92946 > R347 0.92908 > R348 0.97022 > R349 0.96949 > R350 1.37584 > R351 1.39871 > R352 1.37 > R353 1.38709 > R354 1.4635 > R355 0.92998 > R356 0.96104 > R357 0.96001 > R358 0.96044 > R359 0.93068 > R360 1.37581 > R361 1.39865 > R362 1.51579 > R363 0.92913 > R364 0.92896 > R365 0.93021 > R366 0.93007 > R367 0.97129 > R368 0.96964 > R369 1.48148 > R370 0.93039 > R371 0.92999 > R372 0.97046 > R373 0.97001 > R374 1.52193 > R375 0.96941 > R376 0.9702 > R377 0.96024 > R378 0.95897 > R379 0.96064 > A3 111.38578 > A4 109.47261 > A5 102.79345 > A6 120.85582 > A7 121.52231 > A8 123.2937 > A9 125.67211 > A10 122.49189 > A11 126.57003 > A12 111.67163 > A13 122.61169 > A14 120.98942 > A15 123.40723 > A16 120.19002 > A17 130.06841 > A18 109.21858 > A19 111.62665 > A20 122.71865 > A21 130.25025 > A22 108.77594 > A23 89.96997 > A24 121.72237 > A25 120.36411 > A26 121.69858 > A27 121.74676 > A28 120.90856 > A29 116.97233 > A30 122.65481 > A31 128.03071 > A32 121.68304 > A33 117.85918 > A34 116.89842 > A35 121.90893 > A36 125.73434 > A37 119.18437 > A38 119.06197 > A39 121.56351 > A40 121.58213 > A41 122.78108 > A42 125.45002 > A43 121.08045 > A44 121.11327 > A45 121.59177 > A46 112.55422 > A47 120.9355 > A48 116.40846 > A49 121.45912 > A50 121.85432 > A51 111.99499 > A52 119.42692 > A53 119.29742 > A54 119.42665 > A55 119.26748 > A56 119.22291 > A57 122.08937 > A58 109.11929 > A59 109.07886 > A60 119.27823 > A61 119.02775 > A62 121.73678 > A63 109.11786 > A64 109.16185 > A65 106.27286 > A66 107.24334 > A67 125.71346 > A68 111.46106 > A69 122.46025 > A70 121.70583 > A71 114.48865 > A72 120.53145 > A73 120.79023 > A74 118.92956 > A75 109.32565 > A76 109.29144 > A77 119.09668 > A78 120.46898 > A79 119.10767 > A80 108.6222 > A81 108.69488 > A82 131.94562 > A83 130.27077 > A84 132.03139 > A85 111.9989 > A86 113.05698 > A87 110.07556 > A88 120.52818 > A89 113.32538 > A90 109.19854 > A91 109.16396 > A92 109.03573 > A93 108.98501 > A94 119.44192 > A95 108.94021 > A96 108.90251 > A97 116.88493 > A98 116.66941 > A99 114.4825 > A100 121.55114 > A101 125.63617 > A102 123.25245 > A103 121.57282 > A104 121.69793 > A105 108.67461 > A106 108.57949 > A107 109.43069 > A108 109.49867 > A109 109.45367 > A110 109.41777 > A111 109.44329 > A112 109.42992 > A113 113.27851 > A114 123.39251 > A115 130.10668 > A116 109.09574 > A117 123.21812 > A118 111.66979 > A119 120.14983 > A120 119.06691 > A121 119.12665 > A122 108.78336 > A123 108.93781 > A124 121.80229 > A125 120.88558 > A126 116.99541 > A127 122.47314 > A128 120.73056 > A129 118.17318 > A130 120.75846 > A131 128.04677 > A132 109.42519 > A133 109.42523 > A134 109.60971 > A135 119.20052 > A136 121.47495 > A137 121.04164 > A138 121.58126 > A139 120.2271 > A140 123.23736 > A141 125.03233 > A142 116.37871 > A143 121.29731 > A144 112.53221 > A145 119.60062 > A146 119.41703 > A147 119.22291 > A148 122.00264 > A149 119.35369 > A150 109.12574 > A151 109.1121 > A152 121.54916 > A153 121.783 > A154 105.96124 > A155 107.22538 > A156 128.12849 > A157 111.43257 > A158 120.83624 > A159 118.93837 > A160 119.04961 > A161 120.75937 > A162 109.42523 > A163 109.32183 > A164 111.38578 > A165 130.13469 > A166 131.48461 > A167 112.58875 > A168 110.02632 > A169 113.12562 > A170 119.47234 > A171 109.0828 > A172 109.08982 > A173 108.9884 > A174 108.94686 > A175 120.79792 > A176 117.00237 > A177 116.06731 > A178 111.38578 > A179 122.45673 > A180 126.58842 > A181 121.50132 > A182 121.99412 > A183 109.26783 > A184 109.29144 > A185 109.46333 > A186 109.38879 > A187 109.47792 > A188 122.77098 > A189 120.92094 > A190 113.04731 > A191 111.68635 > A192 122.83595 > A193 130.29374 > A194 108.75475 > A195 119.20509 > A196 118.90197 > A197 108.88686 > A198 108.98104 > A199 121.79618 > A200 120.36605 > A201 121.69752 > A202 121.74612 > A203 117.75858 > A204 116.97879 > A205 121.85574 > A206 125.84154 > A207 119.08311 > A208 109.4033 > A209 109.51061 > A210 109.4759 > A211 121.52432 > A212 122.7811 > A213 125.42475 > A214 121.1336 > A215 120.91713 > A216 116.34036 > A217 121.46226 > A218 121.83129 > A219 112.05634 > A220 119.30366 > A221 119.29742 > A222 119.31115 > A223 119.1673 > A224 121.64401 > A225 109.13513 > A226 109.20637 > A227 106.33293 > A228 107.21994 > A229 125.77775 > A230 122.49369 > A231 121.80647 > A232 114.52268 > A233 120.49376 > A234 119.04882 > A235 120.62641 > A236 119.25767 > A237 108.68827 > A238 108.60918 > A239 130.38429 > A240 132.04516 > A241 111.98924 > A242 110.10189 > A243 120.53658 > A244 113.36436 > A245 109.23682 > A246 109.22001 > A247 119.38695 > A248 108.91658 > A249 108.8474 > A250 116.80203 > A251 116.92263 > A252 116.68271 > A253 114.45986 > A254 121.57364 > A255 125.60753 > A256 123.29333 > A257 121.45774 > A258 121.6846 > A259 108.71789 > A260 108.58093 > A261 109.53069 > A262 109.48113 > A263 109.4127 > A264 113.25803 > A265 123.36756 > A266 130.14391 > A267 109.06989 > A268 123.21518 > A269 111.72815 > A270 120.20768 > A271 119.06861 > A272 119.07224 > A273 108.83765 > A274 108.95262 > A275 121.73054 > A276 120.89423 > A277 116.99541 > A278 122.51013 > A279 120.71929 > A280 118.22215 > A281 120.73512 > A282 128.09081 > A283 109.44796 > A284 109.48406 > A285 109.55654 > A286 119.20681 > A287 121.44162 > A288 121.1019 > A289 121.55917 > A290 120.187 > A291 123.21768 > A292 125.05497 > A293 116.40262 > A294 121.29463 > A295 112.52813 > A296 119.47525 > A297 119.31616 > A298 119.24873 > A299 121.9963 > A300 119.3087 > A301 109.10125 > A302 109.03226 > A303 121.52231 > A304 121.74676 > A305 105.97773 > A306 107.25135 > A307 128.11229 > A308 111.33695 > A309 120.73998 > A310 118.97446 > A311 119.06818 > A312 120.67059 > A313 109.36751 > A314 109.32634 > A315 111.39965 > A316 130.15172 > A317 131.46061 > A318 112.57147 > A319 110.06575 > A320 113.04731 > A321 119.38282 > A322 109.11663 > A323 109.06363 > A324 108.88686 > A325 109.02304 > A326 120.7745 > A327 117.00237 > A328 115.96595 > A329 111.44693 > A330 122.4847 > A331 126.50277 > A332 121.45094 > A333 122.04224 > A334 109.33006 > A335 109.38321 > A336 109.46153 > A337 109.47477 > A338 109.55661 > A339 163.2481 > A340 122.68369 > A341 120.95278 > A342 113.09826 > A343 111.59175 > A344 130.35673 > A345 108.72066 > A346 119.24009 > A347 118.88181 > A348 108.937 > A349 108.91192 > A350 121.79112 > A351 120.39682 > A352 116.94975 > A353 121.88624 > A354 125.73723 > A355 119.14329 > A356 109.48119 > A357 109.49912 > A358 109.4439 > A359 121.52161 > A360 121.04994 > A361 121.87489 > A362 111.9794 > A363 119.45982 > A364 119.32644 > A365 119.05048 > A366 121.68104 > A367 109.11907 > A368 109.20487 > A369 114.46626 > A370 120.48491 > A371 119.18269 > A372 108.71419 > A373 108.61868 > A374 113.27514 > A375 108.90789 > A376 108.88943 > A377 109.38224 > A378 109.49055 > A379 109.41549 > D4 -112.92455 > D5 117.80348 > D6 -63.76603 > D7 -60.2727 > D8 161.80278 > D9 -151.0349 > D10 39.77347 > D11 -152.22306 > D12 -155.5088 > D13 17.43311 > D14 -178.91308 > D15 14.00967 > D16 -179.29108 > D17 -24.01145 > D18 178.46371 > D19 -157.28542 > D20 -175.86489 > D21 -24.94068 > D22 -179.5215 > D23 -177.63327 > D24 -176.94459 > D25 176.96884 > D26 -175.79175 > D27 -178.02021 > D28 178.52818 > D29 177.26445 > D30 -177.66056 > D31 -173.35634 > D32 -128.0914 > D33 175.82569 > D34 -179.97373 > D35 -179.60383 > D36 -168.69617 > D37 179.89772 > D38 -179.98661 > D39 -179.96062 > D40 -179.927 > D41 128.1186 > D42 175.29904 > D43 -0.99461 > D44 -1.53985 > D45 0.78607 > D46 99.15458 > D47 -1.22842 > D48 179.03837 > D49 -176.99392 > D50 -0.04751 > D51 73.84225 > D52 179.9305 > D53 -179.01053 > D54 179.91225 > D55 -179.5601 > D56 179.99856 > D57 179.56063 > D58 121.20493 > D59 -121.21017 > D60 -179.92021 > D61 179.92072 > D62 179.54116 > D63 -121.1142 > D64 121.11684 > D65 176.13291 > D66 -176.41233 > D67 169.34772 > D68 166.73486 > D69 157.04368 > D70 -2.0757 > D71 -174.87781 > D72 179.87738 > D73 -178.88868 > D74 179.66237 > D75 121.05403 > D76 -120.95445 > D77 -179.92328 > D78 -179.99854 > D79 -179.73022 > D80 121.51776 > D81 -121.7834 > D82 -26.85034 > D83 -179.21484 > D84 -179.5602 > D85 -73.80018 > D86 -72.59289 > D87 -158.52461 > D88 -119.20751 > D89 169.98533 > D90 121.10612 > D91 -121.08011 > D92 -121.31165 > D93 121.22391 > D94 -178.96732 > D95 -121.37089 > D96 121.3197 > D97 179.91204 > D98 -179.07774 > D99 175.06117 > D100 173.6039 > D101 -129.59964 > D102 -150.93368 > D103 -179.95299 > D104 179.94809 > D105 -121.69953 > D106 121.5044 > D107 179.99513 > D108 119.94659 > D109 -120.01399 > D110 179.93497 > D111 -120.02184 > D112 120.0213 > D113 -169.99024 > D114 -13.98539 > D115 24.15045 > D116 -178.58921 > D117 -25.11003 > D118 -179.39958 > D119 179.26164 > D120 -179.83885 > D121 -179.91155 > D122 121.28159 > D123 -121.54113 > D124 178.00448 > D125 -178.52661 > D126 -177.34503 > D127 177.76331 > D128 121.30003 > D129 -175.38097 > D130 175.19645 > D131 173.3365 > D132 -179.98529 > D133 119.86 > D134 -120.10922 > D135 179.93109 > D136 179.89726 > D137 1.59237 > D138 -0.78463 > D139 3.34216 > D140 -121.30794 > D141 -179.28126 > D142 -179.42724 > D143 175.82542 > D144 -99.12522 > D145 179.98193 > D146 179.44732 > D147 179.96187 > D148 -179.48616 > D149 -179.93337 > D150 -121.23812 > D151 121.08323 > D152 -165.30039 > D153 1.40031 > D154 -179.03205 > D155 179.50764 > D156 -173.44362 > D157 -166.69864 > D158 178.91338 > D159 -179.60672 > D160 179.86954 > D161 179.37013 > D162 -121.11093 > D163 120.87938 > D164 -60.30861 > D165 -179.06297 > D166 177.79259 > D167 99.1227 > D168 -113.31102 > D169 72.52437 > D170 178.38884 > D171 121.27686 > D172 -121.22917 > D173 121.38911 > D174 -121.27024 > D175 -63.7115 > D176 177.23961 > D177 -178.45672 > D178 166.75613 > D179 158.56224 > D180 -152.35595 > D181 -179.97904 > D182 179.80801 > D183 120.93546 > D184 -120.9598 > D185 -179.99755 > D186 -119.96718 > D187 120.09765 > D188 17.37772 > D189 -178.85593 > D190 -72.65065 > D191 -157.34089 > D192 -175.88599 > D193 -24.79786 > D194 -179.67026 > D195 -179.2486 > D196 -179.80254 > D197 -121.26552 > D198 121.35431 > D199 -176.8869 > D200 176.93829 > D201 -175.80627 > D202 -128.02775 > D203 175.75181 > D204 179.9259 > D205 -179.64647 > D206 -168.64718 > D207 179.9178 > D208 -179.92353 > D209 119.98149 > D210 -119.994 > D211 -179.98725 > D212 128.10908 > D213 175.28727 > D214 -1.03574 > D215 -1.30143 > D216 178.97892 > D217 -176.92298 > D218 -0.00547 > D219 73.7435 > D220 179.95503 > D221 -179.02445 > D222 -179.9204 > D223 179.81947 > D224 179.5663 > D225 -121.10023 > D226 121.23182 > D227 176.06917 > D228 -176.40118 > D229 169.37526 > D230 157.14565 > D231 -1.93502 > D232 -174.88388 > D233 179.90728 > D234 179.82331 > D235 -179.91224 > D236 -179.69642 > D237 121.5926 > D238 -121.67038 > D239 -179.24322 > D240 -179.48796 > D241 -73.81769 > D242 -158.56712 > D243 -119.2089 > D244 170.03099 > D245 121.11861 > D246 -121.17829 > D247 -179.02439 > D248 -121.42683 > D249 121.33234 > D250 80.68716 > D251 179.96881 > D252 -179.08958 > D253 175.01268 > D254 173.58355 > D255 -129.53628 > D256 -151.00762 > D257 -179.97767 > D258 179.91431 > D259 -121.69632 > D260 121.47482 > D261 179.97183 > D262 -120.08246 > D263 120.02981 > D264 -169.9916 > D265 -13.99249 > D266 24.12001 > D267 -178.60938 > D268 -25.09417 > D269 -179.46275 > D270 179.29109 > D271 -179.98103 > D272 -179.91332 > D273 121.30058 > D274 -121.49084 > D275 177.95742 > D276 -178.55224 > D277 -177.32796 > D278 177.68499 > D279 121.22771 > D280 -175.24382 > D281 175.26019 > D282 173.32736 > D283 179.98258 > D284 119.91801 > D285 -120.0139 > D286 -179.95719 > D287 179.87553 > D288 1.6457 > D289 -0.76957 > D290 3.3703 > D291 -121.30873 > D292 -179.36566 > D293 -179.37644 > D294 175.88155 > D295 -99.04024 > D296 179.82159 > D297 179.46699 > D298 179.92464 > D299 -179.42286 > D300 179.8322 > D301 -121.3136 > D302 121.08586 > D303 -165.32127 > D304 1.33411 > D305 -179.1043 > D306 179.52459 > D307 -173.39214 > D308 -166.75305 > D309 178.78676 > D310 -179.62938 > D311 179.98851 > D312 179.3246 > D313 -120.9288 > D314 120.98364 > D315 -60.23158 > D316 -179.08116 > D317 177.81204 > D318 99.09553 > D319 -113.35137 > D320 72.63105 > D321 178.4098 > D322 121.21442 > D323 -121.2109 > D324 121.26552 > D325 -121.38507 > D326 -63.79142 > D327 177.28251 > D328 -178.40357 > D329 166.70704 > D330 158.53207 > D331 -152.2868 > D332 -179.99517 > D333 179.81651 > D334 121.09825 > D335 -120.92303 > D336 179.9295 > D337 -119.8916 > D338 119.99301 > D339 -93.03266 > D340 17.4391 > D341 -178.92146 > D342 -72.58518 > D343 -157.32992 > D344 -24.88779 > D345 -179.53091 > D346 -179.30672 > D347 -179.8854 > D348 -121.33374 > D349 121.29676 > D350 -176.97831 > D351 176.97722 > D352 -179.96327 > D353 -179.65306 > D354 -168.70118 > D355 179.94256 > D356 179.96145 > D357 119.98786 > D358 -120.03904 > D359 179.96651 > D360 -0.95428 > D361 -0.04385 > D362 73.81482 > D363 179.90315 > D364 -179.02992 > D365 179.93891 > D366 179.50849 > D367 -121.01027 > D368 121.21024 > D369 -174.90385 > D370 179.88364 > D371 -179.68843 > D372 121.57758 > D373 -121.66599 > D374 170.07296 > D375 -121.44306 > D376 121.32792 > D377 179.95305 > D378 -119.98752 > D379 119.93396 > Leave Link 101 at Fri Oct 31 21:27:38 2008,=20 > MaxMem=3D 78643200 cpu: 1.0 > (Enter e:\programs\g98\l202.exe) > Stoichiometry C170H174N20O10Zn5 > Framework group C1[X(C170H174N20O10Zn5)] > Deg. of freedom 1131 > Full point group C1 NOp 1 > Largest Abelian subgroup C1 NOp 1 > Largest concise Abelian subgroup C1 NOp 1 > Standard orientation: > > > > >.. > > > > >9.261603 > No pseudopotential on this center. > 377 1=20 > 33.950554=20 > -1.865967 12.772608 > No pseudopotential on this center. > 378 1=20 > 31.150524=20 > -2.830987 12.787726 > No pseudopotential on this center. > 379 1=20 > 31.760564=20 > -0.072682 11.892651 > No pseudopotential on this center. >=20 >=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D= =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D= =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D= =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D= =3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D= =3D=3D=3D=3D=3D=3D > There are 2238 symmetry adapted basis functions of A symmetry. > Crude estimate of integral set expansion from redundant integrals=3D1.000= . > Integral buffers will be 262144 words long. > Raffenetti 2 integral format. > Two-electron integral symmetry is turned on. > 2238 basis functions 3717 primitive gaussians > 737 alpha electrons 737 beta electrons > nuclear repulsion energy 65866.0774363464 Hartrees. > Leave Link 301 at Fri Oct 31 21:27:38 2008,=20 > MaxMem=3D 78643200 cpu: 0.0 > (Enter e:\programs\g98\l302.exe) > One-electron integrals computed using PRISM. > 1 Symmetry operations used in ECPInt. > ECPInt: NShTT=3D 478731 NPrTT=3D 1571887 LenC2=3D 144251 LenP2D=3D = 273032. > LDataN: DoStor=3DF MaxTD1=3D 5 Len=3D 102 > LDataN: DoStor=3DT MaxTD1=3D 5 Len=3D 102 > NBasis=3D 2238 RedAO=3D T NBF=3D 2238 > NBsUse=3D 2238 1.00D-04 NBFU=3D 2238 > Leave Link 302 at Fri Oct 31 21:32:10 2008,=20 > MaxMem=3D 78643200 cpu: 272.0 > (Enter e:\programs\g98\l303.exe) > DipDrv: MaxL=3D1. > Leave Link 303 at Fri Oct 31 21:32:14 2008,=20 > MaxMem=3D 78643200 cpu: 3.0 > (Enter e:\programs\g98\l401.exe) > Projected Huckel Guess. > Leave Link 401 at Fri Oct 31 21:36:26 2008,=20 > MaxMem=3D 78643200 cpu: 252.0 > (Enter e:\programs\g98\l502.exe) > IExCor=3D 402 DFT=3DT Ex=3DB+HF Corr=3DLYP ScaHFX=3D 0.2000 > ScaDFX=3D 0.8000 0.7200 1.0000 0.8100 > IRadAn=3D 0 IRanWt=3D -1 IRanGd=3D 0 ICorTp=3D0 > Using DIIS extrapolation. > Closed shell SCF: > Requested convergence on RMS density matrix=3D1.00D-04 within 64 cycles. > Requested convergence on MAX density matrix=3D1.00D-02. > Requested convergence on energy=3D5.00D-05. > Virtual orbitals will be shifted by 0.200 hartree. > Integral symmetry usage will be decided dynamically. > IEnd=3D 16448346 IEndB=3D 16448346 NGot=3D 78643200 MDV=3D 67254831 > LenX=3D 67254831 > Fock matrices will be formed incrementally for 20 cycles. > > Cycle 1 Pass 1 IDiag 1: > Petite list used in FoFDir. > MinBra=3D 0 MaxBra=3D 2 Meth=3D 1. > IRaf=3D 0 NMat=3D 1 IRICut=3D 1=20 > DoRegI=3DT DoRafI=3DF ISym2E=3D 1 JSym2E=3D1. > E=3D-0.743642933536051D+05 > DIIS: error=3D 7.99D-01 at cycle 1. > T=3D 3000. Gap=3D 0.003 NK=3D0 IS=3D 1 IE=3D 2238 > NO(<0.9)=3D 5 NV(>0.1)=3D 7 735.05e < EF 1.95e >EF = Err=3D9.2D-11 > writwa > > > >-=3D This is automatically added to each message by the mailing script =3D-Jean-Christophe Poully Doctorant dans l'=E9quipe AMIBES Laboratoire de Physique des Lasers Institut Galil=E9e 99, avenue JB Cl=E9ment 93430 VILLETANEUSE Bureau B002 0149403853=20