Orca 5.0.2 RELEASE 1 2 3 11s6p2d1f 11s6p2d1f 5s2p1d 5s3p2d1f 5s3p2d1f 3s2p1d 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 O O O C C C C C C C C C C C C C C C C C C C C 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 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 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 3 312.2335999999998 AuxInfo=1/0/N:12,13,7,8,25,23,24,21,22,9,19,16,17,14,11,20,15,18,5,6,10,4,2,3,1/E:(1,2)(3,4)(6,7)(8,9)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,12.3,13.3,15.3,16.3,17.3,18.3,21.3,23.1/rA:51nOO1OCCCCCC3C3C3CCCC3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s4s5;s4;s4;s5;s1s2s6;s9;s11;s11;s1;s14;s15;s3s15;s3s16;s18;s19;s20;s20;s21;s22;s23s24;s5;s6;s7;s7;s7;s8;s8;s8;s9;s12;s12;s12;s13;s13;s13;s14;s14;s16;s17;s19;s19;s21;s22;s23;s24;s25;/rC:1.0486,-1.0486,-1.4444;2.3547,-2.6253,-.551;-1.364,-2.6059,1.8542;3.0079,.7626,.1973;3.1248,.9613,-1.2876;3.2075,-.4328,-.7206;4.1801,1.1211,1.0762;1.6731,1.0057,.8589;4.337,1.5524,-1.908;2.1769,-1.4773,-.8907;4.4522,2.8157,-2.3267;5.7175,3.3131,-2.957;3.3606,3.8343,-2.2079;-.0586,-1.9644,-1.5058;-.773,-2.0302,-.2028;-1.8331,-1.1722,.2381;-.5342,-2.8766,.8266;-2.1555,-1.5688,1.492;-3.1526,-1.0968,2.492;-4.2001,-.2249,1.8552;-4.1127,1.1615,1.9167;-5.2658,-.8005,1.167;-5.0729,1.9596,1.307;-6.2269,-.0072,.5585;-6.1327,1.3773,.6269;2.1872,1.209,-1.7754;4.2017,-.8653,-.6689;4.1828,2.1919,1.2923;5.1389,.8755,.6202;4.1225,.5926,2.0301;1.6401,2.0233,1.2541;1.5164,.3249,1.6987;.8301,.899,.1793;5.1941,.8947,-2.0246;5.5323,3.6955,-3.9645;6.1402,4.144,-2.3857;6.4768,2.5341,-3.0284;3.0599,4.2013,-3.1931;2.4707,3.4589,-1.7051;3.7114,4.7068,-1.6502;.2778,-2.9482,-1.8334;-.7085,-1.5585,-2.2791;-2.2942,-.3745,-.3234;.1554,-3.6946,.9636;-2.6457,-.5493,3.2928;-3.625,-1.9625,2.9652;-3.2884,1.6231,2.4478;-5.345,-1.8801,1.1093;-4.9925,3.0377,1.3665;-7.0522,-.4698,.0321;-6.8835,1.9977,.1542; Method DFT(GTOs) Exchange WB97X-D3 Correlation WB97X-D3 PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.195728 ScalDFX 0.000000 ScalDFC 1.000000 ScalLDAC 1.000000 Perturbative correction 0.000000 Density functional embedding theory OFF Long-range corrected/Screened/Range-Separated Hybrid DFT is turned on Amount of maximum screened exact exchange 0.804272 Range separation parameter mu (erf(mu*r12)/r12) 0.250000 RI-approximation to the Coulomb term is turned on functions 1511 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 182 Dim 1139 ENuc 2088.5308249697 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-04 Converg. threshold II (energy diff.) 1.000e-07 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 off 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 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 7.701e-06 Time for diagonalization 0.538 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.494 sec Total time needed 1.044 sec 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 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 1 312.2335999999998 AuxInfo=1/0/N:12,13,7,8,25,23,24,21,22,9,19,16,17,14,11,20,15,18,5,6,10,4,2,3,1/E:(1,2)(3,4)(6,7)(8,9)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,12.3,13.3,15.3,16.3,17.3,18.3,21.3,23.1/rA:51nOO1OCCCCCC3C3C3CCCC3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s4s5;s4;s4;s5;s1s2s6;s9;s11;s11;s1;s14;s15;s3s15;s3s16;s18;s19;s20;s20;s21;s22;s23s24;s5;s6;s7;s7;s7;s8;s8;s8;s9;s12;s12;s12;s13;s13;s13;s14;s14;s16;s17;s19;s19;s21;s22;s23;s24;s25;/rC:1.0486,-1.0486,-1.4444;2.3547,-2.6253,-.551;-1.364,-2.6059,1.8542;3.0079,.7626,.1973;3.1248,.9613,-1.2876;3.2075,-.4328,-.7206;4.1801,1.1211,1.0762;1.6731,1.0057,.8589;4.337,1.5524,-1.908;2.1769,-1.4773,-.8907;4.4522,2.8157,-2.3267;5.7175,3.3131,-2.957;3.3606,3.8343,-2.2079;-.0586,-1.9644,-1.5058;-.773,-2.0302,-.2028;-1.8331,-1.1722,.2381;-.5342,-2.8766,.8266;-2.1555,-1.5688,1.492;-3.1526,-1.0968,2.492;-4.2001,-.2249,1.8552;-4.1127,1.1615,1.9167;-5.2658,-.8005,1.167;-5.0729,1.9596,1.307;-6.2269,-.0072,.5585;-6.1327,1.3773,.6269;2.1872,1.209,-1.7754;4.2017,-.8653,-.6689;4.1828,2.1919,1.2923;5.1389,.8755,.6202;4.1225,.5926,2.0301;1.6401,2.0233,1.2541;1.5164,.3249,1.6987;.8301,.899,.1793;5.1941,.8947,-2.0246;5.5323,3.6955,-3.9645;6.1402,4.144,-2.3857;6.4768,2.5341,-3.0284;3.0599,4.2013,-3.1931;2.4707,3.4589,-1.7051;3.7114,4.7068,-1.6501;.2778,-2.9482,-1.8334;-.7085,-1.5585,-2.2791;-2.2942,-.3745,-.3234;.1554,-3.6946,.9636;-2.6457,-.5493,3.2928;-3.625,-1.9625,2.9652;-3.2884,1.6231,2.4479;-5.345,-1.8801,1.1093;-4.9925,3.0377,1.3665;-7.0522,-.4698,.0321;-6.8835,1.9977,.1542; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 cpcm smd true smdsolvent "1-OCTANOL" 312.2335999999998 AuxInfo=1/0/N:12,13,7,8,25,23,24,21,22,9,19,16,17,14,11,20,15,18,5,6,10,4,2,3,1/E:(1,2)(3,4)(6,7)(8,9)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,12.3,13.3,15.3,16.3,17.3,18.3,21.3,23.1/rA:51nOO1OCCCCCC3C3C3CCCC3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s4s5;s4;s4;s5;s1s2s6;s9;s11;s11;s1;s14;s15;s3s15;s3s16;s18;s19;s20;s20;s21;s22;s23s24;s5;s6;s7;s7;s7;s8;s8;s8;s9;s12;s12;s12;s13;s13;s13;s14;s14;s16;s17;s19;s19;s21;s22;s23;s24;s25;/rC:1.0486,-1.0486,-1.4444;2.3547,-2.6253,-.551;-1.364,-2.6059,1.8542;3.0079,.7626,.1973;3.1248,.9613,-1.2876;3.2075,-.4328,-.7206;4.1801,1.1211,1.0762;1.6731,1.0057,.8589;4.337,1.5524,-1.908;2.1769,-1.4773,-.8907;4.4522,2.8157,-2.3267;5.7175,3.3131,-2.957;3.3606,3.8343,-2.2079;-.0586,-1.9644,-1.5058;-.773,-2.0302,-.2028;-1.8331,-1.1722,.2381;-.5342,-2.8766,.8266;-2.1555,-1.5688,1.492;-3.1526,-1.0968,2.492;-4.2001,-.2249,1.8552;-4.1127,1.1615,1.9167;-5.2658,-.8005,1.167;-5.0729,1.9596,1.307;-6.2269,-.0072,.5585;-6.1327,1.3773,.6269;2.1872,1.209,-1.7754;4.2017,-.8653,-.6689;4.1828,2.1919,1.2923;5.1389,.8755,.6202;4.1225,.5926,2.0301;1.6401,2.0233,1.2541;1.5164,.3249,1.6987;.8301,.899,.1793;5.1941,.8947,-2.0246;5.5323,3.6955,-3.9645;6.1402,4.144,-2.3857;6.4768,2.5341,-3.0284;3.0599,4.2013,-3.1931;2.4707,3.4589,-1.7051;3.7114,4.7068,-1.6502;.2778,-2.9482,-1.8334;-.7085,-1.5585,-2.2791;-2.2942,-.3745,-.3234;.1554,-3.6946,.9636;-2.6457,-.5493,3.2928;-3.625,-1.9625,2.9652;-3.2884,1.6231,2.4478;-5.345,-1.8801,1.1093;-4.9925,3.0377,1.3665;-7.0522,-.4698,.0321;-6.8835,1.9977,.1542; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM O C H 1.6280 1.8500 1.2000 Solvent: 1-OCTANOL Soln 1.4295 Soln25 1.4279 Sola 0.3700 Solb 0.4800 Solg 39.0100 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 3029 GEPOL Volume 2459.3916 GEPOL Surface-area 1447.5371 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 4.2s) Overall time for CPCM initialization 4.3s -1079.75160336 2088.53082497 -3168.28242833 -5615.89150682 2447.60907849 -0.02436991 -2154.61049507 1074.85889171 2.00455196 91.000091320116 91.000091320116 182.000182640233 -106.460699585932 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 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8.3054 8.4334 8.4861 8.6698 8.7838 8.9287 9.0209 9.0705 9.1479 9.2502 9.3112 9.5759 9.6940 9.7732 9.8789 9.9809 10.1105 10.2398 10.3965 10.5338 10.7204 10.7556 10.8593 10.8847 10.9839 11.0224 11.0740 11.2148 11.3330 11.4244 11.5829 11.6989 11.9316 12.0025 12.0894 12.1572 12.3162 12.4049 12.5077 12.5588 12.7265 12.8213 12.9123 12.9999 13.0743 13.1280 13.2560 13.3402 13.4336 13.5804 13.5893 13.6984 13.8410 13.8726 13.9666 14.0716 14.1618 14.2772 14.2942 14.3684 14.4583 14.5350 14.6097 14.7390 14.8370 14.8663 14.9093 15.0146 15.0518 15.1257 15.3797 15.4211 15.4784 15.5887 15.7586 15.7978 15.9186 15.9625 16.0785 16.1114 16.1603 16.2647 16.4445 16.4773 16.5264 16.6756 16.8678 16.9627 17.0394 17.1337 17.1519 17.3818 17.4914 17.5671 17.8129 17.8776 18.0051 18.0675 18.2016 18.2949 18.4562 18.5803 18.7823 18.9135 19.0789 19.3328 19.3971 19.5398 19.5997 19.7009 19.8160 19.9595 20.2715 20.3850 20.5296 20.5871 20.6813 20.7132 20.8905 21.0971 21.2011 21.4721 21.5509 21.8110 21.9563 22.0445 22.1443 22.2581 22.4502 22.5999 22.8244 22.8546 23.0663 23.2749 23.4933 23.6538 23.7872 23.9674 23.9898 24.1128 24.2596 24.4569 24.6102 24.8490 25.0743 25.1213 25.2591 25.4720 25.5396 25.6832 25.8130 25.8554 26.0025 26.2418 26.2862 26.4842 26.8829 26.9045 27.0630 27.2431 27.3417 27.5054 27.6154 27.6603 27.8868 28.0746 28.1619 28.3975 28.4664 28.6545 28.8094 28.8168 28.8933 28.9803 29.0877 29.1214 29.2409 29.4053 29.5278 29.6719 29.8644 29.9363 30.0035 30.1583 30.2766 30.3320 30.5391 30.6182 30.7296 30.9501 31.0682 31.3227 31.4848 31.6174 31.6796 31.7534 31.8443 31.9524 32.1261 32.1831 32.3554 32.4580 32.6159 32.7634 33.0205 33.1942 33.3341 33.3783 33.4990 33.5805 33.6423 33.7272 33.9677 34.1229 34.2768 34.5386 34.6391 34.7842 34.7992 35.0176 35.2028 35.3726 35.5471 35.7480 35.7966 35.9413 36.0727 36.0953 36.1680 36.4837 36.6438 36.7993 36.9380 36.9798 37.1157 37.1449 37.2733 37.4354 37.6424 37.9318 38.0273 38.2263 38.2638 38.2910 38.4416 38.5757 38.7145 38.8584 38.9020 39.0144 39.0847 39.2256 39.4261 39.4977 39.7610 39.8257 39.8617 40.0505 40.1096 40.3083 40.4295 40.5460 40.6247 40.8030 41.0428 41.2969 41.3128 41.5325 41.5461 41.6797 41.9359 42.0610 42.1594 42.2659 42.3635 42.5089 42.6467 42.7390 42.7946 43.0797 43.1534 43.2542 43.4022 43.5075 43.6262 43.6759 43.8436 43.9014 44.0780 44.1748 44.2972 44.3787 44.5299 44.6975 44.8006 44.9295 45.0884 45.2338 45.3826 45.4313 45.4857 45.6198 45.9353 45.9912 46.1359 46.3682 46.4628 46.5822 46.6109 46.8744 47.0057 47.0301 47.2197 47.4062 47.5444 47.7489 47.8425 47.9863 48.1638 48.5434 48.6104 48.6995 48.8011 48.9551 49.0314 49.4192 49.5889 49.7528 49.8250 50.0974 50.1460 50.2666 50.4710 50.6256 51.1402 51.5047 51.6666 51.7490 52.1486 52.2612 52.3546 52.6433 52.8611 53.0425 53.1594 53.6289 53.7614 54.2153 54.4815 54.5899 55.0658 55.2449 55.4542 55.9100 56.1744 56.3739 56.6926 56.8613 56.9833 57.2804 57.3902 57.5316 57.8275 57.8492 58.0191 58.2839 58.5499 58.7709 58.8436 59.3069 59.4870 59.6528 59.8476 60.0247 60.2586 60.6856 60.7141 61.0645 61.2302 61.4639 61.8995 62.3170 62.5351 62.6708 62.8529 62.9641 63.1700 63.7664 63.9786 64.2509 64.3771 64.5873 64.9228 65.0187 65.1214 65.3617 65.6806 66.3000 66.4856 66.6658 67.2258 67.3241 67.3599 67.5045 67.6168 68.3219 68.7180 69.0387 69.3255 69.5001 69.6211 69.9103 70.1466 70.2354 70.5102 70.8533 71.1404 71.1845 71.6153 71.7433 72.1046 72.1504 72.5124 72.8998 73.1873 73.2162 73.2776 73.4765 73.6518 73.7891 74.0590 74.3277 74.6333 74.8924 75.0734 75.1584 75.3647 75.4508 75.6314 75.9622 76.0804 76.1307 76.3191 76.4007 76.5445 76.6909 76.7940 77.2744 77.3351 77.5136 77.6035 77.7493 77.8194 77.9512 78.1740 78.2010 78.4712 78.5716 78.6848 78.8043 78.8225 79.0870 79.1425 79.3325 79.4764 79.5702 79.6261 79.7581 79.9784 80.0381 80.1961 80.3747 80.6417 80.8214 81.0014 81.1222 81.2720 81.3126 81.4630 81.7832 81.9707 81.9999 82.1665 82.2618 82.3334 82.4480 82.4633 82.7891 82.9201 83.1695 83.2205 83.3902 83.6152 83.6756 83.7872 83.8276 83.8927 84.1801 84.2190 84.3528 84.6356 84.7833 84.8749 84.9655 85.1169 85.1421 85.2589 85.3325 85.4311 85.5577 85.7022 85.8249 85.8330 85.9814 86.0785 86.1316 86.2313 86.3791 86.5631 86.6316 86.7626 86.8556 86.9824 87.2223 87.3966 87.4327 87.5742 87.7298 87.8498 87.8941 87.9659 88.2882 88.4299 88.4989 88.5400 88.6192 88.7197 88.8462 89.0266 89.1570 89.2360 89.3587 89.5768 89.6409 89.6861 89.8066 90.0638 90.2834 90.5213 90.6554 90.8472 90.8784 91.0169 91.1002 91.2836 91.4237 91.6232 91.7813 91.9259 92.1407 92.3033 92.3346 92.5314 92.5514 92.7351 92.8756 93.0209 93.0905 93.2181 93.3864 93.4572 93.5841 93.6700 93.6800 93.7782 93.8545 93.9505 93.9619 94.2417 94.4449 94.5386 94.6342 94.6778 94.9323 95.1201 95.3375 95.4263 95.5298 95.6469 95.6738 95.7353 95.9946 96.1376 96.3083 96.4085 96.6174 96.8089 96.9019 97.0484 97.2877 97.4177 97.4711 97.5544 97.7454 97.8524 97.9619 98.0879 98.1357 98.3694 98.4690 98.7225 98.8185 98.9565 99.0756 99.1216 99.2344 99.3037 99.4689 99.6294 99.7578 99.9772 100.0971 100.3655 100.4332 100.6392 100.7211 100.8028 100.9076 101.2787 101.4178 101.4841 101.6919 101.7515 101.8435 102.1578 102.1793 102.4778 102.6161 102.7032 102.7836 103.0239 103.1994 103.3437 103.4370 103.5822 103.7762 104.0601 104.1284 104.3293 104.6827 105.0097 105.0980 105.1428 105.2997 105.3887 105.5004 105.6868 105.8287 105.9194 106.2013 106.4434 106.5524 106.6077 106.7888 106.8903 107.0704 107.1914 107.2242 107.3081 107.4627 107.5492 107.7792 107.8335 107.9432 108.2589 108.6830 108.7634 108.9878 109.0739 109.2115 109.3207 109.3700 109.4868 109.5436 109.5924 109.7301 109.9688 110.2577 110.3801 110.4489 110.5375 110.6238 110.8340 110.9840 111.1341 111.1531 111.3481 111.4792 111.6801 111.8166 112.0555 112.2448 112.3046 112.5556 112.6424 112.8045 112.9134 113.0531 113.3612 113.5097 113.5911 113.8939 114.0769 114.1372 114.2267 114.5917 114.6317 114.8314 114.9393 114.9689 115.0768 115.1963 115.3226 115.6756 115.7758 115.8428 115.9875 116.0292 116.2888 116.3289 116.4816 116.5619 116.7149 116.8374 117.1172 117.2515 117.3186 117.4106 117.5117 117.7253 117.8676 117.9623 118.1828 118.2362 118.3593 118.4022 118.5648 118.6601 118.9205 118.9722 119.1282 119.2149 119.3762 119.6602 119.7867 119.9510 120.0005 120.2020 120.3096 120.5521 120.7099 120.7401 120.9477 121.1325 121.2709 121.4482 121.8747 122.0717 122.1546 122.6485 122.8531 122.9739 123.1834 123.3790 123.4739 123.6828 124.0164 124.1434 124.2038 124.4597 124.8891 125.0995 125.2362 125.7134 125.8791 125.8961 126.2562 126.6128 126.6800 126.8528 127.1282 127.4405 127.5613 127.9309 128.1353 128.6647 129.0586 129.1191 129.1893 129.4264 129.4967 129.5969 129.7601 129.8485 129.9336 130.1066 130.2884 130.3948 130.4761 131.0851 131.2280 131.3731 131.5800 131.8004 131.9640 132.1757 132.2735 132.7050 132.8239 132.9328 133.2545 133.5618 133.7523 133.7827 134.0156 134.3871 134.4186 134.7048 134.9072 135.1955 135.5126 135.7766 135.9415 136.1505 136.1857 136.2498 136.7492 137.2253 137.7009 138.0493 138.4148 138.6621 139.0641 139.1908 139.5623 139.7901 139.9492 140.2222 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11 34 11 35 11 36 12 37 12 38 12 39 13 14 13 40 13 41 14 15 14 16 15 17 15 42 16 43 17 18 18 19 18 44 18 45 19 20 19 21 20 22 20 46 21 23 21 47 22 24 22 48 23 24 23 49 24 50 -0.023849798 -1079.775453158037 18.69726 -19.31328 -0.61602 22.63564 -21.10065 1.53499 -5.05909 4.87692 -0.18216 1.66399 4.22953