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:.8151,-1.144,.6596;2.1421,.5705,1.1977;-1.7526,2.3976,.1555;3.8666,-.3532,-1.2298;4.4024,-1.0946,-.0553;2.8988,-1.1111,-.3368;3.8847,1.1548,-1.2589;4.0794,-.9675,-2.5937;4.9986,-.4065,1.118;1.9526,-.4483,.5765;4.9462,-.8462,2.377;5.6171,-.1051,3.4932;4.2018,-2.0787,2.7874;-.2159,-.6356,1.5203;-1.0252,.425,.8589;-2.2026,.2356,.0637;-.8059,1.7613,.8739;-2.6025,1.4655,-.337;-3.7254,1.9573,-1.1831;-4.7829,.9035,-1.3695;-4.7755,.0709,-2.484;-5.7768,.7297,-.4092;-5.7443,-.913,-2.6402;-6.7466,-.2505,-.5626;-6.7331,-1.0757,-1.6801;4.8601,-2.0531,-.2892;2.5217,-2.0378,-.754;3.0689,1.537,-1.8753;3.8037,1.6193,-.2803;4.8191,1.4978,-1.7078;3.3125,-.6385,-3.2978;5.0496,-.6719,-2.9988;4.054,-2.0573,-2.5596;5.5487,.5086,.9155;6.1201,.7975,3.1459;6.3592,-.7337,3.9923;4.8936,.1861,4.2595;3.7956,-2.6381,1.9469;3.3708,-1.8228,3.4505;4.8487,-2.7529,3.3541;.2121,-.2836,2.4583;-.8381,-1.5002,1.7426;-2.6831,-.7031,-.164;-.058,2.3805,1.3435;-3.3416,2.2777,-2.157;-4.1635,2.8458,-.7194;-4.0083,.1942,-3.2398;-5.7945,1.3711,.4646;-5.7276,-1.5499,-3.5156;-7.516,-.3686,.1901;-7.4906,-1.8395,-1.8021; 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 2078.3612705256 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 7.792e-06 Time for diagonalization 0.264 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.227 sec Total time needed 0.496 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:.8151,-1.144,.6596;2.1421,.5705,1.1977;-1.7526,2.3976,.1555;3.8666,-.3532,-1.2298;4.4024,-1.0946,-.0553;2.8988,-1.1111,-.3368;3.8847,1.1548,-1.2589;4.0794,-.9675,-2.5937;4.9986,-.4065,1.118;1.9526,-.4483,.5765;4.9462,-.8462,2.377;5.6171,-.1051,3.4932;4.2018,-2.0787,2.7874;-.2159,-.6356,1.5203;-1.0252,.425,.8589;-2.2026,.2356,.0637;-.8059,1.7613,.8739;-2.6025,1.4655,-.337;-3.7254,1.9573,-1.1832;-4.7829,.9035,-1.3695;-4.7755,.0709,-2.484;-5.7768,.7297,-.4092;-5.7443,-.913,-2.6402;-6.7466,-.2505,-.5626;-6.7331,-1.0757,-1.6801;4.8601,-2.0531,-.2892;2.5217,-2.0378,-.754;3.0689,1.537,-1.8753;3.8037,1.6193,-.2803;4.8191,1.4978,-1.7078;3.3125,-.6385,-3.2978;5.0496,-.6719,-2.9988;4.054,-2.0573,-2.5596;5.5487,.5086,.9155;6.1201,.7975,3.1459;6.3592,-.7337,3.9923;4.8936,.1861,4.2595;3.7956,-2.6381,1.9469;3.3708,-1.8228,3.4505;4.8487,-2.7529,3.3541;.2121,-.2836,2.4583;-.8381,-1.5002,1.7426;-2.6831,-.7031,-.164;-.058,2.3805,1.3435;-3.3416,2.2777,-2.157;-4.1635,2.8458,-.7194;-4.0083,.1942,-3.2398;-5.7945,1.3711,.4646;-5.7276,-1.5499,-3.5156;-7.516,-.3686,.1901;-7.4906,-1.8395,-1.8021; 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:.8151,-1.144,.6596;2.1421,.5705,1.1977;-1.7526,2.3976,.1555;3.8666,-.3532,-1.2298;4.4024,-1.0946,-.0553;2.8988,-1.1111,-.3368;3.8847,1.1548,-1.2589;4.0794,-.9675,-2.5937;4.9986,-.4065,1.118;1.9526,-.4483,.5765;4.9462,-.8462,2.377;5.6171,-.1051,3.4932;4.2018,-2.0787,2.7874;-.2159,-.6356,1.5203;-1.0252,.425,.8589;-2.2026,.2356,.0637;-.8059,1.7613,.8739;-2.6025,1.4655,-.337;-3.7254,1.9573,-1.1831;-4.7829,.9035,-1.3695;-4.7755,.0709,-2.484;-5.7768,.7297,-.4092;-5.7443,-.913,-2.6402;-6.7466,-.2505,-.5626;-6.7331,-1.0757,-1.6801;4.8601,-2.0531,-.2892;2.5217,-2.0378,-.754;3.0689,1.537,-1.8753;3.8037,1.6193,-.2803;4.8191,1.4978,-1.7078;3.3125,-.6385,-3.2978;5.0496,-.6719,-2.9988;4.054,-2.0573,-2.5596;5.5487,.5086,.9155;6.1201,.7975,3.1459;6.3592,-.7337,3.9923;4.8936,.1861,4.2595;3.7956,-2.6381,1.9469;3.3708,-1.8228,3.4505;4.8487,-2.7529,3.3541;.2121,-.2836,2.4583;-.8381,-1.5002,1.7426;-2.6831,-.7031,-.164;-.058,2.3805,1.3435;-3.3416,2.2777,-2.157;-4.1635,2.8458,-.7194;-4.0083,.1942,-3.2398;-5.7945,1.3711,.4646;-5.7276,-1.5499,-3.5156;-7.516,-.3686,.1901;-7.4906,-1.8395,-1.8021; 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 3034 GEPOL Volume 2445.6541 GEPOL Surface-area 1431.8843 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.4s) Overall time for CPCM initialization 0.5s -1079.75057743 2078.36127053 -3158.11184796 -5596.29406088 2438.18221292 -0.02424411 -2154.60748063 1074.85690320 2.00455286 91.000203307970 91.000203307970 182.000406615940 -106.461153696417 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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22.3317 22.5627 22.7576 22.8251 23.0745 23.2913 23.3710 23.4829 23.5455 23.6817 24.0264 24.0760 24.1462 24.2408 24.4514 24.5170 24.7733 24.9777 25.0542 25.1337 25.3353 25.4183 25.5785 25.6910 25.8468 26.0701 26.2938 26.3623 26.4762 26.6694 27.0078 27.1769 27.2081 27.2533 27.4983 27.7777 28.0396 28.0847 28.2487 28.2682 28.3922 28.4896 28.6659 28.7714 28.8189 28.9525 29.0477 29.1108 29.2903 29.3500 29.5271 29.5779 29.6168 29.7683 29.8354 30.0375 30.1713 30.2007 30.3233 30.5661 30.5933 30.8711 30.9364 31.1515 31.2017 31.3216 31.4724 31.6326 31.8432 31.9320 31.9993 32.0241 32.1320 32.2277 32.4178 32.5336 32.7055 32.9403 33.0612 33.0871 33.1917 33.4409 33.5137 33.6497 33.7831 34.0445 34.0780 34.2376 34.4618 34.5317 34.7625 34.8945 35.0012 35.0487 35.2454 35.4465 35.5918 35.7177 35.8690 35.9933 36.1704 36.2583 36.3719 36.6498 36.7571 36.8727 37.0274 37.1039 37.3416 37.4850 37.6411 37.7576 37.7941 37.9568 38.0637 38.2411 38.2446 38.5062 38.5827 38.6930 38.9518 38.9760 39.1574 39.1951 39.4721 39.5095 39.6958 39.7259 39.8439 40.0097 40.0584 40.1998 40.2997 40.4314 40.4961 40.5222 40.5675 40.9104 41.0944 41.3044 41.3947 41.5344 41.5718 41.7557 41.8497 42.1217 42.3164 42.4963 42.5831 42.6660 42.8402 43.1196 43.2368 43.3062 43.3465 43.5065 43.5220 43.5608 43.6812 43.7297 44.0193 44.0990 44.1579 44.1778 44.4064 44.5318 44.6554 44.7719 44.8912 45.0093 45.1380 45.3197 45.4977 45.5579 45.6244 45.7235 45.9033 45.9666 46.1347 46.2550 46.4669 46.5990 46.8148 46.8768 46.9908 47.2052 47.3668 47.5246 47.6649 47.8771 47.9862 48.0676 48.2728 48.4844 48.6702 48.9226 48.9757 49.2105 49.4773 49.7731 49.8165 49.9754 50.1018 50.3138 50.3450 50.5377 50.8631 51.0068 51.2010 51.6631 51.9273 51.9799 52.2083 52.4014 52.5329 52.7376 52.9936 53.1761 53.7929 54.0424 54.0987 54.4736 54.7579 54.8260 55.1755 55.4990 55.7097 55.8703 56.3136 56.5805 56.6691 56.7685 57.0355 57.3158 57.6766 57.8115 58.0531 58.1870 58.4383 58.5447 58.6489 58.8138 58.9689 59.3204 59.4729 59.7227 59.9359 60.0024 60.6553 60.7852 61.1215 61.4938 61.5862 62.0191 62.3629 62.5420 62.8642 63.0272 63.1851 63.6103 63.8116 63.9838 64.2132 64.3396 64.6875 64.7530 64.9599 65.2074 65.2970 65.6275 66.2197 66.3476 66.7254 67.1879 67.3208 67.3654 67.4570 67.7924 67.9603 68.2739 68.7901 69.1091 69.4515 69.7822 69.8869 70.4608 70.5989 70.8148 70.9676 71.1081 71.2944 71.7154 71.8343 71.9185 72.2576 72.3836 72.7204 72.8966 73.0651 73.2320 73.5313 73.6141 73.7988 73.8204 74.0933 74.3759 74.5068 74.8775 74.9431 75.2878 75.3455 75.6408 75.9303 75.9806 76.0798 76.2565 76.4202 76.6326 76.7231 77.0029 77.1927 77.3458 77.5639 77.7650 77.8201 77.8311 78.1309 78.1901 78.3698 78.3927 78.6581 78.6994 78.8708 78.9359 78.9972 79.3393 79.4473 79.4902 79.6324 79.8032 79.8391 80.0084 80.1473 80.2820 80.5384 80.6052 80.8919 80.9741 81.0014 81.2298 81.4024 81.5426 81.6319 81.7261 81.9250 82.0825 82.2316 82.2832 82.3816 82.4624 82.7038 82.9063 83.0279 83.1074 83.4327 83.5131 83.6570 83.7683 83.8540 84.0082 84.1864 84.2717 84.5245 84.5711 84.6610 84.8268 84.8602 84.9657 85.1417 85.2371 85.2968 85.3532 85.7008 85.7780 85.9318 85.9583 86.0806 86.0985 86.2655 86.3889 86.4509 86.6204 86.7110 86.7738 87.0274 87.0333 87.1808 87.3662 87.4278 87.5614 87.7234 87.7907 87.8912 88.1829 88.2011 88.3821 88.4739 88.6590 88.7810 88.9221 88.9837 89.1118 89.1387 89.4269 89.4706 89.6118 89.7528 89.8875 89.9736 90.0477 90.3052 90.4874 90.6773 90.7465 90.8777 90.9826 91.1122 91.4575 91.5298 91.6068 91.8048 91.9276 92.0669 92.3039 92.4090 92.4527 92.5097 92.6527 92.7132 93.0200 93.0885 93.1075 93.2332 93.4858 93.6776 93.7397 93.8595 93.8823 94.0141 94.0997 94.2906 94.3213 94.4396 94.5354 94.7467 94.8693 95.0474 95.1498 95.3510 95.4053 95.4757 95.5532 95.6257 95.7078 96.0219 96.1508 96.3200 96.6793 96.7078 96.9310 97.0581 97.2574 97.3355 97.4398 97.5139 97.6480 97.7418 97.8522 97.9479 98.0722 98.3158 98.4010 98.4110 98.5734 98.8960 98.9931 99.0443 99.2520 99.3217 99.4904 99.5805 99.7033 99.8897 100.0569 100.1490 100.2975 100.5315 100.6147 100.7697 100.8570 100.9945 101.2015 101.3796 101.3996 101.7792 101.9283 102.0496 102.2366 102.3543 102.5459 102.6621 102.7453 102.8531 103.0239 103.1767 103.2603 103.4012 103.5307 103.7654 103.7928 104.0802 104.3540 104.3615 104.6009 104.7728 105.0405 105.2229 105.3579 105.4223 105.6941 105.9192 105.9211 106.0635 106.4008 106.4546 106.6552 106.8088 106.9810 107.0214 107.1178 107.1962 107.3238 107.4004 107.6913 107.8045 108.0746 108.2087 108.3634 108.5740 108.6919 108.8645 109.0119 109.1575 109.2969 109.3190 109.5757 109.6268 109.7014 109.8243 110.0005 110.2267 110.3252 110.5049 110.6577 110.7375 110.9421 111.0555 111.1374 111.1952 111.4004 111.6048 111.7719 111.8336 111.9829 112.0863 112.2877 112.5286 112.5806 112.6873 112.8623 112.9189 113.1595 113.3634 113.6153 113.8079 114.0584 114.1214 114.2554 114.3697 114.5736 114.6580 114.8258 114.9979 115.2095 115.3346 115.5741 115.6149 115.7747 115.8893 115.9021 116.0398 116.1687 116.2082 116.3219 116.6494 116.7456 116.8518 116.9594 116.9891 117.2635 117.3692 117.4531 117.6372 117.7611 118.0959 118.1706 118.2805 118.4199 118.4757 118.5272 118.6392 118.7673 118.8813 119.0012 119.0908 119.1731 119.5635 119.7611 119.8721 120.1316 120.3719 120.5278 120.5777 120.6982 120.7287 120.7965 121.2710 121.3104 121.3637 121.9180 122.0829 122.2483 122.3916 122.5752 122.8503 123.0611 123.4718 123.6065 123.7254 123.9392 124.0931 124.3009 124.5208 124.7544 125.1021 125.2854 125.5358 125.7648 125.8685 126.1826 126.6208 126.7659 126.8647 127.3143 127.4556 127.7837 128.0211 128.6580 128.7994 128.9117 129.1140 129.1551 129.5343 129.5838 129.6977 129.8210 130.0278 130.1877 130.2635 130.3787 130.5653 130.7945 130.9248 131.1837 131.5005 131.6797 131.7601 132.0508 132.2674 132.3193 132.7551 132.8876 133.1622 133.2107 133.3487 133.5695 133.7879 133.9400 134.1406 134.5001 134.7426 134.8779 134.9262 135.3178 135.6709 135.8238 136.0340 136.1687 136.7343 136.8470 137.1111 137.5896 137.6404 137.9069 138.1409 138.6455 138.8868 139.1355 139.2354 139.6711 140.0209 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1.0050 1.0008 1.0073 0.9967 0.9966 1.0060 0.9983 0.9994 1.0102 0.9959 1.0024 1.0078 1.0037 1.0091 1.0045 1.0035 0.9910 0.9909 0.9901 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 1.1669 0.8630 1.8376 1.1304 1.0502 0.9584 0.8944 0.9241 0.9389 0.8937 0.9523 1.0113 0.9904 1.0305 0.9900 0.9994 0.9903 0.9949 0.9934 0.9834 1.8484 0.9995 0.9618 0.9569 0.9995 0.9829 0.9800 1.0037 0.9828 0.9825 0.8722 1.0287 0.9852 1.2203 1.6707 1.6552 0.9539 0.9673 0.9502 0.8574 0.9862 1.0176 1.3580 1.3577 1.4312 0.9934 1.4439 0.9952 1.4130 0.9822 1.3985 0.9827 0.9789 0 9 0 13 1 9 2 16 2 17 3 4 3 5 3 6 3 7 4 5 4 8 4 25 5 9 5 26 6 27 6 28 6 29 7 30 7 31 7 32 8 10 8 33 10 11 10 12 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 -0.023313594 -1079.773891026550 23.99499 -24.26780 -0.27281 -6.27716 5.35316 -0.92399 1.49466 -1.87069 -0.37603 1.03421 2.62874