Orca 5.0.3 RELEASE 1 2 3 4 15s8p3d2f1g 15s8p3d2f1g 20s14p4d2f1g 7s3p2d1f 7s4p3d2f1g 7s4p3d2f1g 9s6p4d2f1g 4s3p2d1f 0 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 C N C C N C C C P C C C C C C C C C C C C C C N C C H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H 1 2 1 1 2 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 337.22926099999984 AuxInfo=1/0/N:13,17,21,12,16,20,11,15,19,10,14,18,9;1,3,25,26,8,7,22,6,23,4,2,24,5/E:(1,2,3)(4,5,6)(7,8,9)(10,11,12);(1,2,3,4)(6,7)(8,9)(11,12)/CRV:13.4;5.3,6.3,7.3,8.3,9.3,10.3/rA:71CNCC3NC3C3C3P4CCCCCCCCCCCCC3C3NCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s2;s2;s4;s5;s6;s7;;s9;s10;s11;s12;s9;s14;s15;s16;s9;s18;s19;s20;s8;s5s22;s4;s24;s24;s1;s1;s1;s3;s3;s3;s6;s7;s8;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s15;s15;s16;s16;s17;s17;s17;s18;s18;s19;s19;s20;s20;s21;s21;s21;s22;s23;s25;s25;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Method DFT(GTOs) Exchange B88 XAlpha 0.666667 XBeta 0.004200 Correlation LYP LDAOpt VWN-5 PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.690000 ScalDFX 0.310000 ScalDFC 0.540000 ScalLDAC 0.540000 Perturbative correction 1.000000 Density functional embedding theory OFF NL short-range parameter 12.000000 RI-approximation to the Coulomb term is turned on functions 1771 RIJ-COSX (HFX calculated with COS-X)) on IntName C22H45N3P_sp_orca HFTyp RHF Charge 1 Mult 1 NEL 212 Dim 2845 ENuc 2816.0038350495 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-05 Converg. threshold II (energy diff.) 1.000e-08 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF on SOSCFMaxIt 150 SOSCFStart 0.003300 CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 250 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 2.500e-11 Eh TCut 2.500e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-08 Eh 1-El. energy change 1.000e-05 Eh TolG 1.000e-05 TolX 1.000e-05 TolErr 5.000e-07 Smallest eigenvalue 5.854e-06 Time for diagonalization 1.109 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 1.122 sec Total time needed 2.284 sec 6 7 6 6 7 6 6 6 15 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 337.22926099999984 AuxInfo=1/0/N:13,17,21,12,16,20,11,15,19,10,14,18,9;1,3,25,26,8,7,22,6,23,4,2,24,5/E:(1,2,3)(4,5,6)(7,8,9)(10,11,12);(1,2,3,4)(6,7)(8,9)(11,12)/CRV:13.4;5.3,6.3,7.3,8.3,9.3,10.3/rA:71CNCC3NC3C3C3P4CCCCCCCCCCCCC3C3NCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s2;s2;s4;s5;s6;s7;;s9;s10;s11;s12;s9;s14;s15;s16;s9;s18;s19;s20;s8;s5s22;s4;s24;s24;s1;s1;s1;s3;s3;s3;s6;s7;s8;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s15;s15;s16;s16;s17;s17;s17;s18;s18;s19;s19;s20;s20;s21;s21;s21;s22;s23;s25;s25;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 1 1 SP DSD-BLYP D3BJ def2-QZVPP def2-QZVPP/C def2/J TightSCF CPCM(Acetonitrile) cpcm surfacetype vdw_gaussian output xyzfile=True scf maxiter 250 output Print[P_Hirshfeld] = 1 maxcore 3000 %pal nprocs 16 337.22926099999984 AuxInfo=1/0/N:13,17,21,12,16,20,11,15,19,10,14,18,9;1,3,25,26,8,7,22,6,23,4,2,24,5/E:(1,2,3)(4,5,6)(7,8,9)(10,11,12);(1,2,3,4)(6,7)(8,9)(11,12)/CRV:13.4;5.3,6.3,7.3,8.3,9.3,10.3/rA:71CNCC3NC3C3C3P4CCCCCCCCCCCCC3C3NCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s2;s2;s4;s5;s6;s7;;s9;s10;s11;s12;s9;s14;s15;s16;s9;s18;s19;s20;s8;s5s22;s4;s24;s24;s1;s1;s1;s3;s3;s3;s6;s7;s8;s9;s10;s10;s11;s11;s12;s12;s13;s13;s13;s14;s14;s15;s15;s16;s16;s17;s17;s17;s18;s18;s19;s19;s20;s20;s21;s21;s21;s22;s23;s25;s25;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Epsilon 36.6000 Refrac 1.3440 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM C N P H 2.0400 1.8600 2.1600 1.3200 Calculating surface done! ( 0.0s) GEPOL surface points 3632 GEPOL Volume 3479.6227 GEPOL Surface-area 1753.8201 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.7s -1367.36257553 2816.00383505 -4183.36641058 -7438.47048236 3255.10407178 -0.07397441 -2731.54040562 1364.17783009 2.00233455 106.000011585681 106.000011585681 212.000023171361 -53.557371312100 -3.826291616763 -57.383662928863 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 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199.0335 199.1961 199.2446 199.3996 199.5323 199.7071 199.9299 200.0824 200.1515 200.2718 200.3135 200.5188 200.5878 200.7108 200.8740 200.9456 201.0385 201.2096 201.2834 201.4669 201.7353 201.8373 201.9938 202.1934 202.3277 202.3919 202.6655 202.9080 203.2144 203.2935 203.3930 203.5344 203.7121 203.9638 204.2990 204.4720 204.5879 204.8901 204.9831 205.2643 205.4696 205.5843 205.6374 205.7571 205.8580 205.9390 206.0650 206.1458 206.2858 206.3071 206.3500 206.4066 206.5245 206.5845 206.6178 206.8452 206.9027 207.0245 207.1753 207.2815 207.4218 207.4738 207.5748 207.6070 207.7325 207.9196 207.9890 208.0135 208.1083 208.2297 208.3284 208.4587 208.5279 208.6295 208.7112 208.8589 208.8851 208.9498 209.1583 209.2142 209.3519 209.4339 209.5003 209.6174 209.7227 209.7998 209.9676 210.0575 210.0741 210.2224 210.3958 210.4898 210.6500 210.8286 210.9521 211.0065 211.0343 211.2227 211.2944 211.4285 211.5482 211.5985 211.6328 211.7169 211.7953 211.9743 212.0981 212.1850 212.2738 212.3457 212.5102 212.5606 212.7687 212.8942 212.9635 212.9668 213.1186 213.3047 213.3455 213.3857 213.5672 213.6768 213.7028 213.9069 213.9636 214.0838 214.1770 214.3479 214.4853 214.5306 214.6378 214.7287 214.9246 215.0042 215.0437 215.2090 215.2389 215.3490 215.4125 215.5086 215.5737 215.6492 215.7581 215.8479 215.8804 215.9900 216.0291 216.1670 216.3207 216.3708 216.4244 216.5387 216.6402 216.6874 216.7854 216.9045 217.0325 217.1576 217.3042 217.4526 217.5313 217.6223 217.7509 217.8090 217.9416 218.0210 218.1850 218.3214 218.4106 218.5648 218.6315 218.8261 218.9275 219.0326 219.0545 219.1054 219.3048 219.3186 219.5159 219.5635 219.6032 219.6526 219.6974 219.8093 219.9509 220.0221 220.0682 220.2464 220.3054 220.3750 220.5503 220.5821 220.6801 220.6882 220.7573 220.9706 220.9913 221.1462 221.2130 221.2521 221.3191 221.4247 221.4928 221.6151 221.7116 221.8217 221.8803 222.0011 222.1423 222.1471 222.3498 222.3832 222.5089 222.6289 222.6968 222.7451 222.8482 223.0245 223.0833 223.2003 223.2650 223.4679 223.6030 223.7138 223.7973 223.8570 223.8796 223.9897 224.1096 224.2319 224.2647 224.4271 224.5086 224.5865 224.6354 224.7928 224.8715 224.9955 225.1484 225.2018 225.2512 225.4313 225.4486 225.6307 225.7131 225.8565 225.9887 226.1161 226.2383 226.3111 226.3545 226.4551 226.5269 226.6006 226.6721 226.8338 226.8807 226.9486 227.1053 227.1807 227.3325 227.3791 227.5463 227.6125 227.6956 227.8225 227.8710 228.0440 228.0600 228.2054 228.3053 228.4411 228.5740 228.6392 228.7587 228.8153 228.9638 229.1036 229.1635 229.2789 229.4002 229.4186 229.6677 229.6857 229.7352 230.0274 230.1292 230.2079 230.3814 230.4191 230.5669 230.7239 230.8164 230.8964 230.9239 230.9771 231.1502 231.3295 231.4094 231.5236 231.5979 231.7743 231.8768 232.1657 232.2948 232.3792 232.4706 232.7591 232.8123 233.1731 233.1851 233.3164 233.5289 233.7316 233.8234 233.8532 234.0882 234.0951 234.1472 234.2529 234.2694 234.3468 234.4661 234.4931 234.6196 234.7052 234.7715 234.8462 234.9123 235.0029 235.0800 235.1895 235.2710 235.3050 235.3780 235.4494 235.6234 235.6942 235.7699 235.8175 235.8386 235.9432 235.9912 236.0301 236.1236 236.1981 236.2494 236.3541 236.4471 236.4671 236.5715 236.6862 236.7563 236.8424 236.8626 237.0030 237.0827 237.1724 237.2092 237.2484 237.3901 237.5841 237.7292 237.7674 237.8862 237.9099 237.9607 238.0573 238.1212 238.1657 238.2640 238.3584 238.4014 238.5500 238.5993 238.6177 238.6626 238.8329 238.9885 239.0733 239.1591 239.3125 239.3919 239.4745 239.6115 239.6627 239.8030 239.9116 239.9444 240.1109 240.2060 240.3073 240.3478 240.3860 240.5309 240.6172 240.7044 240.7667 240.8872 240.9511 240.9791 241.1336 241.2259 241.3207 241.3988 241.4976 241.5686 241.6898 241.7326 241.9621 241.9883 242.1708 242.2475 242.2905 242.3977 242.4622 242.5955 242.6738 242.7321 242.7762 242.8549 243.0725 243.1505 243.3133 243.4344 243.4922 243.7015 243.7748 243.8585 243.9185 244.1077 244.4380 244.5288 244.6577 244.7786 244.7861 245.0125 245.1002 245.1930 245.2993 245.5011 245.5158 245.6762 245.7842 245.8546 245.8613 246.0404 246.1809 246.3063 246.3929 246.4156 246.5629 246.7785 246.8909 246.9568 247.1721 247.3612 247.4238 247.5792 247.7239 247.8255 248.0594 248.1356 248.2804 248.4889 248.5718 248.5998 248.8169 248.8321 249.0407 249.1484 249.2268 249.4589 249.5149 249.5804 249.6741 249.9495 249.9852 250.1851 250.3205 250.3592 250.4105 250.5734 250.6760 250.7856 250.9159 250.9437 251.0435 251.1653 251.3503 251.5553 251.5824 251.7855 251.8679 252.0900 252.1962 252.2937 252.4547 252.5977 252.7271 252.7884 253.0290 253.0590 253.1157 253.3442 253.4108 253.4536 253.5442 253.6371 253.7472 253.8367 253.9544 254.1443 254.2169 254.3105 254.3565 254.5938 254.7098 254.9395 255.1551 255.2921 255.3693 255.6293 255.8154 255.9953 256.0536 256.3940 256.4935 256.5516 256.8318 256.9734 257.0072 257.0984 257.4295 257.4660 257.6010 257.8962 258.0452 258.2179 258.6067 258.7625 258.9048 259.4377 259.7452 259.9892 260.0399 260.2956 260.3376 260.7340 260.8655 261.5466 262.1660 262.2726 262.5633 263.0118 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355.7616 356.4596 362.0350 363.5841 364.0213 364.3474 365.9674 366.3644 366.7736 367.0565 367.9089 368.7807 369.1901 370.1413 370.7888 371.0053 371.0799 372.2599 373.0714 373.7008 374.3020 536.0165 538.1581 539.4849 599.2806 787.6855 790.5861 794.2699 804.4045 806.0089 806.4714 807.0475 807.3141 807.4554 807.7154 807.8687 808.6258 808.7785 809.2992 809.7218 810.0198 810.4238 810.5809 810.8438 811.4005 811.5542 812.5202 1052.1324 1052.5721 1054.2227 1974.9500 4050.1388 4052.5138 4056.9227 4068.5190 4068.6543 4069.2407 4070.0896 4070.4231 4070.5874 4070.7454 4071.1005 4071.9045 4072.0690 4072.5679 4073.3362 4073.5818 4074.1038 4074.5999 4074.6928 4074.8723 4075.5196 4075.6090 5415.1010 5415.5072 5417.0719 10500.7170 1.0000000 0 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 C N C C N C C C P C C C C C C C C C C C C C C N C C H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H -0.034992 -0.286372 -0.050455 0.464697 -0.312201 -0.027972 -0.231741 0.000697 0.775746 -0.155242 -0.119761 -0.088617 -0.198742 -0.167002 -0.076117 -0.106654 -0.203543 -0.114478 -0.099409 -0.106591 -0.211148 -0.266385 -0.015543 -0.286102 -0.059290 -0.046899 0.082201 0.093325 0.094563 0.089413 0.102815 0.095395 0.142715 0.117702 0.034946 -0.263818 0.071516 0.081864 0.067605 0.056965 0.038182 0.040853 0.053802 0.060516 0.061024 0.080839 0.064611 0.049328 0.070044 0.041809 0.045738 0.056503 0.061642 0.058484 0.078560 0.051756 0.055644 0.054034 0.059466 0.048053 0.055426 0.055741 0.059009 0.140219 0.145441 0.098228 0.101881 0.090199 0.097615 0.095886 0.086377 0 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 C N C C N C C C P C C C C C C C C C C C C C C N C C H H 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C C C C C C C C C C C N C C H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H 6.0350 7.2864 6.0505 5.5353 7.3122 6.0280 6.2317 5.9993 14.2243 6.1552 6.1198 6.0886 6.1987 6.1670 6.0761 6.1067 6.2035 6.1145 6.0994 6.1066 6.2111 6.2664 6.0155 7.2861 6.0593 6.0469 0.9178 0.9067 0.9054 0.9106 0.8972 0.9046 0.8573 0.8823 0.9651 1.2638 0.9285 0.9181 0.9324 0.9430 0.9618 0.9591 0.9462 0.9395 0.9390 0.9192 0.9354 0.9507 0.9300 0.9582 0.9543 0.9435 0.9384 0.9415 0.9214 0.9482 0.9444 0.9460 0.9405 0.9519 0.9446 0.9443 0.9410 0.8598 0.8546 0.9018 0.8981 0.9098 0.9024 0.9041 0.9136 6.0000 7.0000 6.0000 6.0000 7.0000 6.0000 6.0000 6.0000 15.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 7.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.0350 -0.2864 -0.0505 0.4647 -0.3122 -0.0280 -0.2317 0.0007 0.7757 -0.1552 -0.1198 -0.0886 -0.1987 -0.1670 -0.0761 -0.1067 -0.2035 -0.1145 -0.0994 -0.1066 -0.2111 -0.2664 -0.0155 -0.2861 -0.0593 -0.0469 0.0822 0.0933 0.0946 0.0894 0.1028 0.0954 0.1427 0.1177 0.0349 -0.2638 0.0715 0.0819 0.0676 0.0570 0.0382 0.0409 0.0538 0.0605 0.0610 0.0808 0.0646 0.0493 0.0700 0.0418 0.0457 0.0565 0.0616 0.0585 0.0786 0.0518 0.0556 0.0540 0.0595 0.0481 0.0554 0.0557 0.0590 0.1402 0.1454 0.0982 0.1019 0.0902 0.0976 0.0959 0.0864 3.8247 3.0339 3.8194 3.7867 3.0735 3.6611 3.6898 3.2767 4.3422 3.7099 3.8219 3.8540 3.9063 3.7227 3.8099 3.8430 3.9065 3.6623 3.8000 3.8274 3.8985 3.7318 3.6853 3.0328 3.8324 3.8239 0.9904 0.9810 0.9935 0.9898 0.9811 0.9859 0.9850 0.9990 0.9898 0.9369 0.9833 0.9857 0.9869 0.9898 0.9951 0.9960 0.9993 0.9959 0.9966 0.9925 0.9925 0.9916 0.9867 0.9953 0.9985 0.9961 0.9967 0.9986 0.9837 0.9852 0.9857 0.9982 0.9873 0.9931 0.9973 0.9981 0.9964 0.9795 0.9772 0.9843 0.9854 0.9896 0.9826 0.9867 0.9909 3.8247 3.0339 3.8194 3.7867 3.0735 3.6611 3.6898 3.2767 4.3422 3.7099 3.8219 3.8540 3.9063 3.7227 3.8099 3.8430 3.9065 3.6623 3.8000 3.8274 3.8985 3.7318 3.6853 3.0328 3.8324 3.8239 0.9904 0.9810 0.9935 0.9898 0.9811 0.9859 0.9850 0.9990 0.9898 0.9369 0.9833 0.9857 0.9869 0.9898 0.9951 0.9960 0.9993 0.9959 0.9966 0.9925 0.9925 0.9916 0.9867 0.9953 0.9985 0.9961 0.9967 0.9986 0.9837 0.9852 0.9857 0.9982 0.9873 0.9931 0.9973 0.9981 0.9964 0.9795 0.9772 0.9843 0.9854 0.9896 0.9826 0.9867 0.9909 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.8863 0.9770 0.9651 0.9741 0.8817 1.2772 0.9765 0.9672 0.9711 1.2010 1.2672 0.9276 0.9585 1.7767 0.9756 0.8433 0.9788 0.6853 0.8776 0.9385 0.8917 0.8985 0.8839 0.9231 0.9405 0.9468 0.9492 0.9582 0.9665 0.9741 0.9496 0.9798 0.9793 0.9869 0.9837 0.9810 0.9305 0.9449 0.9633 0.9485 0.9757 0.9660 0.9531 0.9824 0.9797 0.9831 0.9813 0.9863 0.9230 0.9664 0.9418 0.9539 0.9712 0.9700 0.9567 0.9714 0.9763 0.9819 0.9855 0.9803 1.7720 0.9657 0.9671 0.8866 0.8804 0.9693 0.9696 0.9767 0.9695 0.9726 0.9776 0 1 0 26 0 27 0 28 1 2 1 3 2 29 2 30 2 31 3 4 3 23 4 5 4 22 5 6 5 32 6 7 6 33 7 8 7 21 7 34 8 9 8 13 8 17 8 35 9 10 9 36 9 37 10 11 10 38 10 39 11 12 11 40 11 41 12 42 12 43 12 44 13 14 13 45 13 46 14 15 14 47 14 48 15 16 15 49 15 50 16 51 16 52 16 53 17 18 17 54 17 55 18 19 18 56 18 57 19 20 19 58 19 59 20 60 20 61 20 62 21 22 21 63 22 64 23 24 23 25 24 65 24 66 24 67 25 68 25 69 25 70 -1369.776357821 -0.055116036 -1369.831473857627 -14.93521 20.83624 5.90102 1.32628 -0.94109 0.38519 5.91754 -5.35134 0.56620 5.94063 15.09987