Gaussian 16 GINC-EXP-12-55 WTGUO Title Card Required ES64L-G16RevC.01 20-Nov-2022 Gaussian 16 3-Jul-2019 ES64L-G16RevC.01 30 30 55 55 285 (5D, 7F) def2SVP 84 84 C1[X(C13H15O2)] C1[X(C13H15O2)] RPBE1PBE def2SVP FOpt #p opt freq scrf=(smd,solvent=thf) def2svp em=gd3bj pbe1pbe 188.13789999999995 -1 1 AuxInfo=1/0/N:16,13,15,14,10,9,6,7,5,1,11,8,4,12,2/CRV:5.3,6.3,7.3,9.3,10.3,14.1,15.1/rA:30C3O1HCC3C3CCC3C3CO1CCCCHHHHHHHHHHHHHH/rB:s1;;;s4;s5;s1s3s4;s4s7;s8;s9;s1s6s10;s5;s11;s4;s8;s6;s9;s10;s13;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 Output=6_anion.log nprocshared=16 mem=32GB #p opt freq scrf=(smd,solvent=thf) def2svp em=gd3bj pbe1pbe 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=43,7=101,11=2,25=1,30=1,70=32201,71=1,72=20,74=-13,124=41/1,2,3 4//1 5/5=2,38=5,53=20/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=43,7=101,11=2,25=1,30=1,70=32205,71=1,72=20,74=-13,124=41/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=20/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Title Card Required 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 12 16 1 12 12 12 12 12 12 12 12 16 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.0000000 15.9949146 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /cm/shared/apps/spack/cpu/opt/spack/linux-centos8-zen/gcc-8.3.1/gaussian-16.C.01-po5bqktfeugvmjyga3v7eigbecnokxng/g16/l101.exe) 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 1 1 1 3 4 4 4 4 5 5 6 6 7 8 8 9 9 10 10 11 13 13 13 14 14 14 15 15 15 16 16 16 2 7 11 7 5 7 8 14 6 12 11 16 8 9 15 10 17 11 18 13 19 20 21 22 23 24 25 26 27 28 29 30 1.2122 1.4752 1.5289 1.0928 1.5046 1.5212 1.5287 1.5069 1.5226 1.2118 1.5627 1.5179 1.5184 1.49 1.5081 1.3364 1.0939 1.5122 1.0939 1.519 1.099 1.0995 1.0994 1.1008 1.0995 1.0969 1.1016 1.1011 1.0969 1.1012 1.0982 1.0981 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 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 2 2 7 5 5 5 7 8 4 4 6 5 5 11 1 1 1 3 3 4 4 7 7 9 8 8 10 9 9 11 1 1 1 6 6 10 11 11 11 19 19 20 4 4 4 22 22 23 8 8 8 25 25 26 6 6 6 28 28 29 1 1 1 4 4 4 4 4 5 5 5 6 6 6 7 7 7 7 7 8 8 8 8 8 9 9 9 10 10 10 11 11 11 11 11 11 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 7 11 11 7 8 14 14 14 6 12 12 11 16 16 3 4 8 4 8 9 15 9 15 15 10 17 17 11 18 18 6 10 13 10 13 13 19 20 21 20 21 21 22 23 24 23 24 24 25 26 27 26 27 27 28 29 30 29 30 30 122.7808 122.8013 114.4151 117.6555 116.3319 113.3986 119.7567 119.9658 119.0216 119.5706 121.3214 111.7324 111.3284 114.4041 115.5542 118.1761 116.5237 117.2447 117.8207 117.8978 119.2694 115.7753 118.9763 114.3905 122.4263 116.8041 120.7683 120.7463 121.008 118.1706 105.1316 108.5886 110.3503 108.2618 112.1614 112.0533 110.8928 111.2389 110.1525 108.6296 108.1363 107.6779 110.1981 110.431 111.8445 107.6993 107.8035 108.7342 110.5815 109.6098 112.6559 107.8252 108.3205 107.6898 111.1225 109.6347 111.4662 107.5929 108.5526 108.3518 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 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 2 2 2 11 11 11 2 2 2 7 7 7 7 7 8 8 14 14 5 5 14 14 5 5 14 14 5 5 5 7 7 7 8 8 8 4 4 12 12 5 5 5 16 16 16 5 5 5 11 11 11 1 1 3 3 4 4 7 7 15 15 4 4 4 7 7 7 9 9 9 8 8 17 17 9 9 9 18 18 18 1 1 1 6 6 6 10 10 10 1 1 1 1 1 1 1 1 1 1 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 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 7 7 7 7 7 7 11 11 11 11 11 11 5 5 5 5 5 5 7 7 7 7 8 8 8 8 14 14 14 14 14 14 14 14 14 6 6 6 6 11 11 11 11 11 11 16 16 16 16 16 16 8 8 8 8 9 9 9 9 9 9 15 15 15 15 15 15 15 15 15 10 10 10 10 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 3 4 8 3 4 8 6 10 13 6 10 13 6 12 6 12 6 12 1 3 1 3 9 15 9 15 22 23 24 22 23 24 22 23 24 11 16 11 16 1 10 13 1 10 13 28 29 30 28 29 30 9 15 9 15 10 17 10 17 10 17 25 26 27 25 26 27 25 26 27 11 18 11 18 1 6 13 1 6 13 19 20 21 19 20 21 19 20 21 -0.2143 146.0657 -144.9801 -179.6175 -33.3375 35.6167 -116.8238 127.4911 4.3126 62.5792 -53.1059 -176.2844 -0.1495 -176.814 -68.0686 115.2669 146.7057 -29.9588 0.2608 145.9747 -144.4285 1.2853 2.925 -143.4177 145.753 -0.5897 -54.8408 64.0232 -174.7395 91.2519 -149.884 -28.6468 161.319 -79.8169 41.4203 31.5952 160.8761 -151.8008 -22.5199 -60.5524 55.3579 179.5053 171.7997 -72.2899 51.8575 -71.0527 47.7537 167.7204 56.8009 175.6074 -64.426 -0.1641 142.1718 -144.1128 -1.7769 50.7445 -129.6671 -17.2571 162.3314 -161.318 18.2705 80.8292 -160.4265 -40.5417 150.5324 -90.7233 29.1614 -66.6359 52.1084 171.9932 -3.2 -179.9919 177.2275 0.4355 37.6659 -75.9741 159.8139 -145.4531 100.9069 -23.3051 175.7178 -63.271 56.048 -67.4296 53.5816 172.9006 54.5805 175.5917 -65.0893 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 300 A 285 A 480 300 1046.8982380774 30 1.00e+00 60 F IExCor= 1009 DFT=T Ex+Corr=PBE1PBE ExCW=0 ScaHFX= 0.250000 ScaDFX= 0.750000 0.750000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Berny optimization. local minimum Step number 15 out of a maximum of 180 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00082 0.00216 0.00405 0.00657 0.00669 0.01151 0.01214 0.01243 0.01645 0.01859 0.02008 0.02169 0.02659 0.02984 0.03589 0.04215 0.05131 0.05482 0.05520 0.05646 0.05688 0.05819 0.05982 0.06473 0.06798 0.07286 0.07604 0.09501 0.10481 0.11539 0.13643 0.14017 0.15062 0.15390 0.15700 0.15894 0.15931 0.15969 0.15999 0.16001 0.16006 0.16012 0.16063 0.16107 0.16189 0.16288 0.16690 0.18357 0.20953 0.22003 0.23181 0.24782 0.25120 0.27222 0.27662 0.28128 0.29290 0.30140 0.30468 0.30864 0.31588 0.31685 0.31830 0.32150 0.33382 0.33504 0.33535 0.33576 0.33594 0.33749 0.33772 0.33824 0.33872 0.33899 0.34063 0.34364 0.34384 0.34472 0.34756 0.36492 0.41819 0.54009 0.85962 0.99317 -1.95021850e-08 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 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 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 2.30322 2.78333 2.87279 2.06767 2.89717 2.86547 2.91443 2.84826 2.64150 2.38816 2.90655 2.83060 2.87528 2.80172 2.85577 2.53459 2.06960 2.86244 2.07172 2.87071 2.07895 2.07761 2.08073 2.08032 2.07728 2.07545 2.08384 2.08305 2.07398 2.10017 2.08144 2.09114 2.14078 2.15140 1.99081 2.05946 2.11113 1.95797 2.05781 2.07276 2.05844 2.02278 2.20161 2.07722 2.06948 2.09069 2.01803 2.01970 2.04148 2.06695 2.06200 2.06725 2.09645 2.02774 2.06095 1.98907 2.12157 2.04546 2.11350 2.10482 2.11128 2.06056 1.84745 1.91051 1.92009 1.84076 1.98574 1.95436 1.93624 1.93600 1.93235 1.89298 1.88656 1.87779 1.91622 1.91702 1.97173 1.86183 1.88485 1.90871 1.93406 1.92212 1.97042 1.87692 1.88235 1.87451 1.99497 1.86649 1.99790 1.86378 1.84982 1.88424 -0.03753 2.48959 -2.58929 3.12489 -0.63117 0.57313 -2.05391 2.25308 0.09856 1.06671 -0.90948 -3.06401 0.26060 -2.85403 -0.95451 2.21405 2.74087 -0.37376 -0.05869 2.45050 -2.50119 0.00799 0.02192 -2.56163 2.57453 -0.00902 -0.97191 1.07016 -3.07687 1.50905 -2.73207 -0.59592 2.71005 -1.53107 0.60509 0.24176 3.06241 -2.92987 -0.10922 -0.87827 1.14586 -2.98871 2.58823 -1.67083 0.47779 -1.81964 0.23913 2.32521 0.99847 3.05724 -1.13986 0.05315 2.51122 -2.48344 -0.02536 0.84227 -2.22192 -0.33850 2.88050 -2.82437 0.39463 1.45927 -2.74938 -0.65432 2.66290 -1.54575 0.54930 -1.14769 0.92685 3.02190 -0.04455 -3.06127 3.01663 -0.00008 0.66345 -1.31708 2.79762 -2.59946 1.70319 -0.46530 3.13714 -1.04092 1.04253 -1.07676 1.02836 3.11181 1.00845 3.11358 -1.08615 0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00001 -0.00001 0.00001 -0.00002 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00002 0.00000 0.00005 -0.00001 0.00005 0.00001 -0.00001 -0.00002 -0.00003 -0.00000 -0.00002 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00002 0.00002 -0.00003 -0.00004 0.00009 -0.00000 0.00003 -0.00002 -0.00001 -0.00001 0.00004 0.00000 0.00000 -0.00000 -0.00000 -0.00002 -0.00004 0.00009 0.00002 -0.00003 -0.00002 -0.00001 -0.00001 0.00001 0.00002 0.00002 -0.00004 -0.00001 0.00003 0.00002 -0.00000 -0.00001 -0.00002 -0.00000 0.00001 -0.00001 0.00001 -0.00001 -0.00001 0.00002 -0.00006 0.00004 -0.00000 -0.00002 0.00002 -0.00000 -0.00001 0.00002 -0.00000 0.00002 -0.00002 0.00003 -0.00002 -0.00001 -0.00002 0.00000 0.00002 0.00003 0.00004 0.00006 0.00001 0.00001 0.00004 0.00002 0.00001 0.00001 0.00004 0.00004 0.00003 -0.00001 -0.00001 0.00001 0.00000 -0.00016 -0.00016 -0.00002 -0.00002 0.00013 0.00013 -0.00008 -0.00012 0.00006 0.00001 -0.00037 -0.00040 -0.00039 -0.00051 -0.00054 -0.00052 -0.00051 -0.00054 -0.00053 0.00006 0.00013 0.00006 0.00013 -0.00007 -0.00005 -0.00008 -0.00013 -0.00011 -0.00014 0.00019 0.00016 0.00017 0.00025 0.00022 0.00023 -0.00007 -0.00013 -0.00005 -0.00011 0.00000 0.00007 0.00002 0.00009 0.00008 0.00015 -0.00003 -0.00004 -0.00006 -0.00002 -0.00004 -0.00006 -0.00007 -0.00008 -0.00010 0.00007 0.00008 -0.00001 0.00000 -0.00009 -0.00009 -0.00006 -0.00010 -0.00010 -0.00007 0.00021 0.00023 0.00022 0.00020 0.00022 0.00022 0.00017 0.00019 0.00019 0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00005 -0.00002 0.00004 -0.00001 0.00003 -0.00002 0.00002 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00002 0.00001 0.00000 -0.00000 0.00002 -0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00001 0.00001 0.00003 0.00001 0.00008 -0.00013 -0.00002 -0.00004 0.00006 0.00000 -0.00004 0.00003 0.00000 -0.00000 0.00002 -0.00002 0.00001 -0.00002 -0.00011 0.00001 0.00005 0.00005 -0.00001 -0.00000 0.00001 0.00001 0.00001 -0.00003 -0.00001 0.00003 -0.00000 -0.00004 0.00001 0.00001 0.00002 -0.00001 -0.00001 0.00003 -0.00002 -0.00001 -0.00002 0.00006 -0.00005 0.00001 0.00002 -0.00003 0.00003 -0.00000 -0.00004 0.00000 -0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00001 0.00000 -0.00007 -0.00009 -0.00011 -0.00001 -0.00003 -0.00005 0.00009 0.00012 0.00009 0.00003 0.00006 0.00003 0.00007 0.00007 0.00003 0.00003 0.00024 0.00025 -0.00002 -0.00004 -0.00017 -0.00019 -0.00001 0.00012 -0.00018 -0.00005 -0.00012 -0.00008 -0.00010 0.00002 0.00006 0.00004 0.00003 0.00007 0.00005 -0.00007 -0.00009 -0.00008 -0.00010 0.00002 0.00004 0.00003 0.00006 0.00008 0.00006 0.00008 0.00008 0.00008 0.00005 0.00005 0.00005 -0.00000 0.00018 -0.00005 0.00013 0.00004 0.00008 0.00005 0.00008 -0.00013 -0.00010 -0.00003 -0.00001 -0.00003 -0.00005 -0.00003 -0.00004 0.00011 0.00013 0.00012 -0.00003 0.00003 -0.00007 -0.00000 -0.00001 0.00000 0.00002 -0.00007 -0.00006 -0.00004 0.00018 0.00022 0.00020 0.00017 0.00021 0.00019 0.00013 0.00018 0.00015 0.00001 0.00002 -0.00003 0.00000 0.00005 -0.00002 -0.00001 -0.00002 0.00003 -0.00003 0.00000 -0.00002 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00002 0.00000 0.00001 0.00000 -0.00001 0.00001 0.00001 0.00001 0.00000 -0.00000 0.00000 0.00001 0.00001 0.00001 -0.00001 -0.00000 0.00002 -0.00001 -0.00001 0.00005 -0.00002 0.00004 -0.00004 -0.00002 -0.00002 0.00003 -0.00001 -0.00005 0.00007 0.00001 -0.00000 0.00002 -0.00002 -0.00001 -0.00006 -0.00002 0.00002 0.00002 0.00003 -0.00003 -0.00001 0.00003 0.00003 0.00003 -0.00006 -0.00002 0.00006 0.00001 -0.00004 -0.00000 -0.00001 0.00001 0.00000 -0.00002 0.00004 -0.00002 -0.00002 0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00003 -0.00002 -0.00002 -0.00000 0.00001 -0.00001 0.00003 -0.00003 -0.00002 -0.00002 0.00001 0.00002 -0.00003 -0.00006 -0.00005 0.00000 -0.00002 -0.00001 0.00010 0.00014 0.00010 0.00007 0.00010 0.00006 0.00006 0.00006 0.00004 0.00004 0.00008 0.00008 -0.00004 -0.00006 -0.00005 -0.00006 -0.00008 0.00000 -0.00012 -0.00004 -0.00049 -0.00048 -0.00049 -0.00049 -0.00048 -0.00049 -0.00048 -0.00047 -0.00048 -0.00001 0.00003 -0.00002 0.00003 -0.00005 -0.00001 -0.00005 -0.00007 -0.00003 -0.00008 0.00027 0.00025 0.00025 0.00030 0.00028 0.00028 -0.00008 0.00005 -0.00010 0.00002 0.00005 0.00015 0.00007 0.00017 -0.00005 0.00006 -0.00006 -0.00006 -0.00009 -0.00007 -0.00007 -0.00010 0.00004 0.00005 0.00002 0.00004 0.00011 -0.00007 0.00000 -0.00010 -0.00009 -0.00005 -0.00017 -0.00015 -0.00011 0.00039 0.00045 0.00042 0.00038 0.00043 0.00041 0.00031 0.00037 0.00034 2.30323 2.78334 2.87276 2.06767 2.89722 2.86545 2.91442 2.84824 2.64153 2.38814 2.90655 2.83058 2.87528 2.80173 2.85577 2.53459 2.06960 2.86242 2.07172 2.87072 2.07895 2.07760 2.08073 2.08033 2.07729 2.07545 2.08384 2.08305 2.07399 2.10018 2.08145 2.09113 2.14077 2.15142 1.99079 2.05945 2.11118 1.95795 2.05784 2.07272 2.05842 2.02276 2.20165 2.07720 2.06944 2.09075 2.01804 2.01970 2.04149 2.06693 2.06199 2.06719 2.09643 2.02777 2.06096 1.98910 2.12155 2.04545 2.11353 2.10485 2.11131 2.06050 1.84743 1.91057 1.92010 1.84071 1.98574 1.95435 1.93625 1.93600 1.93233 1.89302 1.88654 1.87778 1.91622 1.91702 1.97172 1.86184 1.88485 1.90871 1.93409 1.92210 1.97041 1.87692 1.88236 1.87450 1.99500 1.86646 1.99788 1.86377 1.84984 1.88426 -0.03757 2.48954 -2.58934 3.12489 -0.63119 0.57312 -2.05381 2.25322 0.09866 1.06678 -0.90938 -3.06394 0.26065 -2.85397 -0.95447 2.21409 2.74095 -0.37368 -0.05873 2.45044 -2.50124 0.00793 0.02184 -2.56163 2.57441 -0.00905 -0.97240 1.06968 -3.07736 1.50856 -2.73255 -0.59640 2.70958 -1.53154 0.60461 0.24175 3.06244 -2.92989 -0.10919 -0.87832 1.14585 -2.98877 2.58815 -1.67086 0.47771 -1.81937 0.23938 2.32545 0.99878 3.05752 -1.13959 0.05307 2.51127 -2.48354 -0.02534 0.84232 -2.22177 -0.33843 2.88067 -2.82441 0.39469 1.45921 -2.74944 -0.65441 2.66282 -1.54582 0.54921 -1.14765 0.92690 3.02192 -0.04451 -3.06115 3.01656 -0.00008 0.66335 -1.31717 2.79757 -2.59963 1.70303 -0.46541 3.13753 -1.04047 1.04295 -1.07639 1.02879 3.11222 1.00876 3.11394 -1.08582 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000018 0.000003 0.001117 0.000180 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -9.621383e-09 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 1 1 1 3 4 4 4 4 5 5 6 6 7 8 8 9 9 10 10 11 13 13 13 14 14 14 15 15 15 16 16 16 2 7 11 7 5 7 8 14 6 12 11 16 8 9 15 10 17 11 18 13 19 20 21 22 23 24 25 26 27 28 29 30 1.2188 1.4729 1.5202 1.0942 1.5331 1.5163 1.5422 1.5072 1.3978 1.2638 1.5381 1.4979 1.5215 1.4826 1.5112 1.3412 1.0952 1.5147 1.0963 1.5191 1.1001 1.0994 1.1011 1.1009 1.0993 1.0983 1.1027 1.1023 1.0975 1.1114 1.1015 1.1066 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 7 5 5 5 7 8 4 4 6 5 5 11 1 1 1 3 3 4 4 7 7 9 8 8 10 9 9 11 1 1 1 6 6 10 11 11 11 19 19 20 4 4 4 22 22 23 8 8 8 25 25 26 6 6 6 28 28 29 1 1 1 4 4 4 4 4 5 5 5 6 6 6 7 7 7 7 7 8 8 8 8 8 9 9 9 10 10 10 11 11 11 11 11 11 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 7 11 11 7 8 14 14 14 6 12 12 11 16 16 3 4 8 4 8 9 15 9 15 15 10 17 17 11 18 18 6 10 13 10 13 13 19 20 21 20 21 21 22 23 24 23 24 24 25 26 27 26 27 27 28 29 30 29 30 30 122.6575 123.2663 114.0648 117.9985 120.9588 112.1834 117.9036 118.7606 117.9397 115.8966 126.1432 119.0157 118.5726 119.7875 115.6248 115.7202 116.968 118.4272 118.1442 118.4447 120.118 116.1811 118.0835 113.9652 121.5572 117.1962 121.0946 120.5973 120.9675 118.0614 105.851 109.4639 110.0131 105.4675 113.7745 111.9765 110.9382 110.9246 110.7153 108.4597 108.0922 107.5897 109.7912 109.8374 112.9719 106.6752 107.994 109.3612 110.8133 110.1294 112.897 107.5394 107.8505 107.4015 114.3032 106.942 114.4715 106.7869 105.9871 107.959 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 2 11 11 11 2 2 2 7 7 7 7 7 8 8 14 14 5 5 14 14 5 5 14 14 5 5 5 7 7 7 8 8 8 4 4 12 12 5 5 5 16 16 16 5 5 5 11 11 11 1 1 3 3 4 4 7 7 15 15 4 4 4 7 7 7 9 9 9 8 8 17 17 9 9 9 18 18 18 1 1 1 6 6 6 10 10 1 1 1 1 1 1 1 1 1 1 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 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 11 11 7 7 7 7 7 7 11 11 11 11 11 11 5 5 5 5 5 5 7 7 7 7 8 8 8 8 14 14 14 14 14 14 14 14 14 6 6 6 6 11 11 11 11 11 11 16 16 16 16 16 16 8 8 8 8 9 9 9 9 9 9 15 15 15 15 15 15 15 15 15 10 10 10 10 11 11 11 11 11 11 13 13 13 13 13 13 13 13 3 4 8 3 4 8 6 10 13 6 10 13 6 12 6 12 6 12 1 3 1 3 9 15 9 15 22 23 24 22 23 24 22 23 24 11 16 11 16 1 10 13 1 10 13 28 29 30 28 29 30 9 15 9 15 10 17 10 17 10 17 25 26 27 25 26 27 25 26 27 11 18 11 18 1 6 13 1 6 13 19 20 21 19 20 21 19 20 -2.1505 142.6432 -148.3553 179.0427 -36.1636 32.8379 -117.6805 129.0921 5.6469 61.1181 -52.1094 -175.5546 14.9312 -163.524 -54.6892 126.8556 157.0403 -21.4149 -3.3625 140.4031 -143.3078 0.4577 1.2558 -146.7707 147.5099 -0.5166 -55.6861 61.3156 -176.2918 86.4621 -156.5362 -34.1436 155.2747 -87.7237 34.6689 13.8518 175.4631 -167.8691 -6.2578 -50.3213 65.653 -171.2406 148.2944 -95.7313 27.3751 -104.2579 13.701 133.2246 57.2083 175.1672 -65.3093 3.0453 143.8826 -142.2904 -1.4531 48.2584 -127.3064 -19.3946 165.0406 -161.8243 22.6109 83.61 -157.5279 -37.49 152.5729 -88.565 31.4729 -65.7578 53.1044 173.1422 -2.5526 -175.3977 172.8403 -0.0048 38.0131 -75.4633 160.2918 -148.9382 97.5854 -26.6595 179.745 -59.6404 59.7327 -61.6939 58.9207 178.2938 57.7802 178.3948 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 Grimme-D3(BJ) -0.0351006706 PCM SMD-Coulomb. Total charges None On-the-fly selection TetraHydroFuran 7.425700 1.974025 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 0 188.13789999999995 AuxInfo=1/0/N:16,13,15,14,10,9,6,7,5,1,11,8,4,12,2/CRV:5.3,6.3,7.3,9.3,10.3,14.1,15.1/rA:30C3O1HCC3C3CCC3C3CO1CCCCHHHHHHHHHHHHHH/rB:s1;;;s4;s5;s1s3s4;s4s7;s8;s9;s1s6s10;s5;s11;s4;s8;s6;s9;s10;s13;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 1.212237 0.000000 2.181979 2.603115 0.000000 2.570849 3.636730 2.242773 0.000000 2.916288 4.015509 3.501945 1.504631 0.000000 2.455006 3.380486 3.932955 2.608635 1.522576 0.000000 1.475181 2.362650 1.092763 1.521167 2.588932 2.949393 0.000000 2.546002 3.611931 2.246848 1.528707 2.577093 3.289623 1.518372 0.000000 2.825164 3.914316 3.463857 2.586265 2.894276 3.147216 2.548197 1.490046 0.000000 2.469486 3.462207 3.920712 3.115570 2.918055 2.491909 2.900916 2.478284 1.336439 0.000000 1.528949 2.411500 3.507724 2.932590 2.553861 1.562687 2.525554 2.909679 2.477716 1.512170 0.000000 4.126759 5.207833 4.519384 2.351999 1.211784 2.388492 3.694693 3.457326 3.723413 3.839778 3.645067 0.000000 2.502111 2.745504 4.680459 4.419576 3.904616 2.557413 3.842358 4.357948 3.739847 2.513784 1.519046 4.892128 0.000000 3.868456 4.761896 2.789853 1.506937 2.517071 3.852144 2.619205 2.628514 3.892640 4.593146 4.403119 2.791713 5.856443 0.000000 3.832566 4.719387 2.781658 2.620233 3.873423 4.776081 2.607379 1.508094 2.520021 3.755032 4.375986 4.529574 5.768254 3.018774 0.000000 3.851008 4.695772 5.430162 3.887336 2.510651 1.517886 4.413093 4.479648 3.975967 3.140119 2.589600 2.771541 3.020108 5.018487 5.921297 0.000000 3.888825 4.928273 4.319717 3.427110 3.739547 4.103841 3.515012 2.210623 1.093890 2.116224 3.483798 4.356210 4.612779 4.537928 2.661709 4.712809 0.000000 3.415049 4.262036 4.987319 4.156834 3.769074 3.164737 3.986510 3.479068 2.118741 1.093936 2.246165 4.532916 2.678234 5.612514 4.621047 3.350895 2.459599 0.000000 3.465731 3.836265 5.604304 5.017975 4.259710 2.874065 4.676384 4.939402 4.066650 2.737640 2.169329 5.067536 1.098993 6.466371 6.352078 2.762906 4.784734 2.500637 0.000000 2.789545 2.729146 4.902279 4.768412 4.197656 2.769089 4.185312 4.983248 4.609929 3.471954 2.174041 5.149301 1.099493 6.084271 6.417800 3.240617 5.561704 3.742525 1.785685 0.000000 2.714795 2.666968 4.795677 4.949972 4.706330 3.508667 4.088424 4.604236 3.945625 2.808923 2.160298 5.770914 1.099394 6.399827 5.870592 4.074114 4.731353 2.877135 1.780068 1.775297 0.000000 4.166225 4.921198 3.226165 2.151292 2.739350 3.935913 3.138619 3.526881 4.719366 5.203242 4.721313 2.882734 6.059901 1.100785 4.072330 5.064209 5.467766 6.220100 6.690480 6.095276 6.694094 0.000000 4.707269 5.703581 3.773117 2.153234 2.813099 4.308936 3.487004 3.062399 4.133768 4.946339 4.990743 2.667011 6.477020 1.099468 3.247382 5.234443 4.571569 5.868306 6.948485 6.790350 7.072789 1.776643 0.000000 4.157205 4.903221 2.515644 2.168917 3.472297 4.687796 2.747711 2.818414 4.259980 5.101057 4.970391 3.869248 6.404883 1.096917 2.742400 5.961729 4.834498 6.151378 7.114767 6.646190 6.798159 1.775762 1.785150 0.000000 4.682759 5.672288 3.771260 3.063951 4.105616 5.177792 3.483559 2.157780 2.845821 4.164466 4.972478 4.496140 6.401270 3.253485 1.101633 6.132393 2.660151 4.907982 6.845499 7.104144 6.590653 4.354208 3.098651 3.112323 0.000000 4.102052 4.843127 3.207395 3.514521 4.700077 5.374149 3.115135 2.145117 2.720920 3.902609 4.671902 5.454318 5.908306 4.070610 1.101145 6.499874 2.665511 4.640326 6.496766 6.639735 5.810983 5.089738 4.348404 3.714815 1.780108 0.000000 4.141549 4.882353 2.517438 2.814813 4.255741 5.250469 2.747598 2.179897 3.474003 4.605738 4.960156 4.881737 6.355705 2.746778 1.096903 6.516117 3.743797 5.554187 7.048984 6.867384 6.464927 3.721119 3.109790 2.096745 1.782263 1.774756 0.000000 4.240062 5.185837 5.785289 4.142761 2.866052 2.172893 4.708188 4.434011 3.630204 2.826458 2.834624 3.035483 3.304737 5.332027 5.785650 1.101246 4.154854 2.771553 2.830090 3.821737 4.227418 5.573145 5.400703 6.249539 5.866269 6.286625 6.527740 0.000000 4.605455 5.464391 5.915862 4.155443 2.658170 2.151840 4.956277 5.005783 4.692308 4.061427 3.527655 2.459375 4.054907 5.014200 6.373621 1.098243 5.383019 4.331451 3.826617 4.126213 5.127234 4.910170 5.100460 6.047421 6.478503 7.083114 6.882868 1.774821 0.000000 4.188636 4.805808 6.013480 4.754020 3.465020 2.174757 5.037372 5.286934 4.709192 3.656352 2.897415 3.814018 2.747282 5.929840 6.769817 1.098051 5.469674 3.698030 2.310029 2.760839 3.814556 5.898004 6.243288 6.830609 7.071591 7.259811 7.357933 1.785483 1.780794 0.000000 C13H15O2(1-) 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 0 188.13789999999995 AuxInfo=1/0/N:16,13,15,14,10,9,6,7,5,1,11,8,4,12,2/CRV:5.3,6.3,7.3,9.3,10.3,14.1,15.1/rA:30C3O1HCC3C3CCC3C3CO1CCCCHHHHHHHHHHHHHH/rB:s1;;;s4;s5;s1s3s4;s4s7;s8;s9;s1s6s10;s5;s11;s4;s8;s6;s9;s10;s13;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.8730486 0.6651524 0.5232515 -19.15772 -19.10169 -10.27738 -10.23302 -10.22782 -10.21764 -10.21124 -10.20860 -10.20483 -10.20145 -10.20075 -10.19988 -10.18863 -10.17461 -10.14530 -1.02027 -0.97435 -0.88762 -0.79922 -0.74455 -0.71010 -0.70407 -0.68897 -0.63980 -0.61968 -0.57908 -0.56005 -0.52831 -0.48337 -0.47391 -0.45012 -0.44369 -0.42547 -0.41698 -0.40492 -0.39849 -0.38896 -0.38616 -0.38081 -0.37244 -0.36831 -0.35883 -0.35697 -0.34987 -0.33401 -0.32894 -0.32474 -0.30414 -0.29623 -0.28398 -0.26272 -0.24317 -0.19922 -0.18253 -0.11804 0.02300 0.05459 0.08240 0.09710 0.11432 0.12300 0.12777 0.14479 0.15496 0.16317 0.16744 0.17314 0.17651 0.18337 0.18561 0.19733 0.21007 0.21843 0.22819 0.23462 0.26218 0.26652 0.28100 0.28571 0.29776 0.31304 0.31644 0.33720 0.34516 0.35296 0.36705 0.39120 0.41782 0.42515 0.44221 0.44734 0.45336 0.46293 0.48502 0.50343 0.51269 0.53464 0.53633 0.55342 0.56357 0.57250 0.57856 0.59114 0.62521 0.63065 0.64358 0.64729 0.65966 0.66550 0.67589 0.68599 0.68725 0.68781 0.69614 0.70282 0.70928 0.71247 0.71802 0.71916 0.72188 0.72536 0.73075 0.73379 0.73521 0.74113 0.75431 0.75967 0.76247 0.76683 0.76877 0.77284 0.78683 0.78826 0.79073 0.81047 0.82713 0.82928 0.85474 0.86452 0.88537 0.89600 0.90854 0.92515 0.95137 0.96745 0.97798 0.99872 1.01660 1.04346 1.05772 1.06614 1.10678 1.12815 1.14439 1.17294 1.17769 1.21067 1.26009 1.27916 1.28797 1.30219 1.35235 1.35548 1.39878 1.40040 1.42833 1.44702 1.47280 1.49083 1.50525 1.51444 1.55370 1.56936 1.57952 1.59957 1.60368 1.60909 1.61543 1.62745 1.65083 1.66427 1.69008 1.69223 1.70326 1.72002 1.73879 1.74267 1.76184 1.78632 1.79276 1.80855 1.81829 1.82703 1.83773 1.84754 1.85571 1.86242 1.87545 1.88119 1.88519 1.90106 1.90552 1.91846 1.92178 1.92628 1.94504 1.94554 1.95655 1.96246 1.96774 1.99175 1.99699 2.01500 2.03946 2.04427 2.04915 2.07386 2.08407 2.10735 2.11876 2.14547 2.15318 2.16580 2.17709 2.20218 2.21196 2.22284 2.26642 2.28847 2.30929 2.34266 2.35574 2.38872 2.39793 2.40409 2.43732 2.44746 2.45743 2.47623 2.48802 2.50520 2.52330 2.53852 2.54379 2.56690 2.58318 2.59487 2.60478 2.63143 2.64636 2.67632 2.68567 2.71505 2.74898 2.77100 2.79690 2.80203 2.81882 2.83259 2.83795 2.84833 2.86869 2.88755 2.89831 2.92014 2.94456 2.96486 2.98045 2.99921 3.00465 3.02873 3.03217 3.04254 3.04647 3.07696 3.07855 3.12620 3.16357 3.23931 3.27190 3.39849 3.46583 3.51217 3.69014 3.73851 1-A. 4.5436 -4.4616 3.3584 7.1992 -96.6970 -120.0698 -97.9200 -3.9996 -5.3111 -4.4421 8.1986 -15.1742 6.9756 -3.9996 -5.3111 -4.4421 26.3989 -34.2877 8.3110 12.0917 -7.1777 4.3844 12.7376 6.7130 10.1753 7.1648 -1846.9408 -1294.1351 -624.4556 16.8954 -3.4672 -15.3408 -19.4037 -6.6967 -7.1084 -522.4055 -407.7596 -322.4452 0.6615 -12.7541 -2.1502 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 0 188.13789999999995 AuxInfo=1/0/N:16,13,15,14,10,9,6,7,5,1,11,8,4,12,2/CRV:5.3,6.3,7.3,9.3,10.3,14.1,15.1/rA:30C3O1HCC3C3CCC3C3CO1CCCCHHHHHHHHHHHHHH/rB:s1;;;s4;s5;s1s3s4;s4s7;s8;s9;s1s6s10;s5;s11;s4;s8;s6;s9;s10;s13;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 1.218812 0.000000 2.181853 2.604339 0.000000 2.531227 3.595012 2.253023 0.000000 2.876451 3.939028 3.516583 1.533116 0.000000 2.440091 3.381548 3.920084 2.512480 1.397824 0.000000 1.472874 2.364794 1.094165 1.516341 2.613889 2.920938 0.000000 2.552842 3.635486 2.254510 1.542248 2.676120 3.205454 1.521533 0.000000 2.844534 3.952075 3.460896 2.599013 3.037253 3.077483 2.550251 1.482607 0.000000 2.477921 3.488362 3.913221 3.098838 3.003132 2.429567 2.895268 2.465455 1.341246 0.000000 1.520216 2.414385 3.496101 2.880664 2.530865 1.538079 2.511270 2.889021 2.482254 1.514740 0.000000 4.116454 5.128515 4.494642 2.374855 1.263762 2.373775 3.718456 3.623609 4.019116 4.089059 3.725904 0.000000 2.489874 2.741841 4.667095 4.363403 3.845307 2.560718 3.827152 4.341738 3.745661 2.514834 1.519116 4.932247 0.000000 3.815008 4.693516 2.767402 1.507234 2.523324 3.774738 2.590403 2.624343 3.897888 4.577126 4.351588 2.707508 5.797081 0.000000 3.839750 4.747494 2.773791 2.645986 3.981900 4.693232 2.600710 1.511208 2.510378 3.747414 4.359660 4.701769 5.758473 3.025807 0.000000 3.786752 4.546787 5.400405 3.891073 2.490056 1.497889 4.417123 4.606605 4.233336 3.378723 2.626482 2.877544 2.965085 4.993792 6.071135 0.000000 3.922537 4.992813 4.331082 3.431486 3.870094 4.004275 3.525544 2.209472 1.095185 2.124998 3.489543 4.666482 4.629196 4.535070 2.667690 4.998732 0.000000 3.435473 4.311149 4.991818 4.127046 3.821971 3.077133 3.987781 3.469369 2.124627 1.096306 2.249153 4.778183 2.690555 5.584499 4.624212 3.606799 2.470965 0.000000 3.456681 3.834389 5.595150 4.957553 4.195012 2.842185 4.665215 4.932276 4.094345 2.763300 2.170822 5.129634 1.100133 6.402413 6.358070 2.742105 4.822111 2.537465 0.000000 2.743526 2.662038 4.860744 4.695534 4.098366 2.820203 4.147359 4.951850 4.608674 3.472039 2.170114 5.107449 1.099422 6.003346 6.386960 3.070828 5.569936 3.756705 1.784650 0.000000 2.741795 2.727178 4.813378 4.921295 4.679794 3.511969 4.100196 4.606805 3.946714 2.795292 2.168732 5.843117 1.101074 6.368326 5.880625 4.046727 4.751104 2.876780 1.781854 1.775597 0.000000 4.064912 4.773053 3.130340 2.146454 2.734280 3.910999 3.066498 3.509984 4.730156 5.193063 4.663886 2.740653 5.984160 1.100858 4.053422 5.000677 5.475434 6.201749 6.618563 5.991640 6.635426 0.000000 4.654377 5.636884 3.785695 2.145833 2.778977 4.156000 3.480600 3.108470 4.181772 4.943431 4.920883 2.540353 6.392735 1.099250 3.356533 5.187466 4.621187 5.845693 6.852810 6.673519 7.030393 1.764856 0.000000 4.155541 4.908514 2.543496 2.184052 3.496677 4.638677 2.752076 2.787988 4.225249 5.072500 4.945416 3.797486 6.383959 1.098281 2.684459 5.957843 4.779763 6.113463 7.083344 6.615297 6.806695 1.779074 1.793058 0.000000 4.694755 5.702507 3.778375 3.114781 4.255093 5.095221 3.490210 2.164256 2.833267 4.155728 4.960204 4.745063 6.392251 3.305335 1.102723 6.341868 2.637621 4.897680 6.850401 7.082301 6.592361 4.402522 3.267007 3.069021 0.000000 4.113600 4.879214 3.173581 3.535775 4.816361 5.304764 3.098252 2.155314 2.727068 3.912544 4.669216 5.656126 5.914756 4.067233 1.102305 6.681816 2.716607 4.678045 6.532373 6.617874 5.833604 5.047779 4.457302 3.649201 1.778681 0.000000 4.155055 4.916798 2.524348 2.831417 4.324239 5.174444 2.748720 2.186063 3.468614 4.602117 4.946647 4.952232 6.350844 2.729551 1.097502 6.600916 3.749623 5.560842 7.052648 6.837063 6.492108 3.662749 3.190298 2.024291 1.778333 1.772905 0.000000 4.352865 5.165392 6.051966 4.488997 3.166987 2.202059 5.000699 4.923098 4.226262 3.282705 2.956061 3.522480 3.124486 5.676761 6.343223 1.111362 4.809125 3.174336 2.545994 3.493164 4.109586 5.840718 5.760891 6.614741 6.508023 6.865937 7.019853 0.000000 4.497614 5.303844 5.799580 4.036926 2.508187 2.102001 4.867523 4.990574 4.799084 4.173753 3.516615 2.374611 4.035436 4.862386 6.367993 1.101450 5.499386 4.462509 3.839507 4.057013 5.117653 4.761325 4.887965 5.912708 6.522425 7.113174 6.814859 1.776344 0.000000 4.062488 4.551677 5.844695 4.645790 3.332351 2.200326 4.943680 5.385711 5.041891 4.039216 3.012223 3.755476 2.851366 5.733918 6.884350 1.106583 5.875330 4.213470 2.614301 2.611503 3.936016 5.597418 6.047172 6.665212 7.263782 7.438239 7.358708 1.771182 1.785874 0.000000 C13H15O2(1-) 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 0 188.13789999999995 AuxInfo=1/0/N:16,13,15,14,10,9,6,7,5,1,11,8,4,12,2/CRV:5.3,6.3,7.3,9.3,10.3,14.1,15.1/rA:30C3O1HCC3C3CCC3C3CO1CCCCHHHHHHHHHHHHHH/rB:s1;;;s4;s5;s1s3s4;s4s7;s8;s9;s1s6s10;s5;s11;s4;s8;s6;s9;s10;s13;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.8610469 0.6634867 0.5202148 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 299 299 299 299 299 MxSgAt= 30 MxSgA2= 30. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 299 299 299 299 299 MxSgAt= 30 MxSgA2= 30. 1 1.78758397e+00 -1.75532997e+00 1.32129584e+00 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 6 8 1 6 6 6 6 6 6 6 6 8 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.003996590 0.012310971 0.006564840 -0.001266138 -0.007262482 -0.006070026 0.000324595 -0.001145944 -0.000278138 -0.001939056 -0.003238805 -0.000399711 -0.080837565 -0.046855941 -0.016823028 0.056385374 0.006346905 0.014376782 0.002249174 0.002407000 -0.000845753 0.000322480 0.001087739 0.003845968 0.007400388 -0.003625325 0.001837536 -0.005592221 -0.002553083 -0.004627887 0.001645750 0.004767414 -0.007223896 0.023869101 0.046578575 0.008091921 0.002219926 -0.003659280 0.000965415 0.000037073 -0.003272017 0.000248149 -0.001581065 -0.001870554 0.000530996 0.005417131 -0.009583697 -0.012309051 0.000725861 0.001418719 0.000812525 0.000025417 0.001199426 0.002016546 -0.000529331 0.000438187 0.000265359 0.000550946 0.000718554 -0.000274733 -0.001768769 -0.001781855 0.000416128 -0.000228485 0.000320281 0.000011779 -0.000645942 0.000641914 0.000007083 0.001636097 -0.000083766 -0.000716331 0.000598054 0.000115103 0.000296013 0.001270343 -0.000709273 0.000410232 0.000534199 0.000152026 -0.000187956 -0.002988288 0.003823364 0.007334497 0.000564341 0.001270946 0.000422910 -0.004402799 0.002044896 0.001301832 0.080837565 0.013431045 (Enter /cm/shared/apps/spack/cpu/opt/spack/linux-centos8-zen/gcc-8.3.1/gaussian-16.C.01-po5bqktfeugvmjyga3v7eigbecnokxng/g16/l716.exe) Closed 1 1 1 -653.737452586260 -653.737453343974 -0.000000757714 -653.737453351710 -0.000000007736 -653.737453355669 -0.000000003959 -653.737453355833 -0.000000000164 -653.737453355900 -0.000000000067 -653.737453355910 -0.000000000010 -653.737453356 7 6.470067832780e+02 -3.627510667925e+03 1.281777102905e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4294967296 LenX= 4294778490 LenY= 4294688049 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. (Enter /cm/shared/apps/spack/cpu/opt/spack/linux-centos8-zen/gcc-8.3.1/gaussian-16.C.01-po5bqktfeugvmjyga3v7eigbecnokxng/g16/l716.exe) PT7003.100S 2022-11-20T14:47:06.000 Mulliken charges: 1 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 C O H C C C C C C C C O C C C C H H H H H H H H H H H H H H 0.264902 -0.271273 0.023762 -0.231968 0.156622 -0.404761 -0.089888 -0.231601 0.023953 -0.028867 -0.342209 -0.354974 0.064245 0.059490 0.042423 0.003523 0.008171 0.019728 0.029146 0.018246 0.010038 0.041226 0.038084 0.022160 0.048712 0.043037 0.037432 -0.019715 0.014526 0.005830 -1.00000 -19.15794 -19.07624 -10.27752 -10.23072 -10.21554 -10.21355 -10.20999 -10.20769 -10.20753 -10.20325 -10.19860 -10.19458 -10.19311 -10.18086 -10.14893 -1.01731 -0.93175 -0.88203 -0.80323 -0.74568 -0.71063 -0.70127 -0.69494 -0.64373 -0.62268 -0.57890 -0.56407 -0.52965 -0.48329 -0.47732 -0.45668 -0.44181 -0.42263 -0.41633 -0.40284 -0.39473 -0.39093 -0.38203 -0.37650 -0.36769 -0.36419 -0.35955 -0.35474 -0.34888 -0.33096 -0.32808 -0.31664 -0.30343 -0.29675 -0.28172 -0.25654 -0.24152 -0.19940 -0.17201 -0.11973 0.02254 0.05266 0.09818 0.09929 0.11580 0.12286 0.12936 0.14599 0.15403 0.15916 0.16870 0.17005 0.17494 0.18315 0.19296 0.20059 0.21773 0.21820 0.22598 0.23639 0.25518 0.26503 0.27404 0.28742 0.30014 0.31403 0.31968 0.33566 0.34542 0.36071 0.36757 0.41052 0.41853 0.42531 0.43953 0.44452 0.44969 0.46730 0.48093 0.50858 0.51775 0.53085 0.53646 0.54485 0.57171 0.57548 0.58445 0.61107 0.62407 0.63273 0.64234 0.64600 0.65677 0.66653 0.67677 0.68148 0.68810 0.69100 0.69709 0.70277 0.70369 0.71186 0.71623 0.71982 0.72397 0.72500 0.72745 0.72887 0.73418 0.74649 0.75258 0.75742 0.76471 0.76800 0.77406 0.77906 0.78187 0.79024 0.79863 0.81282 0.82047 0.84293 0.84556 0.87450 0.88202 0.90180 0.90607 0.91467 0.94768 0.97037 0.98152 1.00132 1.01431 1.02745 1.06537 1.07532 1.11126 1.12429 1.14778 1.18060 1.19594 1.21865 1.25993 1.26436 1.29445 1.33096 1.33953 1.37204 1.39622 1.41440 1.43286 1.46456 1.48665 1.49322 1.50491 1.52916 1.54994 1.56938 1.57779 1.59195 1.59943 1.60644 1.62822 1.63445 1.64386 1.65631 1.68966 1.69879 1.71126 1.72458 1.73861 1.74972 1.76130 1.79775 1.80771 1.81295 1.81806 1.82855 1.84144 1.85145 1.85478 1.86279 1.87318 1.88358 1.89659 1.90305 1.90560 1.91012 1.92354 1.93324 1.94068 1.94735 1.95442 1.96954 1.97760 1.99301 2.00429 2.03214 2.03392 2.05294 2.06420 2.08179 2.10211 2.10773 2.11586 2.13950 2.14249 2.16379 2.18272 2.18840 2.20659 2.24996 2.25603 2.28796 2.30161 2.33453 2.35004 2.39096 2.39660 2.42157 2.44256 2.44929 2.45995 2.46477 2.47602 2.50882 2.52176 2.54212 2.56229 2.56782 2.57624 2.60433 2.61192 2.62926 2.65142 2.67137 2.68763 2.71592 2.73230 2.76983 2.79744 2.80418 2.82561 2.83279 2.84050 2.84533 2.87262 2.88707 2.89985 2.90232 2.95143 2.97314 2.98550 3.00081 3.01399 3.02592 3.03154 3.04915 3.05595 3.06962 3.09508 3.12719 3.17950 3.23165 3.25092 3.39257 3.45723 3.50611 3.68452 3.71940 1-A. Mulliken charges: 1 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 C O H C C C C C C C C O C C C C H H H H H H H H H H H H H H 0.254662 -0.280684 0.024113 -0.279949 0.237697 -0.375643 -0.086267 -0.219621 0.015717 -0.021512 -0.328412 -0.444428 0.063634 0.068269 0.037420 0.006671 0.009823 0.018631 0.029831 0.025941 0.018020 0.030102 0.032468 0.015030 0.046957 0.041569 0.037033 0.004638 0.010568 0.007720 -1.00000 1.21503907e+00 -2.09302842e+00 9.79190167e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 3.0883 -5.3199 2.4889 6.6358 -95.0852 -121.8016 -98.2672 -4.0488 -4.1153 -6.0282 9.9662 -16.7503 6.7841 -4.0488 -4.1153 -6.0282 18.4101 -49.4507 9.1245 5.6600 -6.3225 2.1234 10.2694 10.3074 6.6016 8.5645 -1850.7565 -1346.9732 -626.4111 14.2853 3.5795 -12.7592 -9.5518 -6.2805 -19.7018 -521.1164 -402.4428 -324.5087 -2.3398 -9.1359 -9.4974 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 1-A -653.7374534 3.975E-9 8.113E-6 7.1075448,-12.8400648,5.73252,-4.0819552,-2.8788964,-2.674169 C01 [X(C13H15O2)] 1.1384697 -2.0396887 1.1659579 -0.000006337 0.000002612 0.000011407 0.000002526 -0.000007425 -0.000008338 0.000004520 0.000001553 0.000002168 0.000001612 -0.000016993 -0.000011236 -0.000002396 0.000039273 0.000006015 -0.000021555 -0.000011168 0.000001514 -0.000000600 0.000010606 0.000004215 0.000012584 -0.000006616 -0.000002168 -0.000004540 0.000003794 0.000005189 0.000006707 0.000005683 -0.000007046 0.000011321 -0.000020813 0.000000018 -0.000006523 -0.000018290 -0.000006660 -0.000005556 0.000004617 -0.000003691 -0.000008231 0.000004714 0.000008535 0.000003247 0.000014593 0.000004246 -0.000001187 -0.000008102 -0.000003355 0.000003156 0.000006294 0.000000917 -0.000002781 0.000001907 -0.000001652 0.000000478 -0.000008447 0.000000263 0.000005885 -0.000013382 0.000000406 0.000004014 -0.000006851 0.000004712 -0.000003800 0.000000610 -0.000001941 0.000001830 0.000008718 -0.000000982 0.000001228 0.000002957 0.000003664 0.000002219 0.000008034 0.000001705 0.000004161 0.000007433 0.000003763 0.000002564 0.000007297 -0.000001556 -0.000002279 -0.000003624 -0.000003115 -0.000004157 -0.000000227 -0.000005451 0.000001888 -0.000008760 -0.000001546 188.13789999999995 AuxInfo=1/0/N:16,13,15,14,10,9,6,7,5,1,11,8,4,12,2/CRV:5.3,6.3,7.3,9.3,10.3,14.1,15.1/rA:30C3O1HCC3C3CCC3C3CO1CCCCHHHHHHHHHHHHHH/rB:s1;;;s4;s5;s1s3s4;s4s7;s8;s9;s1s6s10;s5;s11;s4;s8;s6;s9;s10;s13;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-EXP-12-55 WTGUO Title Card Required ES64L-G16RevC.01 84 C1[X(C13H15O2)] RPBE1PBE def2SVP Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RPBE1PBE/def2SVPFreq 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 0 188.13789999999995 AuxInfo=1/0/N:16,13,15,14,10,9,6,7,5,1,11,8,4,12,2/CRV:5.3,6.3,7.3,9.3,10.3,14.1,15.1/rA:30C3O1HCC3C3CCC3C3CO1CCCCHHHHHHHHHHHHHH/rB:s1;;;s4;s5;s1s3s4;s4s7;s8;s9;s1s6s10;s5;s11;s4;s8;s6;s9;s10;s13;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Title Card Required Redundant internal coordinates found in file. (old form). 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 12 16 1 12 12 12 12 12 12 12 12 16 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.0000000 15.9949146 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3.6000000 5.6000000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /cm/shared/apps/spack/cpu/opt/spack/linux-centos8-zen/gcc-8.3.1/gaussian-16.C.01-po5bqktfeugvmjyga3v7eigbecnokxng/g16/l101.exe) Structure from the checkpoint file: "/scratch/wtguo/job_17667484/Gau-1448835.chk" 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 1 1 1 3 4 4 4 4 5 5 6 6 7 8 8 9 9 10 10 11 13 13 13 14 14 14 15 15 15 16 16 16 2 7 11 7 5 7 8 14 6 12 11 16 8 9 15 10 17 11 18 13 19 20 21 22 23 24 25 26 27 28 29 30 1.2188 1.4729 1.5202 1.0942 1.5331 1.5163 1.5422 1.5072 1.3978 1.2638 1.5381 1.4979 1.5215 1.4826 1.5112 1.3412 1.0952 1.5147 1.0963 1.5191 1.1001 1.0994 1.1011 1.1009 1.0993 1.0983 1.1027 1.1023 1.0975 1.1114 1.1015 1.1066 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 2 2 7 5 5 5 7 8 4 4 6 5 5 11 1 1 1 3 3 4 4 7 7 9 8 8 10 9 9 11 1 1 1 6 6 10 11 11 11 19 19 20 4 4 4 22 22 23 8 8 8 25 25 26 6 6 6 28 28 29 1 1 1 4 4 4 4 4 5 5 5 6 6 6 7 7 7 7 7 8 8 8 8 8 9 9 9 10 10 10 11 11 11 11 11 11 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 7 11 11 7 8 14 14 14 6 12 12 11 16 16 3 4 8 4 8 9 15 9 15 15 10 17 17 11 18 18 6 10 13 10 13 13 19 20 21 20 21 21 22 23 24 23 24 24 25 26 27 26 27 27 28 29 30 29 30 30 122.6575 123.2663 114.0648 117.9985 120.9588 112.1834 117.9036 118.7606 117.9397 115.8966 126.1432 119.0157 118.5726 119.7875 115.6248 115.7202 116.968 118.4272 118.1442 118.4447 120.118 116.1811 118.0835 113.9652 121.5572 117.1962 121.0946 120.5973 120.9675 118.0614 105.851 109.4639 110.0131 105.4675 113.7745 111.9765 110.9382 110.9246 110.7153 108.4597 108.0922 107.5897 109.7912 109.8374 112.9719 106.6752 107.994 109.3612 110.8133 110.1294 112.897 107.5394 107.8505 107.4015 114.3032 106.942 114.4715 106.7869 105.9871 107.959 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 2 2 2 11 11 11 2 2 2 7 7 7 7 7 8 8 14 14 5 5 14 14 5 5 14 14 5 5 5 7 7 7 8 8 8 4 4 12 12 5 5 5 16 16 16 5 5 5 11 11 11 1 1 3 3 4 4 7 7 15 15 4 4 4 7 7 7 9 9 9 8 8 17 17 9 9 9 18 18 18 1 1 1 6 6 6 10 10 10 1 1 1 1 1 1 1 1 1 1 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 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 7 7 7 7 7 7 11 11 11 11 11 11 5 5 5 5 5 5 7 7 7 7 8 8 8 8 14 14 14 14 14 14 14 14 14 6 6 6 6 11 11 11 11 11 11 16 16 16 16 16 16 8 8 8 8 9 9 9 9 9 9 15 15 15 15 15 15 15 15 15 10 10 10 10 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 3 4 8 3 4 8 6 10 13 6 10 13 6 12 6 12 6 12 1 3 1 3 9 15 9 15 22 23 24 22 23 24 22 23 24 11 16 11 16 1 10 13 1 10 13 28 29 30 28 29 30 9 15 9 15 10 17 10 17 10 17 25 26 27 25 26 27 25 26 27 11 18 11 18 1 6 13 1 6 13 19 20 21 19 20 21 19 20 21 -2.1505 142.6432 -148.3553 179.0427 -36.1636 32.8379 -117.6805 129.0921 5.6469 61.1181 -52.1094 -175.5546 14.9312 -163.524 -54.6892 126.8556 157.0403 -21.4149 -3.3625 140.4031 -143.3078 0.4577 1.2558 -146.7707 147.5099 -0.5166 -55.6861 61.3156 -176.2918 86.4621 -156.5362 -34.1436 155.2747 -87.7237 34.6689 13.8518 175.4631 -167.8691 -6.2578 -50.3213 65.653 -171.2406 148.2944 -95.7313 27.3751 -104.2579 13.701 133.2246 57.2083 175.1672 -65.3093 3.0453 143.8826 -142.2904 -1.4531 48.2584 -127.3064 -19.3946 165.0406 -161.8243 22.6109 83.61 -157.5279 -37.49 152.5729 -88.565 31.4729 -65.7578 53.1044 173.1422 -2.5526 -175.3977 172.8403 -0.0048 38.0131 -75.4633 160.2918 -148.9382 97.5854 -26.6595 179.745 -59.6404 59.7327 -61.6939 58.9207 178.2938 57.7802 178.3948 -62.2321 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. local minimum 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. 0.00092 0.00140 0.00231 0.00286 0.00584 0.00616 0.00859 0.01289 0.01462 0.01671 0.01726 0.01910 0.02136 0.02330 0.03324 0.03447 0.03797 0.04160 0.04172 0.04191 0.04284 0.04321 0.04433 0.05252 0.05354 0.05534 0.05933 0.06691 0.07234 0.09092 0.09439 0.10172 0.10718 0.10808 0.11277 0.11356 0.11692 0.11762 0.12197 0.12547 0.13028 0.13971 0.14317 0.14443 0.14619 0.14680 0.15215 0.15977 0.16981 0.17781 0.19337 0.20609 0.20843 0.21244 0.25341 0.26251 0.27062 0.28570 0.30458 0.30857 0.31409 0.31691 0.32079 0.32888 0.33289 0.33791 0.33960 0.34079 0.34373 0.34397 0.34427 0.34705 0.34856 0.34980 0.35042 0.35184 0.35501 0.35636 0.35691 0.35991 0.43355 0.56075 0.67809 0.85599 Angle between quadratic step and forces= 75.30 degrees. 1 2 0.00021967 0.00000004 0.00000004 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 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 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 2.30322 2.78333 2.87279 2.06767 2.89717 2.86547 2.91443 2.84826 2.64150 2.38816 2.90655 2.83060 2.87528 2.80172 2.85577 2.53459 2.06960 2.86244 2.07172 2.87071 2.07895 2.07761 2.08073 2.08032 2.07728 2.07545 2.08384 2.08305 2.07398 2.10017 2.08144 2.09114 2.14078 2.15140 1.99081 2.05946 2.11113 1.95797 2.05781 2.07276 2.05844 2.02278 2.20161 2.07722 2.06948 2.09069 2.01803 2.01970 2.04148 2.06695 2.06200 2.06725 2.09645 2.02774 2.06095 1.98907 2.12157 2.04546 2.11350 2.10482 2.11128 2.06056 1.84745 1.91051 1.92009 1.84076 1.98574 1.95436 1.93624 1.93600 1.93235 1.89298 1.88656 1.87779 1.91622 1.91702 1.97173 1.86183 1.88485 1.90871 1.93406 1.92212 1.97042 1.87692 1.88235 1.87451 1.99497 1.86649 1.99790 1.86378 1.84982 1.88424 -0.03753 2.48959 -2.58929 3.12489 -0.63117 0.57313 -2.05391 2.25308 0.09856 1.06671 -0.90948 -3.06401 0.26060 -2.85403 -0.95451 2.21405 2.74087 -0.37376 -0.05869 2.45050 -2.50119 0.00799 0.02192 -2.56163 2.57453 -0.00902 -0.97191 1.07016 -3.07687 1.50905 -2.73207 -0.59592 2.71005 -1.53107 0.60509 0.24176 3.06241 -2.92987 -0.10922 -0.87827 1.14586 -2.98871 2.58823 -1.67083 0.47779 -1.81964 0.23913 2.32521 0.99847 3.05724 -1.13986 0.05315 2.51122 -2.48344 -0.02536 0.84227 -2.22192 -0.33850 2.88050 -2.82437 0.39463 1.45927 -2.74938 -0.65432 2.66290 -1.54575 0.54930 -1.14769 0.92685 3.02190 -0.04455 -3.06127 3.01663 -0.00008 0.66345 -1.31708 2.79762 -2.59946 1.70319 -0.46530 3.13714 -1.04092 1.04253 -1.07676 1.02836 3.11181 1.00845 3.11358 -1.08615 0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00001 -0.00001 0.00001 -0.00002 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00003 -0.00005 0.00000 0.00006 -0.00003 0.00002 -0.00002 0.00003 -0.00004 0.00003 -0.00003 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00005 0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00001 -0.00002 -0.00001 0.00002 -0.00001 -0.00001 0.00004 -0.00002 0.00006 -0.00006 -0.00003 0.00000 0.00002 -0.00001 -0.00006 0.00007 -0.00001 -0.00003 0.00005 -0.00001 -0.00000 -0.00007 -0.00005 0.00002 0.00003 0.00006 -0.00003 -0.00001 0.00003 0.00005 0.00003 -0.00008 -0.00007 0.00012 0.00001 -0.00008 -0.00001 0.00002 0.00003 -0.00002 -0.00003 0.00008 -0.00004 -0.00002 0.00002 0.00002 -0.00002 0.00001 -0.00000 -0.00003 0.00004 -0.00001 -0.00003 -0.00000 0.00001 -0.00002 0.00002 -0.00001 -0.00003 -0.00002 0.00003 0.00001 -0.00016 -0.00024 -0.00022 -0.00005 -0.00014 -0.00011 0.00027 0.00034 0.00022 0.00016 0.00023 0.00011 0.00001 0.00007 0.00000 0.00006 0.00009 0.00014 0.00003 -0.00006 -0.00002 -0.00010 -0.00008 0.00003 -0.00015 -0.00005 -0.00032 -0.00029 -0.00032 -0.00027 -0.00024 -0.00027 -0.00027 -0.00024 -0.00027 0.00003 0.00003 -0.00003 -0.00003 -0.00009 -0.00003 -0.00006 -0.00007 -0.00001 -0.00004 0.00032 0.00030 0.00029 0.00031 0.00029 0.00028 -0.00005 0.00013 -0.00011 0.00007 0.00004 0.00018 0.00007 0.00021 -0.00010 0.00004 -0.00047 -0.00045 -0.00049 -0.00049 -0.00047 -0.00052 -0.00032 -0.00031 -0.00035 0.00008 0.00014 -0.00006 -0.00001 -0.00020 -0.00013 -0.00008 -0.00025 -0.00018 -0.00013 0.00057 0.00068 0.00062 0.00048 0.00059 0.00053 0.00040 0.00051 0.00044 0.00001 0.00003 -0.00005 0.00000 0.00006 -0.00003 0.00002 -0.00002 0.00003 -0.00004 0.00003 -0.00003 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00005 0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00001 -0.00002 -0.00001 0.00002 -0.00001 -0.00001 0.00004 -0.00002 0.00006 -0.00006 -0.00003 0.00000 0.00002 -0.00001 -0.00006 0.00007 -0.00001 -0.00003 0.00005 -0.00001 -0.00000 -0.00007 -0.00005 0.00002 0.00003 0.00006 -0.00003 -0.00001 0.00003 0.00005 0.00003 -0.00008 -0.00007 0.00012 0.00001 -0.00008 -0.00001 0.00002 0.00003 -0.00002 -0.00003 0.00008 -0.00004 -0.00002 0.00002 0.00002 -0.00002 0.00001 -0.00000 -0.00003 0.00004 -0.00001 -0.00003 -0.00000 0.00001 -0.00002 0.00002 -0.00001 -0.00003 -0.00002 0.00003 0.00001 -0.00016 -0.00024 -0.00022 -0.00005 -0.00014 -0.00011 0.00027 0.00034 0.00022 0.00016 0.00023 0.00011 0.00001 0.00007 0.00000 0.00006 0.00009 0.00014 0.00003 -0.00006 -0.00002 -0.00010 -0.00008 0.00003 -0.00015 -0.00005 -0.00032 -0.00029 -0.00032 -0.00027 -0.00024 -0.00027 -0.00027 -0.00024 -0.00027 0.00003 0.00003 -0.00003 -0.00003 -0.00009 -0.00003 -0.00006 -0.00007 -0.00001 -0.00004 0.00032 0.00030 0.00029 0.00031 0.00029 0.00028 -0.00005 0.00013 -0.00011 0.00007 0.00004 0.00018 0.00007 0.00021 -0.00010 0.00004 -0.00047 -0.00045 -0.00049 -0.00049 -0.00047 -0.00052 -0.00032 -0.00031 -0.00035 0.00008 0.00014 -0.00006 -0.00001 -0.00020 -0.00013 -0.00008 -0.00025 -0.00018 -0.00013 0.00057 0.00068 0.00062 0.00048 0.00059 0.00053 0.00040 0.00051 0.00044 2.30323 2.78335 2.87274 2.06767 2.89723 2.86543 2.91445 2.84824 2.64154 2.38812 2.90657 2.83057 2.87528 2.80172 2.85577 2.53459 2.06960 2.86240 2.07172 2.87072 2.07895 2.07759 2.08074 2.08033 2.07729 2.07545 2.08384 2.08305 2.07399 2.10017 2.08145 2.09112 2.14076 2.15143 1.99080 2.05946 2.11117 1.95795 2.05787 2.07271 2.05841 2.02278 2.20164 2.07721 2.06942 2.09076 2.01802 2.01967 2.04153 2.06693 2.06200 2.06718 2.09640 2.02776 2.06098 1.98913 2.12154 2.04545 2.11353 2.10487 2.11131 2.06048 1.84738 1.91062 1.92010 1.84068 1.98573 1.95438 1.93627 1.93598 1.93231 1.89306 1.88653 1.87777 1.91623 1.91704 1.97172 1.86184 1.88485 1.90869 1.93409 1.92212 1.97040 1.87692 1.88236 1.87449 1.99498 1.86648 1.99788 1.86376 1.84985 1.88425 -0.03769 2.48935 -2.58951 3.12483 -0.63131 0.57302 -2.05364 2.25342 0.09878 1.06687 -0.90925 -3.06389 0.26061 -2.85397 -0.95450 2.21410 2.74096 -0.37362 -0.05866 2.45044 -2.50121 0.00788 0.02184 -2.56160 2.57438 -0.00906 -0.97222 1.06987 -3.07719 1.50878 -2.73231 -0.59619 2.70979 -1.53130 0.60482 0.24178 3.06244 -2.92990 -0.10925 -0.87837 1.14583 -2.98877 2.58815 -1.67083 0.47775 -1.81932 0.23943 2.32550 0.99879 3.05753 -1.13958 0.05310 2.51136 -2.48355 -0.02529 0.84230 -2.22174 -0.33843 2.88071 -2.82446 0.39468 1.45880 -2.74983 -0.65481 2.66241 -1.54622 0.54879 -1.14801 0.92654 3.02155 -0.04447 -3.06112 3.01657 -0.00009 0.66326 -1.31721 2.79754 -2.59971 1.70301 -0.46543 3.13771 -1.04024 1.04315 -1.07628 1.02895 3.11235 1.00885 3.11408 -1.08571 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000018 0.000003 0.001117 0.000220 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.505609e-08 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 1 1 1 3 4 4 4 4 5 5 6 6 7 8 8 9 9 10 10 11 13 13 13 14 14 14 15 15 15 16 16 16 2 7 11 7 5 7 8 14 6 12 11 16 8 9 15 10 17 11 18 13 19 20 21 22 23 24 25 26 27 28 29 30 1.2188 1.4729 1.5202 1.0942 1.5331 1.5163 1.5422 1.5072 1.3978 1.2638 1.5381 1.4979 1.5215 1.4826 1.5112 1.3412 1.0952 1.5147 1.0963 1.5191 1.1001 1.0994 1.1011 1.1009 1.0993 1.0983 1.1027 1.1023 1.0975 1.1114 1.1015 1.1066 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 7 5 5 5 7 8 4 4 6 5 5 11 1 1 1 3 3 4 4 7 7 9 8 8 10 9 9 11 1 1 1 6 6 10 11 11 11 19 19 20 4 4 4 22 22 23 8 8 8 25 25 26 6 6 6 28 28 29 1 1 1 4 4 4 4 4 5 5 5 6 6 6 7 7 7 7 7 8 8 8 8 8 9 9 9 10 10 10 11 11 11 11 11 11 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 7 11 11 7 8 14 14 14 6 12 12 11 16 16 3 4 8 4 8 9 15 9 15 15 10 17 17 11 18 18 6 10 13 10 13 13 19 20 21 20 21 21 22 23 24 23 24 24 25 26 27 26 27 27 28 29 30 29 30 30 122.6575 123.2663 114.0648 117.9985 120.9588 112.1834 117.9036 118.7606 117.9397 115.8966 126.1432 119.0157 118.5726 119.7875 115.6248 115.7202 116.968 118.4272 118.1442 118.4447 120.118 116.1811 118.0835 113.9652 121.5572 117.1962 121.0946 120.5973 120.9675 118.0614 105.851 109.4639 110.0131 105.4675 113.7745 111.9765 110.9382 110.9246 110.7153 108.4597 108.0922 107.5897 109.7912 109.8374 112.9719 106.6752 107.994 109.3612 110.8133 110.1294 112.897 107.5394 107.8505 107.4015 114.3032 106.942 114.4715 106.7869 105.9871 107.959 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 2 11 11 11 2 2 2 7 7 7 7 7 8 8 14 14 5 5 14 14 5 5 14 14 5 5 5 7 7 7 8 8 8 4 4 12 12 5 5 5 16 16 16 5 5 5 11 11 11 1 1 3 3 4 4 7 7 15 15 4 4 4 7 7 7 9 9 9 8 8 17 17 9 9 9 18 18 18 1 1 1 6 6 6 10 10 1 1 1 1 1 1 1 1 1 1 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 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 11 11 7 7 7 7 7 7 11 11 11 11 11 11 5 5 5 5 5 5 7 7 7 7 8 8 8 8 14 14 14 14 14 14 14 14 14 6 6 6 6 11 11 11 11 11 11 16 16 16 16 16 16 8 8 8 8 9 9 9 9 9 9 15 15 15 15 15 15 15 15 15 10 10 10 10 11 11 11 11 11 11 13 13 13 13 13 13 13 13 3 4 8 3 4 8 6 10 13 6 10 13 6 12 6 12 6 12 1 3 1 3 9 15 9 15 22 23 24 22 23 24 22 23 24 11 16 11 16 1 10 13 1 10 13 28 29 30 28 29 30 9 15 9 15 10 17 10 17 10 17 25 26 27 25 26 27 25 26 27 11 18 11 18 1 6 13 1 6 13 19 20 21 19 20 21 19 20 -2.1505 142.6432 -148.3553 179.0427 -36.1636 32.8379 -117.6805 129.0921 5.6469 61.1181 -52.1094 -175.5546 14.9312 -163.524 -54.6892 126.8556 157.0403 -21.4149 -3.3625 140.4031 -143.3078 0.4577 1.2558 -146.7707 147.5099 -0.5166 -55.6861 61.3156 -176.2918 86.4621 -156.5362 -34.1436 155.2747 -87.7237 34.6689 13.8518 175.4631 -167.8691 -6.2578 -50.3213 65.653 -171.2406 148.2944 -95.7313 27.3751 -104.2579 13.701 133.2246 57.2083 175.1672 -65.3093 3.0453 143.8826 -142.2904 -1.4531 48.2584 -127.3064 -19.3946 165.0406 -161.8243 22.6109 83.61 -157.5279 -37.49 152.5729 -88.565 31.4729 -65.7578 53.1044 173.1422 -2.5526 -175.3977 172.8403 -0.0048 38.0131 -75.4633 160.2918 -148.9382 97.5854 -26.6595 179.745 -59.6404 59.7327 -61.6939 58.9207 178.2938 57.7802 178.3948 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 300 A 285 A 285 480 300 55 55 1045.0311039741 30 30 30 1.00e+00 60 F IExCor= 1009 DFT=T Ex+Corr=PBE1PBE ExCW=0 ScaHFX= 0.250000 ScaDFX= 0.750000 0.750000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 Grimme-D3(BJ) -0.0348089088 PCM SMD-Coulomb. Total charges None Matrix inversion TetraHydroFuran 7.425700 1.974025 0.000000 1.218812 0.000000 2.181853 2.604339 0.000000 2.531227 3.595012 2.253023 0.000000 2.876451 3.939028 3.516583 1.533116 0.000000 2.440091 3.381548 3.920084 2.512480 1.397824 0.000000 1.472874 2.364794 1.094165 1.516341 2.613889 2.920938 0.000000 2.552842 3.635486 2.254510 1.542248 2.676120 3.205454 1.521533 0.000000 2.844534 3.952075 3.460896 2.599013 3.037253 3.077483 2.550251 1.482607 0.000000 2.477921 3.488362 3.913221 3.098838 3.003132 2.429567 2.895268 2.465455 1.341246 0.000000 1.520216 2.414385 3.496101 2.880664 2.530865 1.538079 2.511270 2.889021 2.482254 1.514740 0.000000 4.116454 5.128515 4.494642 2.374855 1.263762 2.373775 3.718456 3.623609 4.019116 4.089059 3.725904 0.000000 2.489874 2.741841 4.667095 4.363403 3.845307 2.560718 3.827152 4.341738 3.745661 2.514834 1.519116 4.932247 0.000000 3.815008 4.693516 2.767402 1.507234 2.523324 3.774738 2.590403 2.624343 3.897888 4.577126 4.351588 2.707508 5.797081 0.000000 3.839750 4.747494 2.773791 2.645986 3.981900 4.693232 2.600710 1.511208 2.510378 3.747414 4.359660 4.701769 5.758473 3.025807 0.000000 3.786752 4.546787 5.400405 3.891073 2.490056 1.497889 4.417123 4.606605 4.233336 3.378723 2.626482 2.877544 2.965085 4.993792 6.071135 0.000000 3.922537 4.992813 4.331082 3.431486 3.870094 4.004275 3.525544 2.209472 1.095185 2.124998 3.489543 4.666482 4.629196 4.535070 2.667690 4.998732 0.000000 3.435473 4.311149 4.991818 4.127046 3.821971 3.077133 3.987781 3.469369 2.124627 1.096306 2.249153 4.778183 2.690555 5.584499 4.624212 3.606799 2.470965 0.000000 3.456681 3.834389 5.595150 4.957553 4.195012 2.842185 4.665215 4.932276 4.094345 2.763300 2.170822 5.129634 1.100133 6.402413 6.358070 2.742105 4.822111 2.537465 0.000000 2.743526 2.662038 4.860744 4.695534 4.098366 2.820203 4.147359 4.951850 4.608674 3.472039 2.170114 5.107449 1.099422 6.003346 6.386960 3.070828 5.569936 3.756705 1.784650 0.000000 2.741795 2.727178 4.813378 4.921295 4.679794 3.511969 4.100196 4.606805 3.946714 2.795292 2.168732 5.843117 1.101074 6.368326 5.880625 4.046727 4.751104 2.876780 1.781854 1.775597 0.000000 4.064912 4.773053 3.130340 2.146454 2.734280 3.910999 3.066498 3.509984 4.730156 5.193063 4.663886 2.740653 5.984160 1.100858 4.053422 5.000677 5.475434 6.201749 6.618563 5.991640 6.635426 0.000000 4.654377 5.636884 3.785695 2.145833 2.778977 4.156000 3.480600 3.108470 4.181772 4.943431 4.920883 2.540353 6.392735 1.099250 3.356533 5.187466 4.621187 5.845693 6.852810 6.673519 7.030393 1.764856 0.000000 4.155541 4.908514 2.543496 2.184052 3.496677 4.638677 2.752076 2.787988 4.225249 5.072500 4.945416 3.797486 6.383959 1.098281 2.684459 5.957843 4.779763 6.113463 7.083344 6.615297 6.806695 1.779074 1.793058 0.000000 4.694755 5.702507 3.778375 3.114781 4.255093 5.095221 3.490210 2.164256 2.833267 4.155728 4.960204 4.745063 6.392251 3.305335 1.102723 6.341868 2.637621 4.897680 6.850401 7.082301 6.592361 4.402522 3.267007 3.069021 0.000000 4.113600 4.879214 3.173581 3.535775 4.816361 5.304764 3.098252 2.155314 2.727068 3.912544 4.669216 5.656126 5.914756 4.067233 1.102305 6.681816 2.716607 4.678045 6.532373 6.617874 5.833604 5.047779 4.457302 3.649201 1.778681 0.000000 4.155055 4.916798 2.524348 2.831417 4.324239 5.174444 2.748720 2.186063 3.468614 4.602117 4.946647 4.952232 6.350844 2.729551 1.097502 6.600916 3.749623 5.560842 7.052648 6.837063 6.492108 3.662749 3.190298 2.024291 1.778333 1.772905 0.000000 4.352865 5.165392 6.051966 4.488997 3.166987 2.202059 5.000699 4.923098 4.226262 3.282705 2.956061 3.522480 3.124486 5.676761 6.343223 1.111362 4.809125 3.174336 2.545994 3.493164 4.109586 5.840718 5.760891 6.614741 6.508023 6.865937 7.019853 0.000000 4.497614 5.303844 5.799580 4.036926 2.508187 2.102001 4.867523 4.990574 4.799084 4.173753 3.516615 2.374611 4.035436 4.862386 6.367993 1.101450 5.499386 4.462509 3.839507 4.057013 5.117653 4.761325 4.887965 5.912708 6.522425 7.113174 6.814859 1.776344 0.000000 4.062488 4.551677 5.844695 4.645790 3.332351 2.200326 4.943680 5.385711 5.041891 4.039216 3.012223 3.755476 2.851366 5.733918 6.884350 1.106583 5.875330 4.213470 2.614301 2.611503 3.936016 5.597418 6.047172 6.665212 7.263782 7.438239 7.358708 1.771182 1.785874 0.000000 C13H15O2(1-) 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 0 188.13789999999995 AuxInfo=1/0/N:16,13,15,14,10,9,6,7,5,1,11,8,4,12,2/CRV:5.3,6.3,7.3,9.3,10.3,14.1,15.1/rA:30C3O1HCC3C3CCC3C3CO1CCCCHHHHHHHHHHHHHH/rB:s1;;;s4;s5;s1s3s4;s4s7;s8;s9;s1s6s10;s5;s11;s4;s8;s6;s9;s10;s13;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.8610469 0.6634867 0.5202148 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 299 299 299 299 299 MxSgAt= 30 MxSgA2= 30. 1 Closed 1 1 1 -653.737453355893 -653.737453356 1 6.470067836324e+02 -3.627510668055e+03 1.281777102680e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4294967296 LenX= 4294778490 LenY= 4294688049 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 30. Will process 31 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 7.4257, EpsInf= 1.9740) Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 8997 words used for storage of precomputed grid. Keep R1 ints in memory in canonical form, NReq=848644110. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 40755 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Two-electron integral symmetry not used. MDV= 4294967296 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 0. There are 93 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 90 vectors produced by pass 0 Test12= 1.36D-14 1.08D-09 XBig12= 1.48D+02 5.75D+00. AX will form 90 AO Fock derivatives at one time. 90 vectors produced by pass 1 Test12= 1.36D-14 1.08D-09 XBig12= 2.92D+01 9.57D-01. 90 vectors produced by pass 2 Test12= 1.36D-14 1.08D-09 XBig12= 4.08D-01 8.42D-02. 90 vectors produced by pass 3 Test12= 1.36D-14 1.08D-09 XBig12= 1.31D-03 4.17D-03. 90 vectors produced by pass 4 Test12= 1.36D-14 1.08D-09 XBig12= 3.06D-06 1.55D-04. 73 vectors produced by pass 5 Test12= 1.36D-14 1.08D-09 XBig12= 4.21D-09 6.23D-06. 22 vectors produced by pass 6 Test12= 1.36D-14 1.08D-09 XBig12= 5.08D-12 2.49D-07. 3 vectors produced by pass 7 Test12= 1.36D-14 1.08D-09 XBig12= 5.28D-15 5.28D-09. InvSVY: IOpt=1 It= 1 EMax= 5.33D-15 Solved reduced A of dimension 548 with 93 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 187.28 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 222.783 1.938 178.057 -0.818 -3.439 161.001 235.812 15.133 212.926 7.105 3.025 185.124 (Enter /cm/shared/apps/spack/cpu/opt/spack/linux-centos8-zen/gcc-8.3.1/gaussian-16.C.01-po5bqktfeugvmjyga3v7eigbecnokxng/g16/l716.exe) PT3290.100S 2022-11-20T14:50:34.000 -19.15794 -19.07624 -10.27752 -10.23072 -10.21554 -10.21355 -10.20999 -10.20769 -10.20753 -10.20325 -10.19860 -10.19458 -10.19311 -10.18086 -10.14893 -1.01731 -0.93175 -0.88203 -0.80323 -0.74568 -0.71063 -0.70127 -0.69494 -0.64373 -0.62268 -0.57890 -0.56407 -0.52965 -0.48329 -0.47732 -0.45668 -0.44181 -0.42263 -0.41633 -0.40284 -0.39473 -0.39093 -0.38203 -0.37650 -0.36769 -0.36419 -0.35955 -0.35474 -0.34888 -0.33096 -0.32808 -0.31664 -0.30343 -0.29675 -0.28172 -0.25654 -0.24152 -0.19940 -0.17201 -0.11973 0.02254 0.05266 0.09818 0.09929 0.11580 0.12286 0.12936 0.14599 0.15403 0.15916 0.16870 0.17005 0.17494 0.18315 0.19296 0.20059 0.21773 0.21820 0.22598 0.23639 0.25518 0.26503 0.27404 0.28742 0.30014 0.31403 0.31968 0.33566 0.34542 0.36071 0.36757 0.41052 0.41853 0.42531 0.43953 0.44452 0.44969 0.46730 0.48093 0.50858 0.51775 0.53085 0.53646 0.54485 0.57171 0.57548 0.58445 0.61107 0.62407 0.63273 0.64234 0.64600 0.65677 0.66653 0.67677 0.68148 0.68810 0.69100 0.69709 0.70277 0.70369 0.71186 0.71623 0.71982 0.72397 0.72500 0.72745 0.72887 0.73418 0.74649 0.75258 0.75742 0.76471 0.76800 0.77406 0.77906 0.78187 0.79024 0.79863 0.81282 0.82047 0.84293 0.84556 0.87450 0.88202 0.90180 0.90607 0.91467 0.94768 0.97037 0.98152 1.00132 1.01431 1.02745 1.06537 1.07532 1.11126 1.12429 1.14778 1.18060 1.19594 1.21865 1.25993 1.26436 1.29445 1.33096 1.33953 1.37204 1.39622 1.41440 1.43286 1.46456 1.48665 1.49322 1.50491 1.52916 1.54994 1.56938 1.57779 1.59195 1.59943 1.60644 1.62822 1.63445 1.64386 1.65631 1.68966 1.69879 1.71126 1.72458 1.73861 1.74972 1.76130 1.79775 1.80771 1.81295 1.81806 1.82855 1.84144 1.85145 1.85478 1.86279 1.87318 1.88358 1.89659 1.90305 1.90560 1.91012 1.92354 1.93324 1.94068 1.94735 1.95442 1.96954 1.97760 1.99301 2.00429 2.03214 2.03392 2.05294 2.06420 2.08179 2.10211 2.10773 2.11586 2.13950 2.14249 2.16379 2.18272 2.18840 2.20659 2.24996 2.25603 2.28796 2.30161 2.33453 2.35004 2.39096 2.39660 2.42157 2.44256 2.44929 2.45995 2.46477 2.47602 2.50882 2.52176 2.54212 2.56229 2.56782 2.57624 2.60433 2.61192 2.62926 2.65142 2.67137 2.68763 2.71592 2.73230 2.76983 2.79744 2.80418 2.82561 2.83279 2.84050 2.84533 2.87262 2.88707 2.89985 2.90232 2.95143 2.97314 2.98550 3.00081 3.01399 3.02592 3.03154 3.04915 3.05595 3.06962 3.09508 3.12719 3.17950 3.23165 3.25093 3.39257 3.45723 3.50611 3.68452 3.71940 1-A. Mulliken charges: 1 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 C O H C C C C C C C C O C C C C H H H H H H H H H H H H H H 0.254662 -0.280684 0.024114 -0.279950 0.237697 -0.375643 -0.086267 -0.219621 0.015717 -0.021512 -0.328412 -0.444428 0.063634 0.068269 0.037420 0.006671 0.009823 0.018631 0.029831 0.025941 0.018020 0.030102 0.032468 0.015030 0.046957 0.041569 0.037033 0.004638 0.010568 0.007720 -1.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 4 5 6 7 8 9 10 11 12 13 14 15 16 C O C C C C C C C C O C C C C 0.254662 -0.280684 -0.279950 0.237697 -0.375643 -0.062154 -0.219621 0.025541 -0.002882 -0.328412 -0.444428 0.137427 0.145869 0.162980 0.029597 -1.00000 1.21503831e+00 -2.09302924e+00 9.79189768e-01 2.22782526e+02 1.93836787e+00 1.78057222e+02 -8.18005870e-01 -3.43867898e+00 1.61000607e+02 -0.0004 -0.0001 0.0006 8.8226 14.3496 31.6211 96.1131 111.4397 127.6059 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 95.8992 111.1567 127.4402 148.1637 161.7686 176.7884 185.8668 242.0087 249.3415 285.5491 297.1637 307.2443 324.9268 354.6651 359.4211 364.4904 419.2440 436.1148 454.4699 489.6021 532.0375 588.1008 610.1097 637.1590 664.1682 677.4009 726.9899 781.9935 801.6034 840.8376 846.7067 898.0858 923.3775 938.3081 962.8216 978.2115 988.1576 1020.5643 1042.8147 1064.3806 1087.9711 1093.7664 1107.4724 1160.2249 1181.5780 1195.1441 1205.0599 1258.5596 1270.2244 1281.4226 1330.8111 1336.8468 1376.4810 1379.1028 1389.2146 1405.4467 1419.0819 1429.8209 1433.5997 1441.2555 1443.4140 1448.5004 1449.6447 1452.1780 1472.0151 1475.1230 1656.0497 1714.0856 1815.0015 2956.2391 3026.4579 3049.2524 3056.7975 3065.6164 3127.0588 3129.5643 3148.3133 3150.6907 3160.9950 3162.8009 3169.0944 3178.8350 3181.3348 3186.4145 3.4649 5.7584 1.4156 2.6943 1.1486 1.3326 1.7175 1.3059 1.6768 2.6144 2.3639 2.5515 4.1967 2.8311 3.2960 3.5587 3.5205 5.9678 5.4609 4.0644 5.2809 4.7206 3.2623 4.0933 4.6297 2.5616 4.2277 2.0988 5.3975 2.5522 2.8308 2.1931 1.7346 1.5726 1.3794 1.4747 1.4741 2.0007 1.4529 1.6643 1.6291 2.0148 1.5286 2.9763 1.9559 2.5172 2.5103 4.0985 2.0471 2.7952 3.5886 1.5322 1.4410 1.4029 1.3484 2.1788 2.0738 1.1290 1.2443 1.1042 1.0788 1.0523 1.1134 1.0900 1.3127 2.8920 9.7151 7.8703 12.1778 1.0529 1.0883 1.0398 1.0373 1.0378 1.0960 1.1038 1.1034 1.1020 1.1040 1.0856 1.1035 1.0964 1.0968 1.1007 0.0188 0.0419 0.0135 0.0348 0.0177 0.0245 0.0350 0.0451 0.0614 0.1256 0.1230 0.1419 0.2611 0.2098 0.2509 0.2786 0.3646 0.6688 0.6645 0.5740 0.8807 0.9619 0.7155 0.9791 1.2032 0.6925 1.3165 0.7562 2.0434 1.0631 1.1957 1.0422 0.8714 0.8157 0.7534 0.8314 0.8480 1.2278 0.9309 1.1109 1.1361 1.4201 1.1046 2.3605 1.6088 2.1184 2.1478 3.8249 1.9460 2.7042 3.7447 1.6134 1.6086 1.5721 1.5333 2.5357 2.4605 1.3599 1.5068 1.3514 1.3242 1.3008 1.3785 1.3543 1.6759 3.7077 15.6981 13.6241 23.6359 5.4214 5.8730 5.6960 5.7106 5.7467 6.3144 6.3693 6.4436 6.4453 6.4995 6.3982 6.5298 6.5274 6.5401 6.5843 0.1613 6.6382 1.1151 4.4935 0.3795 1.8068 1.8530 1.8931 3.3840 5.5079 5.1061 3.9588 13.8829 10.2449 24.0390 25.8695 3.5048 8.5005 0.8894 21.7524 29.0350 13.7248 5.5711 2.5898 23.9660 37.9819 10.0828 47.2806 3.2991 14.1171 12.2183 5.9847 9.9290 15.6809 5.4546 4.1252 8.1361 31.2402 3.7897 36.7813 16.5284 17.1655 9.7890 48.0436 6.0830 3.4204 6.4990 1.6317 6.4975 2.6978 75.3106 59.9393 2.9080 8.5805 5.0852 7.2025 30.9436 14.2696 55.7774 6.6206 3.8356 2.6801 23.1810 5.9479 31.3822 37.1280 599.9648 40.2130 466.2400 232.1077 88.2718 49.5883 52.2421 50.5583 12.8954 26.7073 31.9518 30.3737 24.8829 10.3715 11.9766 0.2435 53.9836 32.7234 0.02 -0.05 -0.01 0.06 -0.18 0.06 0.03 -0.04 0.02 -0.02 0.01 -0.06 0.01 0.01 -0.04 0.00 0.02 -0.03 0.01 -0.01 -0.01 -0.03 0.04 -0.00 -0.06 0.04 -0.03 -0.06 0.01 -0.06 -0.02 0.02 -0.08 0.03 -0.00 0.03 -0.02 0.05 -0.14 -0.01 -0.02 -0.07 -0.03 0.09 0.06 0.08 -0.00 0.29 -0.09 0.05 -0.01 -0.08 -0.01 -0.08 -0.04 0.03 -0.14 0.01 0.12 -0.14 -0.06 0.05 -0.20 -0.01 -0.02 -0.07 0.01 -0.02 -0.08 -0.02 -0.03 -0.08 -0.08 0.13 0.06 -0.00 0.10 0.10 0.01 0.08 0.09 0.22 -0.20 0.32 0.10 0.00 0.45 -0.01 0.16 0.40 0.00 0.05 -0.03 -0.04 0.34 -0.22 0.03 -0.12 0.10 0.00 -0.05 -0.02 -0.01 -0.05 -0.09 -0.00 -0.05 0.03 0.03 -0.10 0.08 -0.00 0.01 0.07 -0.01 0.03 0.07 -0.01 -0.02 0.04 0.01 -0.05 0.03 -0.01 -0.04 -0.19 0.01 -0.07 0.01 -0.00 -0.10 -0.08 0.02 0.11 0.17 0.03 -0.07 0.18 -0.03 0.07 0.08 -0.02 -0.04 0.03 -0.01 -0.08 0.00 0.03 -0.07 0.00 0.03 -0.07 0.01 -0.00 -0.22 -0.15 -0.03 -0.01 -0.17 0.01 -0.12 0.01 -0.02 0.27 0.07 0.06 0.16 0.35 0.02 -0.02 0.16 0.13 -0.15 0.21 0.02 -0.06 0.23 -0.03 -0.01 0.26 -0.01 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.01 -0.02 -0.01 0.00 0.01 -0.01 0.01 -0.03 -0.00 -0.00 0.02 -0.00 0.01 -0.02 -0.01 -0.01 -0.01 -0.00 -0.04 -0.01 -0.00 -0.03 0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.11 -0.01 0.01 0.01 0.05 -0.00 0.10 0.01 0.04 -0.01 -0.00 0.00 0.02 0.01 -0.06 -0.02 0.00 -0.04 0.00 0.00 -0.00 0.02 -0.01 0.02 0.02 -0.01 0.01 -0.01 0.01 0.47 0.39 0.39 -0.39 0.35 -0.16 -0.09 -0.33 -0.01 0.07 -0.02 0.05 0.05 0.00 -0.00 0.06 -0.02 -0.02 -0.02 0.02 0.01 -0.00 0.05 0.01 0.03 0.01 -0.02 -0.02 -0.01 -0.03 0.03 -0.04 -0.01 -0.05 0.01 -0.02 -0.04 -0.03 0.02 -0.03 0.06 -0.00 -0.01 -0.03 -0.01 -0.06 0.01 0.01 0.01 0.00 0.00 0.03 0.00 0.00 0.03 -0.01 -0.01 -0.01 -0.01 0.07 -0.06 0.22 -0.01 -0.01 0.00 -0.05 -0.06 -0.12 0.05 0.15 0.05 -0.00 0.02 -0.10 -0.01 0.07 0.01 0.00 0.05 -0.00 -0.01 0.03 -0.02 -0.00 -0.05 -0.01 -0.02 -0.00 0.05 -0.20 0.22 0.09 0.28 -0.31 -0.02 -0.24 -0.14 -0.51 -0.03 0.26 0.01 0.16 0.17 0.12 0.05 0.17 0.05 0.01 0.12 -0.08 -0.01 0.01 -0.19 -0.00 -0.05 -0.08 -0.01 -0.00 -0.01 -0.02 -0.02 0.01 -0.02 -0.01 -0.02 -0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.02 -0.01 -0.01 -0.02 0.00 -0.02 -0.01 -0.00 -0.01 -0.01 -0.01 0.00 -0.00 0.01 -0.01 0.02 -0.01 0.01 0.01 0.03 -0.00 0.06 0.02 0.06 -0.02 0.00 0.01 -0.01 0.00 -0.03 -0.02 0.00 -0.01 -0.01 0.00 0.01 0.01 -0.02 0.02 0.01 -0.02 0.01 -0.00 0.10 -0.07 -0.00 -0.09 0.06 0.06 0.08 0.02 0.20 0.20 0.44 -0.40 0.04 0.20 0.49 -0.14 -0.41 -0.19 0.01 0.02 -0.00 0.01 0.01 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.02 -0.00 0.01 -0.00 -0.01 -0.00 0.01 0.01 0.01 0.02 0.01 0.01 0.06 0.00 -0.00 0.01 0.01 -0.00 0.01 0.01 -0.06 -0.01 0.00 -0.07 -0.00 0.00 0.00 0.01 0.02 0.01 -0.03 -0.01 0.06 -0.01 -0.03 -0.01 -0.05 0.03 0.05 0.02 -0.02 0.00 -0.04 0.01 -0.13 -0.01 0.01 -0.14 -0.01 0.00 0.04 0.00 0.00 0.13 0.00 -0.05 0.05 -0.08 -0.07 -0.08 -0.08 -0.04 0.05 -0.11 -0.02 -0.01 -0.02 -0.01 0.08 0.02 0.07 0.05 0.03 0.03 0.07 0.03 -0.42 -0.33 -0.22 0.13 -0.01 0.43 0.19 0.34 -0.40 -0.00 -0.00 -0.01 -0.00 0.02 -0.03 -0.00 -0.02 0.01 0.00 -0.00 -0.02 -0.00 -0.01 -0.01 -0.01 -0.01 -0.06 -0.01 -0.01 -0.01 -0.01 0.00 -0.01 0.01 0.12 0.02 0.01 0.14 0.02 0.00 -0.01 -0.02 0.01 -0.02 0.05 0.02 -0.07 0.02 0.03 -0.01 0.03 -0.03 -0.07 -0.04 -0.02 -0.05 0.03 0.01 0.27 0.04 0.00 0.30 0.03 -0.01 -0.01 -0.05 0.03 -0.21 -0.03 0.07 -0.06 0.15 0.06 0.10 0.09 0.08 -0.10 0.11 -0.01 -0.03 -0.03 0.06 -0.07 -0.10 -0.09 -0.06 0.01 -0.07 -0.17 -0.08 -0.25 -0.42 -0.10 0.07 -0.04 0.47 0.10 0.25 -0.20 -0.01 -0.01 -0.01 -0.04 -0.01 0.00 -0.01 -0.00 -0.04 -0.00 -0.01 -0.02 0.00 -0.01 -0.02 -0.01 0.00 -0.03 -0.00 -0.01 -0.03 -0.01 -0.01 -0.02 -0.00 -0.04 -0.03 -0.00 -0.02 -0.02 -0.01 0.00 -0.00 0.01 -0.02 0.00 -0.00 -0.03 0.05 0.01 0.03 0.05 0.01 0.06 0.03 0.05 0.06 0.01 0.00 -0.10 -0.04 0.00 -0.06 -0.02 -0.08 0.33 -0.22 0.12 -0.49 -0.14 -0.02 0.00 0.56 0.06 -0.02 0.00 -0.12 0.08 0.06 0.08 0.08 0.15 -0.11 0.02 0.12 0.06 0.03 -0.06 0.08 0.19 0.10 0.04 0.03 0.00 0.14 0.03 0.06 0.04 0.16 -0.00 -0.03 -0.02 -0.03 -0.06 -0.01 -0.02 -0.01 -0.03 -0.05 0.01 -0.02 -0.04 0.01 -0.03 -0.04 0.00 -0.02 -0.07 -0.00 -0.02 -0.05 -0.00 -0.01 -0.04 0.01 0.02 -0.03 0.01 0.02 -0.02 -0.00 -0.01 -0.01 0.01 -0.04 0.03 -0.03 0.03 0.11 0.04 0.03 0.08 0.00 0.07 0.06 0.02 -0.02 -0.01 0.02 0.05 -0.03 0.02 0.05 -0.01 0.15 -0.22 0.39 -0.26 0.36 0.30 -0.02 0.00 -0.24 0.15 -0.01 0.02 -0.13 0.08 0.13 0.14 0.09 0.23 -0.17 -0.00 0.21 0.06 0.02 -0.08 0.13 0.25 0.17 0.02 -0.10 -0.02 0.05 -0.02 0.07 0.02 0.05 -0.02 -0.01 0.05 -0.03 -0.01 -0.02 0.03 -0.02 0.11 -0.08 0.02 0.06 -0.02 0.02 0.09 -0.00 0.02 0.06 -0.01 -0.01 0.09 -0.06 -0.03 0.04 -0.04 -0.02 -0.04 -0.06 -0.01 -0.05 -0.04 0.02 0.04 -0.02 0.05 0.09 0.03 0.05 -0.08 0.10 0.10 -0.11 -0.07 -0.08 -0.02 0.12 -0.09 -0.08 0.01 -0.00 -0.19 -0.09 -0.02 -0.20 -0.07 0.07 -0.11 0.13 -0.08 -0.21 0.12 0.19 -0.08 0.19 0.17 -0.14 -0.11 0.24 -0.12 -0.13 -0.01 -0.25 -0.03 -0.14 0.03 0.11 -0.20 0.01 0.24 0.03 -0.18 0.18 -0.08 -0.16 0.00 -0.28 -0.01 0.03 -0.08 -0.22 0.01 0.01 0.01 -0.02 0.10 -0.02 -0.05 0.02 0.03 0.05 0.01 0.04 0.01 -0.01 -0.01 -0.01 -0.01 -0.02 -0.03 -0.00 0.05 0.02 -0.02 0.05 0.03 -0.03 0.01 0.01 -0.03 -0.07 -0.02 -0.03 -0.03 -0.01 -0.06 -0.00 0.01 -0.01 -0.11 0.11 -0.02 0.03 -0.05 -0.06 -0.05 0.01 0.14 0.16 -0.01 -0.05 -0.04 0.01 -0.04 -0.18 -0.04 0.08 -0.25 0.27 -0.21 -0.02 0.22 0.09 -0.13 -0.01 -0.10 0.08 0.00 0.09 -0.02 -0.06 -0.08 -0.00 -0.17 0.06 -0.02 -0.08 -0.15 -0.02 0.12 -0.10 -0.21 -0.04 0.09 0.19 -0.03 0.42 0.07 0.05 0.13 0.42 -0.05 0.01 -0.03 -0.01 0.08 -0.01 -0.07 0.03 -0.01 0.06 0.03 0.03 -0.01 -0.00 -0.01 -0.02 0.03 -0.06 -0.08 0.01 0.01 0.03 0.01 0.05 0.03 0.00 0.04 0.02 0.01 -0.07 -0.01 0.01 -0.04 -0.01 -0.08 0.01 0.03 -0.09 0.22 0.11 0.03 0.02 -0.03 -0.02 -0.05 0.00 0.01 -0.12 -0.01 -0.00 0.01 0.02 0.01 -0.19 -0.02 0.04 0.55 0.02 -0.04 0.11 0.06 -0.37 0.25 0.38 -0.00 0.08 0.01 0.10 -0.03 -0.01 -0.02 -0.00 -0.11 0.08 -0.06 -0.04 -0.11 -0.03 0.05 -0.05 -0.15 -0.04 0.07 -0.18 0.01 -0.04 -0.10 0.01 -0.02 -0.14 0.04 0.05 -0.02 -0.06 0.16 -0.05 -0.10 0.04 0.08 -0.05 -0.07 -0.06 0.11 -0.05 0.03 0.05 -0.08 0.10 0.00 0.04 -0.05 0.02 0.05 -0.15 0.02 0.00 -0.13 -0.04 0.02 0.16 -0.10 0.00 0.08 -0.10 0.02 0.02 -0.06 -0.00 0.05 0.15 -0.13 -0.06 0.02 0.10 -0.02 0.01 -0.12 0.06 0.06 -0.08 -0.10 0.00 -0.02 0.43 -0.10 0.15 0.10 0.24 -0.22 -0.03 0.21 0.03 0.05 0.27 -0.22 -0.11 0.03 -0.08 -0.02 -0.05 -0.14 -0.06 -0.02 0.05 0.05 -0.01 0.21 -0.02 0.04 0.09 0.02 0.01 -0.07 0.04 0.07 -0.19 0.09 0.05 -0.15 0.03 0.10 0.00 -0.02 -0.05 -0.04 -0.03 -0.02 -0.01 0.10 -0.17 0.00 0.00 -0.03 -0.02 -0.03 0.06 0.02 -0.05 0.19 0.01 0.02 -0.10 0.04 -0.06 -0.09 0.07 0.05 -0.07 0.06 0.05 -0.01 0.02 -0.04 -0.00 -0.12 0.01 -0.01 0.00 0.04 -0.04 -0.03 0.04 -0.03 -0.01 -0.09 0.18 0.03 0.03 0.00 0.11 0.28 -0.06 0.10 0.28 0.05 -0.00 0.12 -0.08 0.08 0.06 -0.07 -0.10 0.05 -0.01 -0.05 0.12 0.02 0.01 -0.01 0.01 -0.05 0.04 -0.09 -0.16 0.04 0.18 -0.14 -0.02 0.41 0.17 -0.29 0.30 -0.09 0.21 -0.02 0.14 -0.02 -0.10 0.09 0.02 -0.08 0.00 -0.02 -0.03 -0.01 -0.02 -0.02 0.04 -0.10 0.06 0.00 -0.02 -0.04 0.06 -0.02 0.01 0.06 0.02 0.07 0.01 -0.03 -0.01 -0.05 0.03 0.02 -0.05 0.03 0.02 -0.04 -0.04 -0.02 0.02 0.01 -0.02 0.24 -0.05 -0.06 0.02 -0.02 0.05 -0.13 0.23 -0.02 -0.09 -0.04 0.05 -0.03 -0.06 -0.00 -0.06 0.03 0.02 -0.08 -0.11 -0.06 0.06 -0.01 0.08 -0.07 -0.08 0.07 0.07 -0.01 0.11 -0.32 0.35 0.12 -0.24 0.19 0.08 -0.03 0.41 -0.19 -0.02 0.02 -0.04 -0.16 -0.01 0.17 -0.12 -0.18 0.01 -0.07 -0.05 -0.01 -0.18 -0.01 -0.04 0.01 -0.21 -0.03 -0.02 -0.04 -0.06 0.11 -0.07 -0.11 -0.02 0.00 0.02 -0.01 0.02 -0.02 0.04 0.00 0.07 0.06 -0.03 0.28 -0.05 0.02 -0.01 -0.07 0.05 -0.01 -0.04 0.12 0.02 -0.04 -0.02 -0.01 -0.04 -0.07 -0.02 0.07 0.01 -0.03 -0.07 -0.02 0.04 0.09 -0.10 0.04 -0.05 0.11 -0.11 -0.00 0.00 0.00 -0.04 0.37 0.06 -0.06 0.11 -0.01 -0.03 0.05 0.04 -0.11 -0.08 0.04 -0.10 -0.02 0.13 0.26 -0.22 -0.09 0.02 -0.03 -0.00 0.10 -0.16 0.24 -0.07 0.03 -0.04 0.06 0.06 -0.28 -0.08 0.29 -0.11 -0.18 0.22 -0.03 0.00 -0.01 -0.15 0.11 -0.13 -0.13 -0.03 0.04 -0.00 -0.02 -0.00 0.02 -0.07 0.23 -0.11 0.08 0.03 0.14 0.10 -0.01 0.06 0.13 -0.08 -0.04 -0.04 0.15 -0.04 -0.05 -0.13 0.01 -0.09 -0.12 0.00 -0.10 0.13 0.04 -0.03 -0.04 0.00 -0.03 0.04 -0.04 -0.04 -0.03 0.01 -0.00 0.04 -0.05 0.00 0.05 -0.02 0.15 -0.14 -0.03 -0.11 -0.01 0.02 -0.12 0.44 0.07 -0.04 -0.05 0.02 -0.07 -0.05 0.02 -0.02 -0.03 0.01 -0.24 -0.06 -0.04 0.09 0.14 -0.21 -0.01 0.08 -0.18 -0.08 0.18 -0.06 0.23 0.06 0.02 -0.05 0.16 -0.04 0.19 -0.20 -0.02 0.12 -0.13 -0.01 0.14 -0.17 -0.01 0.04 -0.14 -0.13 -0.18 -0.07 -0.09 0.20 -0.03 0.12 -0.11 -0.02 0.06 0.00 0.13 0.02 0.11 0.01 -0.01 -0.01 -0.12 -0.01 -0.12 0.02 0.06 -0.00 -0.01 0.14 0.04 -0.02 0.01 0.23 0.01 -0.07 -0.10 0.17 0.03 0.27 0.06 0.02 -0.12 -0.08 0.06 -0.13 0.04 -0.05 0.11 -0.02 -0.02 0.02 -0.01 0.13 -0.12 -0.04 -0.13 0.36 0.08 0.07 0.20 0.07 0.05 0.27 0.07 0.03 -0.14 -0.07 0.07 -0.13 -0.07 0.06 -0.12 -0.06 0.04 -0.07 0.01 -0.06 -0.10 0.03 -0.10 -0.20 0.08 -0.10 0.11 -0.01 -0.02 0.17 -0.04 -0.02 0.12 0.00 -0.03 0.11 0.04 0.06 0.22 0.05 0.00 -0.02 0.00 -0.15 -0.09 -0.02 -0.14 -0.05 -0.05 -0.09 -0.04 -0.03 -0.01 0.03 0.04 -0.14 -0.17 -0.05 -0.11 -0.02 -0.14 0.00 -0.03 0.09 0.23 0.09 0.00 0.16 0.02 -0.09 0.04 0.12 0.09 0.02 -0.04 -0.03 -0.00 -0.21 0.06 -0.03 -0.02 0.01 -0.01 0.20 -0.28 -0.11 -0.00 0.17 0.27 0.07 0.10 -0.04 0.28 0.21 -0.02 0.01 0.09 -0.07 0.06 -0.01 -0.03 -0.08 -0.05 0.04 -0.03 -0.05 0.05 -0.32 0.12 -0.01 -0.18 0.07 0.03 -0.14 0.05 0.03 -0.02 0.04 -0.01 0.04 -0.01 -0.01 -0.02 0.06 -0.01 -0.06 0.01 -0.05 0.01 -0.05 -0.06 -0.10 0.42 -0.18 -0.08 0.03 0.18 -0.02 0.00 0.06 -0.05 -0.02 -0.16 -0.11 0.18 -0.06 0.02 0.03 -0.03 0.12 0.10 0.04 0.12 -0.09 0.06 0.00 -0.07 0.05 0.16 -0.04 -0.06 -0.02 0.00 -0.04 -0.14 -0.09 0.08 -0.00 0.00 0.03 0.01 0.00 -0.01 0.20 0.22 0.02 0.17 -0.13 0.10 -0.09 0.04 -0.11 0.14 0.08 -0.08 -0.13 0.00 -0.10 -0.17 -0.20 0.03 -0.02 -0.04 -0.04 -0.23 -0.20 0.11 -0.08 0.00 0.08 -0.07 0.01 0.05 0.09 -0.03 0.10 0.16 -0.06 0.03 0.07 -0.01 0.03 -0.09 0.13 0.11 -0.11 -0.17 0.09 0.10 -0.02 -0.13 -0.21 -0.16 0.03 -0.08 0.01 -0.13 0.05 0.21 -0.06 0.09 0.05 -0.04 -0.11 -0.11 0.09 0.03 -0.04 -0.04 0.08 -0.09 -0.03 0.05 0.04 0.11 -0.09 -0.05 0.09 0.04 0.24 0.05 -0.15 -0.08 -0.04 -0.03 0.03 0.01 0.03 -0.04 0.04 0.07 -0.02 -0.02 0.15 -0.19 -0.07 0.16 0.08 0.21 -0.34 -0.19 -0.12 0.01 -0.05 -0.10 -0.09 -0.09 -0.15 0.11 0.18 0.05 -0.19 -0.05 0.19 0.04 0.10 0.07 -0.03 -0.02 0.07 -0.01 -0.02 0.09 0.12 -0.08 0.10 0.09 -0.10 -0.02 -0.03 0.01 0.02 0.07 -0.08 -0.01 -0.06 -0.06 -0.15 -0.07 -0.12 -0.14 0.07 -0.06 0.08 0.16 0.02 0.03 -0.00 0.01 0.01 -0.10 0.05 -0.05 -0.01 0.02 -0.03 -0.04 -0.09 0.05 0.03 -0.07 0.19 0.02 -0.02 0.16 0.02 -0.05 0.05 0.00 -0.00 0.00 0.01 -0.00 -0.01 0.21 0.13 -0.11 -0.00 -0.01 0.01 -0.17 0.13 0.04 0.09 -0.02 0.17 -0.03 0.07 0.14 -0.06 0.02 -0.08 0.15 0.08 -0.05 -0.09 -0.00 -0.08 0.05 0.07 -0.09 0.27 0.19 -0.20 0.23 0.19 -0.21 -0.06 0.10 -0.03 0.20 -0.00 0.04 -0.05 0.11 -0.01 -0.12 0.11 0.05 -0.17 0.14 0.07 -0.21 0.19 0.09 0.03 -0.11 -0.02 -0.09 -0.02 -0.04 0.18 0.12 0.11 -0.04 0.10 0.02 -0.04 -0.03 -0.01 -0.03 -0.06 0.05 0.04 0.05 0.04 0.04 0.23 0.08 0.03 -0.16 -0.03 0.04 0.20 -0.01 -0.00 -0.07 -0.02 0.07 -0.06 -0.01 -0.05 -0.02 -0.01 0.02 0.01 -0.00 -0.02 0.03 0.01 0.01 -0.02 0.01 -0.01 -0.60 -0.07 0.03 0.16 -0.02 -0.01 0.04 -0.02 -0.01 0.06 -0.01 -0.17 -0.01 -0.04 0.13 -0.03 -0.06 0.13 -0.01 -0.04 -0.07 -0.13 0.07 0.19 -0.17 0.02 -0.34 0.01 -0.06 -0.04 -0.15 -0.02 -0.03 0.11 0.01 0.12 -0.06 -0.06 0.02 0.04 -0.02 0.18 -0.15 0.06 -0.08 0.07 0.04 0.27 0.23 -0.16 -0.05 0.05 -0.00 -0.06 0.11 -0.03 -0.05 -0.03 -0.04 0.19 0.01 -0.10 0.02 -0.05 -0.03 -0.13 0.02 -0.05 -0.16 -0.09 0.07 0.03 -0.16 0.02 0.10 0.10 0.01 -0.05 -0.03 0.01 -0.01 -0.00 -0.00 0.09 -0.03 -0.01 -0.05 0.04 0.01 -0.11 0.46 -0.00 -0.13 0.18 0.13 0.14 0.13 0.07 -0.09 0.08 0.07 -0.30 -0.01 0.06 0.04 -0.04 -0.04 0.07 -0.00 -0.05 -0.07 -0.08 0.02 0.15 -0.05 -0.03 0.12 -0.04 -0.04 0.04 -0.03 -0.04 0.00 0.11 0.03 0.08 -0.00 -0.01 -0.10 0.17 0.05 0.07 -0.15 0.10 0.01 0.04 -0.01 0.10 -0.14 0.01 0.14 -0.03 0.20 0.06 -0.02 0.24 -0.01 0.04 -0.08 0.07 -0.18 -0.00 -0.03 0.03 -0.14 0.02 0.09 -0.18 0.02 0.05 -0.01 -0.02 0.01 0.04 -0.04 0.02 -0.06 -0.05 -0.02 0.00 0.05 0.01 0.01 -0.19 0.07 -0.06 -0.03 0.04 0.01 0.14 -0.20 -0.28 0.15 -0.32 0.05 -0.09 -0.04 -0.02 -0.01 0.00 -0.01 -0.06 -0.02 -0.03 -0.20 -0.11 0.03 0.12 0.12 -0.15 0.07 0.08 -0.11 -0.31 0.13 -0.04 -0.24 0.09 -0.01 -0.12 0.05 -0.01 0.03 -0.06 0.02 -0.09 0.06 0.06 -0.08 0.05 0.06 0.01 0.04 0.05 -0.00 0.04 0.07 -0.01 -0.12 0.17 -0.00 0.05 0.02 -0.02 0.03 -0.05 -0.03 -0.02 -0.02 -0.00 -0.02 0.11 -0.06 -0.04 0.00 0.10 -0.13 -0.00 0.13 -0.08 -0.12 0.01 -0.06 -0.07 0.04 0.01 0.01 -0.03 -0.02 -0.02 0.03 0.03 -0.01 -0.14 0.04 -0.02 -0.02 0.00 0.00 0.06 0.57 0.11 0.12 0.55 -0.04 0.07 0.08 0.01 -0.06 0.02 0.01 -0.14 -0.01 0.02 0.02 -0.01 -0.03 0.09 0.06 -0.07 0.00 0.00 -0.02 -0.21 0.08 -0.02 -0.14 0.05 0.03 -0.12 0.03 -0.00 0.01 0.05 0.01 0.05 -0.02 -0.01 -0.04 0.07 0.02 -0.11 -0.15 0.14 0.03 0.02 -0.06 -0.32 0.09 0.01 -0.04 0.09 -0.03 -0.02 -0.03 0.13 -0.05 -0.04 -0.04 -0.19 0.04 0.14 0.02 -0.00 -0.03 -0.09 -0.02 -0.13 -0.09 -0.03 -0.07 0.04 -0.02 0.03 0.03 -0.05 -0.04 0.25 0.07 0.03 0.08 0.07 -0.05 0.07 -0.02 0.01 -0.03 -0.01 0.00 -0.17 0.20 -0.07 -0.09 0.17 -0.05 0.23 0.05 0.01 0.34 0.10 0.00 0.29 0.07 -0.01 0.31 0.11 -0.11 0.11 0.01 0.01 0.03 -0.04 0.09 0.03 -0.00 0.02 0.08 -0.01 0.02 0.11 -0.02 0.03 0.01 0.08 0.03 0.14 -0.07 -0.03 -0.07 0.14 0.03 -0.02 -0.00 -0.04 -0.01 -0.04 -0.04 0.09 -0.02 0.01 0.02 -0.02 0.02 0.04 -0.03 0.00 0.04 0.05 -0.02 0.03 -0.03 -0.03 0.04 0.15 0.01 -0.03 -0.11 -0.07 -0.05 -0.10 0.08 -0.03 0.09 0.05 -0.04 -0.03 -0.00 0.00 0.03 0.01 -0.02 -0.02 0.02 0.02 0.03 0.00 0.02 0.03 -0.01 0.01 0.52 0.00 0.07 0.46 0.26 -0.15 -0.13 -0.02 0.01 -0.09 -0.02 0.23 0.02 -0.00 -0.09 -0.04 0.04 -0.03 -0.01 0.01 -0.01 -0.00 -0.01 0.18 -0.14 0.04 -0.25 0.02 -0.06 0.03 -0.11 -0.01 0.03 -0.14 -0.02 -0.20 0.11 0.07 0.03 -0.12 0.00 0.04 0.11 -0.06 0.01 0.01 0.05 0.07 -0.14 0.04 -0.10 -0.03 -0.24 0.05 -0.02 0.47 -0.03 0.00 -0.14 0.05 -0.01 -0.05 -0.00 0.03 0.03 0.02 -0.07 0.13 0.01 -0.02 0.03 0.02 -0.02 -0.05 -0.01 0.04 -0.11 -0.06 -0.03 -0.02 -0.01 0.00 -0.07 0.00 0.01 0.01 0.01 -0.01 -0.03 0.00 0.02 0.16 -0.09 0.16 -0.02 0.06 0.06 0.03 -0.17 -0.02 0.03 -0.16 -0.02 0.04 0.42 0.20 -0.10 -0.17 -0.19 0.23 0.02 -0.05 0.18 0.07 -0.05 0.01 -0.04 -0.00 -0.02 -0.00 -0.03 0.00 0.16 -0.10 0.02 0.06 -0.02 0.04 -0.08 0.10 0.09 0.01 0.05 -0.09 -0.02 -0.04 -0.02 0.23 -0.08 0.20 -0.08 0.12 0.03 -0.11 0.02 0.02 -0.05 -0.04 0.02 0.09 -0.08 0.08 -0.02 -0.08 -0.05 0.01 0.03 -0.03 -0.01 -0.02 0.08 -0.04 0.14 0.00 0.04 -0.02 -0.01 -0.03 0.05 -0.00 0.01 0.09 -0.00 0.01 -0.03 -0.02 0.07 -0.09 -0.03 0.13 0.04 -0.08 0.07 -0.12 0.14 -0.17 -0.16 0.00 -0.12 -0.15 -0.02 0.30 0.03 0.02 0.24 -0.06 -0.16 0.35 0.06 -0.15 -0.23 -0.25 0.13 -0.11 0.07 -0.01 0.11 -0.01 0.04 0.08 0.01 0.03 0.10 -0.02 -0.01 0.25 -0.15 -0.07 0.06 -0.00 -0.02 -0.06 0.21 -0.11 0.03 -0.04 0.02 -0.08 -0.50 0.19 0.06 -0.06 0.04 -0.06 0.08 0.01 -0.06 -0.08 0.00 -0.02 -0.09 -0.00 0.02 0.08 -0.00 -0.05 0.01 -0.11 -0.04 0.02 0.02 0.01 -0.10 0.06 0.05 0.08 0.01 0.06 -0.02 0.03 0.01 -0.03 0.02 0.04 0.01 0.01 -0.03 -0.06 -0.01 -0.06 -0.07 -0.12 0.02 0.13 0.07 0.07 0.12 -0.04 0.26 0.16 0.00 -0.19 -0.01 -0.05 -0.21 -0.06 0.08 -0.05 0.05 -0.03 0.08 0.10 -0.10 0.08 -0.05 0.02 -0.06 0.00 -0.01 0.05 -0.03 0.01 0.04 0.15 0.04 0.33 -0.19 -0.08 -0.09 0.23 0.04 -0.00 -0.04 0.08 0.03 0.03 0.01 -0.30 -0.00 -0.37 0.03 -0.04 0.06 -0.06 0.03 -0.00 -0.05 -0.03 0.01 -0.06 -0.07 -0.12 0.02 0.07 -0.04 0.01 -0.05 0.14 -0.00 -0.01 0.02 -0.01 0.08 -0.08 0.03 0.02 0.00 -0.02 0.04 -0.05 0.06 0.01 -0.01 0.03 0.03 -0.02 -0.01 -0.08 0.00 0.01 0.08 0.17 -0.14 -0.01 -0.08 0.08 -0.06 0.08 -0.30 -0.16 0.02 0.22 0.03 0.10 -0.10 -0.01 0.03 0.02 0.07 -0.05 0.12 0.11 -0.09 -0.01 -0.08 0.07 -0.24 0.04 0.02 0.19 -0.14 0.08 0.01 0.16 0.04 0.34 -0.21 -0.10 -0.03 0.16 -0.01 -0.01 0.04 -0.01 0.00 0.00 0.01 -0.10 -0.18 0.10 0.00 0.04 0.03 0.03 -0.02 -0.02 0.04 0.02 -0.00 -0.06 -0.03 0.05 -0.00 0.02 -0.07 -0.00 0.00 0.01 -0.05 -0.00 0.11 0.03 -0.06 -0.08 -0.02 -0.02 0.00 0.03 -0.04 -0.09 -0.03 0.03 0.02 0.05 -0.00 -0.05 0.01 0.06 0.01 0.14 -0.10 -0.07 -0.08 0.00 0.09 0.46 0.20 0.13 -0.35 0.01 0.09 -0.22 -0.01 0.16 0.04 -0.05 -0.04 0.12 0.02 -0.05 -0.14 -0.13 0.07 -0.16 0.01 0.06 -0.10 0.04 0.09 0.31 -0.12 0.13 -0.05 -0.08 -0.03 -0.25 0.15 0.06 0.05 -0.13 -0.01 -0.01 0.02 0.00 0.02 0.00 0.01 -0.08 -0.16 -0.09 -0.02 0.03 0.02 -0.01 -0.00 -0.00 0.01 0.02 0.00 0.01 -0.07 -0.06 -0.01 0.01 -0.04 -0.03 -0.05 0.08 -0.00 0.05 -0.08 0.00 -0.03 0.06 -0.00 -0.01 0.00 -0.00 -0.03 0.08 -0.02 0.06 0.02 0.04 0.01 -0.04 0.04 0.03 -0.01 -0.19 0.22 0.19 -0.17 -0.21 -0.26 -0.23 -0.00 -0.12 0.39 0.15 -0.04 -0.16 -0.04 -0.16 0.09 -0.08 -0.09 0.25 0.05 -0.11 -0.20 -0.18 0.08 -0.07 -0.03 0.06 -0.14 0.03 0.04 0.23 -0.12 0.09 0.04 -0.14 -0.03 -0.17 0.10 0.06 0.05 -0.12 -0.00 0.00 -0.02 0.03 0.01 0.01 0.00 -0.01 -0.20 0.04 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.05 -0.01 0.00 -0.00 -0.01 0.10 0.05 0.00 -0.11 -0.05 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.01 0.02 -0.01 0.02 0.02 0.01 -0.00 -0.01 0.01 0.01 -0.00 -0.05 -0.60 -0.03 0.00 0.69 0.05 -0.09 -0.04 -0.02 0.07 0.00 -0.02 0.03 0.00 -0.03 -0.00 -0.07 -0.04 0.13 0.04 -0.07 -0.10 -0.08 0.02 -0.02 0.01 0.01 0.01 0.00 0.02 0.05 -0.01 0.02 0.01 -0.03 -0.01 -0.04 0.03 0.02 0.01 -0.03 -0.00 -0.02 0.07 -0.04 0.01 -0.02 0.01 -0.17 0.62 -0.53 -0.04 -0.01 0.04 -0.01 0.00 -0.01 -0.00 0.01 0.01 0.01 -0.13 0.05 0.02 -0.02 -0.00 -0.01 0.03 -0.00 -0.01 -0.02 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 0.01 -0.03 0.00 0.03 0.03 -0.04 -0.02 0.04 0.03 0.03 0.01 -0.01 0.03 -0.15 -0.04 0.00 0.14 0.04 0.06 0.08 -0.01 0.06 0.08 0.01 -0.15 -0.02 -0.01 0.16 0.09 -0.05 0.03 -0.01 0.02 0.07 0.04 0.03 0.17 -0.09 -0.00 -0.12 -0.00 -0.12 -0.20 -0.01 -0.10 0.03 -0.09 -0.02 -0.09 0.05 0.03 0.03 -0.08 0.00 0.03 0.02 -0.04 -0.02 -0.01 0.00 0.18 0.34 0.05 0.02 0.01 0.01 0.03 -0.01 -0.02 0.00 -0.01 -0.01 0.03 0.01 0.10 0.03 0.00 -0.04 -0.02 0.01 0.04 -0.03 -0.02 -0.01 0.00 0.01 0.01 -0.00 0.00 0.00 -0.01 0.01 0.04 -0.01 -0.05 -0.04 0.01 0.00 -0.11 -0.03 -0.01 0.01 -0.07 -0.10 0.04 -0.09 0.11 -0.04 -0.16 -0.06 -0.05 0.13 0.01 -0.03 0.04 -0.00 -0.06 0.02 0.15 0.07 -0.27 -0.11 0.17 0.15 0.13 0.01 -0.41 0.09 0.07 -0.19 0.09 0.17 0.43 -0.14 0.19 -0.05 0.10 0.02 0.09 -0.06 -0.04 -0.03 0.08 -0.01 -0.04 0.02 0.00 0.00 -0.01 -0.00 -0.05 0.07 -0.11 0.03 0.01 -0.04 0.18 -0.04 -0.03 0.07 0.00 -0.07 0.03 -0.03 0.01 0.00 -0.03 -0.01 0.00 0.00 0.00 -0.01 -0.00 0.01 0.01 -0.01 -0.00 -0.03 0.02 0.00 -0.01 0.01 0.01 -0.08 0.05 0.05 -0.00 0.04 0.02 -0.12 -0.04 0.09 0.04 -0.02 -0.02 -0.03 -0.01 -0.01 -0.06 -0.04 -0.01 0.01 -0.03 -0.01 0.06 0.00 -0.02 0.06 -0.12 -0.10 0.22 0.00 -0.07 -0.32 -0.26 0.13 0.15 -0.09 0.02 -0.13 0.01 -0.09 -0.09 -0.05 -0.05 -0.33 0.47 0.07 0.26 -0.19 -0.18 -0.00 0.22 -0.12 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.02 -0.03 0.02 -0.00 -0.01 0.06 -0.02 -0.03 0.05 -0.01 0.09 0.01 -0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.01 0.01 0.01 -0.00 0.01 -0.01 -0.03 0.02 0.00 -0.01 0.01 -0.00 -0.08 0.01 -0.12 -0.02 -0.03 0.01 -0.01 -0.01 -0.01 0.01 -0.03 0.02 -0.06 -0.05 -0.00 0.08 0.01 0.03 0.08 -0.00 -0.05 0.05 -0.04 0.02 -0.11 -0.10 0.08 -0.00 -0.01 0.00 -0.04 0.01 -0.01 -0.01 -0.01 -0.00 0.52 -0.27 0.05 0.11 -0.02 0.23 -0.47 0.37 0.36 0.03 0.00 -0.00 0.01 0.00 0.00 -0.08 -0.08 -0.07 0.06 -0.01 0.10 0.00 0.00 -0.03 0.01 0.01 -0.01 -0.04 -0.04 -0.05 0.04 0.11 0.02 -0.01 -0.02 -0.00 -0.00 -0.00 0.00 0.02 0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.00 -0.07 0.03 -0.08 -0.04 -0.09 0.00 -0.01 -0.01 0.02 -0.05 0.04 0.02 0.03 0.05 0.04 -0.02 0.00 -0.01 -0.01 0.00 0.00 -0.04 -0.01 -0.01 0.43 0.22 -0.13 -0.08 -0.25 0.24 -0.08 -0.12 0.29 -0.20 0.25 -0.14 0.44 -0.07 0.10 -0.09 0.27 -0.00 -0.06 0.07 0.01 0.04 -0.03 -0.04 0.03 0.01 -0.04 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.04 0.29 -0.21 -0.03 -0.00 -0.11 0.02 -0.01 0.02 0.01 0.00 -0.00 0.01 -0.05 0.03 0.02 0.11 0.03 -0.00 -0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.04 0.00 0.10 -0.03 -0.11 -0.03 -0.01 -0.00 -0.01 -0.05 0.02 0.03 0.01 0.03 0.01 0.02 0.01 -0.00 -0.00 0.01 0.00 -0.03 -0.00 0.00 -0.34 -0.28 0.06 0.18 0.23 -0.23 -0.07 -0.01 -0.21 -0.29 0.26 -0.12 0.40 -0.05 0.18 0.06 0.22 0.06 0.03 0.00 0.01 0.03 -0.02 0.01 -0.03 0.04 0.02 0.01 0.04 -0.03 0.00 0.00 0.02 -0.16 -0.04 -0.13 0.01 0.01 -0.00 -0.02 0.01 0.01 0.02 -0.14 -0.03 0.01 -0.02 0.01 0.02 0.00 0.01 0.00 -0.00 -0.00 0.00 0.03 -0.01 -0.00 -0.17 0.01 0.02 0.03 0.00 -0.02 0.15 -0.01 -0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.10 0.02 -0.09 -0.06 0.03 -0.00 -0.04 -0.03 -0.17 -0.30 0.10 -0.15 -0.32 -0.09 0.63 0.11 0.04 0.01 -0.00 -0.01 0.01 -0.00 0.00 -0.02 -0.02 0.01 -0.04 0.02 -0.01 -0.00 0.00 0.01 -0.02 0.02 -0.00 -0.14 -0.03 -0.04 -0.31 0.20 0.06 0.02 -0.10 0.01 0.04 0.00 -0.01 -0.00 0.01 0.02 -0.09 -0.05 0.02 -0.01 0.05 0.02 0.01 -0.01 0.00 0.02 -0.00 0.00 -0.05 -0.02 0.03 -0.06 0.04 -0.06 0.02 -0.00 -0.00 -0.03 -0.01 0.03 0.08 -0.00 -0.08 -0.01 -0.02 -0.00 -0.05 0.00 0.06 0.02 -0.03 0.00 0.04 -0.03 0.05 -0.02 0.01 -0.01 0.57 0.02 -0.24 -0.46 0.09 -0.30 -0.30 -0.09 -0.08 0.14 -0.03 -0.04 -0.01 -0.01 -0.14 -0.09 0.02 0.06 -0.09 0.02 0.00 0.08 0.07 -0.05 0.17 -0.02 -0.03 0.16 -0.06 -0.05 -0.07 0.04 -0.03 0.03 0.01 0.01 -0.01 0.01 0.02 -0.05 0.05 0.03 0.14 0.01 -0.06 0.00 0.01 0.03 -0.06 0.01 0.05 -0.15 -0.03 0.05 0.03 -0.01 -0.01 0.07 0.06 -0.01 -0.15 -0.03 -0.01 -0.13 0.01 0.06 -0.05 0.02 -0.07 0.04 0.01 -0.02 0.19 -0.01 0.04 -0.02 -0.04 -0.00 -0.09 0.01 -0.00 0.08 0.04 -0.02 0.08 -0.01 -0.01 -0.04 -0.01 0.00 -0.39 0.01 0.06 0.50 -0.08 0.32 -0.21 -0.14 -0.01 -0.18 -0.15 -0.01 -0.06 -0.00 -0.02 0.05 0.05 -0.02 0.10 0.09 -0.10 0.13 0.11 -0.09 0.06 -0.09 0.06 -0.00 0.01 0.05 0.19 -0.09 0.06 0.01 0.10 0.03 0.09 -0.05 -0.01 -0.05 0.12 0.00 -0.10 0.02 0.04 0.03 0.01 0.01 0.68 0.30 0.28 -0.05 0.01 0.05 0.04 -0.01 -0.01 0.02 -0.02 -0.02 0.00 -0.07 -0.07 -0.12 0.05 -0.05 0.01 -0.01 0.02 0.03 0.01 -0.07 -0.04 -0.03 0.13 -0.00 0.00 0.00 0.02 0.01 -0.06 0.02 -0.00 -0.02 0.05 -0.03 0.03 -0.01 0.00 0.00 0.10 0.00 -0.02 -0.17 0.06 -0.23 0.20 0.00 0.09 -0.17 -0.02 0.01 0.09 0.02 0.15 0.03 0.07 0.01 -0.01 0.00 -0.01 0.10 0.08 -0.01 0.14 -0.03 -0.03 0.17 -0.04 -0.00 0.06 0.00 0.03 -0.03 0.03 0.00 -0.03 0.01 0.01 -0.02 0.03 0.01 -0.04 0.01 -0.00 -0.00 -0.02 -0.03 -0.00 0.02 0.06 0.02 -0.10 -0.02 -0.07 0.03 0.00 -0.02 0.09 -0.00 -0.01 0.05 0.04 0.13 -0.03 0.02 0.01 0.01 -0.05 -0.01 -0.00 -0.01 0.20 -0.01 0.17 -0.01 -0.02 0.00 -0.06 0.01 -0.07 -0.01 0.03 0.01 -0.05 0.02 -0.01 0.02 -0.02 0.00 -0.06 0.04 -0.02 -0.56 0.10 -0.45 -0.05 -0.14 0.04 -0.39 -0.16 0.02 -0.09 0.01 0.12 0.06 -0.07 -0.07 0.13 0.00 -0.03 -0.06 -0.04 -0.00 -0.12 0.05 0.00 -0.15 0.03 -0.01 -0.10 0.03 -0.04 0.03 -0.02 0.00 0.08 -0.05 -0.04 0.06 -0.04 -0.05 0.01 0.00 -0.02 -0.01 -0.03 -0.03 -0.32 -0.23 -0.17 0.06 0.25 -0.01 0.01 -0.01 0.01 0.01 -0.01 -0.01 0.05 -0.04 0.04 -0.01 -0.00 -0.14 -0.02 -0.01 0.05 0.03 -0.00 -0.03 0.06 0.05 0.11 -0.00 -0.04 -0.01 -0.02 -0.02 -0.05 -0.02 -0.10 0.01 0.00 -0.01 0.06 -0.01 -0.00 -0.00 -0.50 -0.05 0.25 0.04 0.04 -0.01 0.05 -0.01 0.02 -0.20 -0.01 0.03 -0.11 -0.01 0.09 -0.25 0.06 0.18 -0.33 -0.01 0.08 0.05 0.02 -0.01 0.15 0.01 -0.05 0.13 -0.06 -0.11 -0.16 0.03 -0.06 -0.00 0.02 0.00 -0.01 -0.00 0.01 -0.03 0.04 0.01 -0.04 0.02 0.01 -0.01 -0.01 -0.00 -0.16 -0.17 -0.14 -0.04 0.07 0.03 0.02 -0.01 -0.00 -0.05 0.39 0.02 0.10 -0.00 -0.00 -0.02 0.01 0.01 0.01 -0.00 0.02 -0.02 0.01 -0.01 -0.09 -0.27 -0.02 -0.03 -0.07 -0.00 0.03 0.08 0.00 0.01 -0.03 -0.02 0.00 -0.02 -0.01 0.01 -0.08 -0.01 0.16 -0.02 -0.05 0.09 -0.02 0.08 0.06 -0.13 0.13 0.09 -0.17 -0.09 0.30 0.06 -0.00 -0.01 0.09 0.06 -0.11 0.01 0.00 0.09 0.06 -0.01 -0.02 0.02 -0.02 0.06 -0.01 0.03 0.04 0.01 0.02 0.25 -0.09 0.06 0.43 -0.23 -0.11 0.14 -0.10 -0.18 0.07 -0.02 -0.03 -0.02 -0.02 -0.03 -0.46 -0.15 -0.31 0.02 0.01 -0.01 0.02 -0.01 0.00 -0.02 -0.04 -0.01 0.05 0.02 0.02 -0.11 -0.00 0.14 -0.01 0.01 -0.01 0.00 0.01 -0.10 -0.05 0.05 0.16 0.00 0.02 0.00 0.01 -0.01 -0.05 -0.01 0.00 -0.01 0.03 0.00 -0.05 0.00 0.00 0.00 0.56 0.07 -0.26 0.02 0.03 -0.09 0.15 0.01 0.05 -0.12 0.07 0.03 -0.01 0.01 0.17 -0.00 0.03 0.00 -0.05 -0.03 0.04 -0.03 -0.04 0.04 -0.04 -0.09 0.06 0.04 0.04 0.13 0.22 -0.08 0.08 -0.02 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.01 0.01 0.05 -0.02 -0.01 0.00 0.01 0.02 0.17 0.42 0.05 0.26 -0.06 -0.10 -0.05 0.01 0.01 -0.13 0.05 0.03 -0.10 -0.01 0.06 -0.14 0.03 -0.07 -0.03 -0.02 0.03 0.02 0.01 -0.03 0.05 -0.03 -0.01 0.01 0.02 0.00 -0.01 0.02 0.00 -0.05 0.04 0.03 0.03 0.02 0.02 0.04 0.01 -0.01 0.02 -0.00 0.00 0.23 0.00 0.13 -0.06 -0.08 0.02 -0.04 -0.09 -0.02 0.00 0.02 -0.01 -0.17 -0.20 -0.06 -0.01 -0.12 0.17 -0.29 -0.28 0.14 0.23 -0.12 0.01 0.13 -0.02 -0.08 0.10 -0.13 0.05 0.07 -0.20 -0.02 0.14 -0.04 -0.05 0.09 -0.21 -0.04 0.27 -0.02 -0.12 -0.02 0.01 0.02 -0.02 -0.04 0.22 -0.07 -0.03 0.01 0.09 -0.07 -0.03 -0.04 0.01 -0.01 -0.18 0.01 0.04 0.11 0.00 -0.12 0.05 -0.01 0.05 -0.04 -0.01 -0.03 -0.19 0.00 0.11 0.00 0.05 0.01 0.02 0.00 -0.02 0.02 0.02 0.02 0.02 -0.01 0.06 -0.04 0.03 0.01 -0.04 -0.01 0.10 -0.20 0.06 -0.13 0.19 0.05 0.09 0.10 0.15 -0.01 0.17 0.01 0.16 0.03 -0.07 -0.03 0.06 0.07 -0.06 -0.01 0.02 -0.11 -0.05 0.19 -0.05 -0.20 -0.07 -0.18 -0.29 0.10 -0.14 0.08 -0.22 0.02 0.31 -0.10 -0.10 0.07 -0.25 -0.08 -0.06 0.01 0.03 0.01 -0.00 -0.00 0.01 -0.03 -0.04 -0.02 0.03 0.01 0.02 -0.05 -0.01 -0.01 -0.06 -0.01 0.03 -0.01 -0.02 -0.01 -0.00 0.04 0.00 0.01 -0.02 0.01 -0.00 0.02 0.05 0.02 -0.03 0.01 0.04 0.00 0.01 0.00 0.01 0.01 -0.01 -0.01 -0.00 -0.00 -0.02 -0.10 0.12 0.03 -0.05 -0.00 -0.01 -0.02 -0.01 -0.01 -0.08 -0.04 -0.04 -0.06 -0.05 0.02 -0.11 0.00 -0.04 -0.00 0.05 0.03 -0.04 0.01 -0.01 0.01 -0.01 0.01 -0.02 -0.03 0.01 0.02 0.02 0.05 0.04 -0.00 0.02 0.15 -0.48 0.03 0.54 -0.13 -0.17 0.12 -0.53 -0.13 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.05 0.00 -0.01 0.04 -0.02 -0.02 -0.01 0.02 0.01 0.01 -0.01 0.00 0.02 0.02 0.03 -0.02 0.02 -0.05 -0.03 -0.01 0.04 -0.01 0.01 -0.04 0.01 0.00 0.01 0.00 -0.01 -0.00 0.02 0.01 -0.00 -0.13 -0.06 0.05 0.04 -0.02 0.02 -0.01 0.01 0.00 0.13 0.01 -0.02 0.16 -0.01 0.10 -0.07 -0.05 -0.04 -0.08 -0.03 0.03 -0.09 0.01 0.00 0.40 0.11 -0.03 0.45 0.02 -0.34 0.32 0.48 -0.06 -0.04 0.08 -0.01 -0.12 -0.02 -0.02 -0.08 0.07 -0.06 0.01 -0.04 0.00 0.04 -0.01 -0.02 0.01 -0.04 -0.01 0.01 -0.00 -0.01 0.00 0.01 0.01 0.02 -0.01 0.02 -0.01 0.01 0.01 0.02 -0.02 -0.01 -0.02 0.01 0.00 -0.01 -0.01 -0.01 0.01 -0.00 0.00 0.01 -0.00 0.01 -0.01 0.00 -0.01 -0.06 -0.02 -0.00 0.00 0.01 0.00 0.16 0.05 0.02 0.02 0.01 -0.01 0.01 -0.01 0.00 0.02 -0.02 -0.01 0.04 -0.00 -0.00 0.01 -0.00 0.00 -0.43 -0.25 -0.28 -0.48 -0.21 0.21 -0.51 0.06 -0.07 -0.05 -0.01 0.01 -0.08 0.01 0.05 -0.05 -0.07 -0.01 -0.05 0.06 -0.00 -0.07 -0.01 -0.02 -0.05 0.02 -0.03 -0.03 0.05 -0.01 -0.07 0.02 0.02 -0.02 0.06 0.03 0.04 -0.01 -0.02 -0.01 -0.00 0.00 -0.10 -0.03 -0.02 -0.02 -0.04 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.02 0.03 -0.00 0.01 -0.03 0.04 0.01 -0.03 0.02 -0.01 0.04 -0.05 -0.00 -0.00 -0.00 0.01 0.00 0.03 0.00 0.00 -0.02 -0.01 0.00 -0.12 0.04 -0.02 -0.00 -0.00 0.00 -0.23 -0.02 0.08 -0.19 0.03 -0.12 -0.05 -0.00 -0.06 -0.06 0.01 0.04 -0.03 0.01 0.00 0.08 0.05 0.00 0.18 -0.00 -0.11 0.12 0.14 0.05 0.42 -0.32 -0.06 0.49 0.05 0.09 0.33 -0.15 0.28 0.01 0.01 0.00 0.00 -0.01 -0.01 0.01 0.01 -0.01 -0.03 0.01 -0.00 0.00 -0.00 -0.00 0.06 -0.04 0.10 -0.05 -0.03 0.02 -0.05 0.04 0.00 0.09 -0.02 -0.01 -0.00 0.02 0.02 0.14 -0.01 -0.08 -0.08 -0.02 0.12 -0.09 0.02 -0.11 0.05 -0.00 0.03 -0.00 -0.03 -0.00 -0.00 -0.00 -0.01 0.05 0.02 -0.00 -0.10 0.02 0.01 -0.04 0.02 0.02 0.49 0.04 -0.11 0.43 -0.06 0.29 -0.03 -0.07 0.01 -0.02 0.00 0.01 -0.08 0.00 0.06 -0.05 -0.04 -0.00 -0.14 0.05 0.06 -0.09 -0.12 -0.08 0.28 0.01 -0.19 0.17 -0.03 -0.14 0.18 -0.03 0.21 0.10 -0.02 0.05 0.04 -0.01 -0.04 0.05 0.01 -0.10 0.02 -0.00 -0.01 0.01 0.01 0.02 0.22 0.09 0.10 0.06 0.12 -0.03 0.04 -0.02 -0.01 -0.07 0.01 0.01 -0.12 -0.08 -0.08 0.10 -0.05 0.10 -0.00 -0.00 -0.00 -0.04 0.00 -0.02 0.02 -0.00 0.01 0.00 0.01 0.00 -0.01 0.01 0.00 -0.04 -0.08 0.04 -0.06 0.03 -0.04 0.04 -0.01 -0.02 0.15 0.02 -0.06 0.04 -0.02 0.05 0.05 -0.06 0.09 0.06 -0.09 -0.06 -0.04 0.01 -0.03 0.23 0.40 0.21 -0.15 0.39 -0.39 -0.10 -0.09 -0.08 0.03 -0.23 0.11 0.11 0.09 0.19 0.01 -0.03 0.01 -0.12 0.02 -0.06 -0.01 0.01 0.06 -0.07 -0.04 0.13 0.01 0.00 -0.01 0.00 0.00 0.01 0.06 0.02 0.03 -0.01 0.04 -0.02 -0.01 0.01 0.00 0.02 0.00 -0.00 -0.03 -0.02 -0.02 0.04 -0.01 0.03 -0.00 -0.00 0.01 -0.02 0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.04 -0.01 0.02 -0.00 -0.01 0.00 0.00 0.08 0.01 -0.02 0.03 -0.01 0.03 -0.01 -0.01 -0.00 -0.00 0.01 0.00 -0.01 0.00 0.02 -0.46 0.04 0.15 0.37 -0.21 0.00 0.25 0.08 0.57 -0.18 -0.05 0.14 0.15 -0.00 -0.07 -0.11 -0.23 -0.10 0.04 0.01 0.02 0.01 -0.00 0.02 0.02 -0.01 -0.03 0.01 -0.00 -0.01 0.00 0.01 0.01 0.05 0.06 0.01 0.04 0.02 -0.01 -0.05 0.04 0.01 0.06 -0.00 -0.00 -0.03 -0.02 -0.02 -0.00 -0.01 0.02 0.01 0.00 -0.01 0.00 -0.00 0.01 -0.02 -0.02 -0.00 -0.00 -0.03 -0.00 0.02 -0.03 0.00 -0.01 -0.01 0.02 0.01 0.01 -0.01 -0.06 -0.00 0.04 -0.02 -0.00 0.00 -0.04 0.01 -0.03 -0.16 0.17 -0.25 -0.17 0.28 0.17 0.22 -0.02 0.09 0.10 0.02 -0.01 -0.08 0.07 -0.03 -0.06 -0.03 -0.10 -0.08 -0.13 0.14 0.04 0.05 0.12 -0.09 -0.03 -0.09 0.42 -0.05 0.16 -0.15 0.02 -0.17 0.25 0.23 -0.41 0.01 0.00 -0.01 0.00 0.00 0.00 0.04 0.00 0.03 0.00 0.05 0.00 -0.01 0.02 0.00 0.02 -0.00 -0.01 -0.02 -0.02 -0.01 0.03 -0.01 -0.01 0.00 -0.00 0.01 -0.01 0.00 -0.01 -0.01 0.01 0.01 -0.00 -0.02 -0.00 0.00 0.01 0.01 -0.01 0.02 0.02 -0.00 0.01 -0.03 -0.01 0.00 -0.01 0.04 0.00 -0.00 0.01 -0.00 0.01 0.10 -0.02 0.10 0.05 -0.20 -0.08 -0.12 0.01 -0.14 0.02 -0.38 -0.23 0.03 -0.26 0.28 0.07 0.19 -0.22 0.03 -0.33 0.20 0.05 0.13 0.42 -0.14 0.17 -0.11 0.03 0.10 0.02 0.06 -0.01 0.15 0.01 -0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 0.01 0.02 -0.01 0.01 -0.01 0.02 0.00 0.02 -0.00 -0.00 -0.02 0.01 0.01 -0.00 -0.01 -0.01 0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.01 0.00 0.00 0.02 -0.02 -0.03 -0.00 -0.00 0.00 0.00 -0.01 -0.04 -0.00 0.01 0.00 -0.00 -0.00 -0.01 0.03 0.00 0.00 0.01 -0.00 -0.00 0.03 -0.01 0.03 -0.23 -0.27 -0.06 0.06 0.47 0.09 0.07 0.03 0.55 -0.02 -0.13 -0.07 0.03 -0.10 0.10 0.04 0.07 -0.04 0.04 -0.10 0.03 -0.01 0.04 0.15 -0.03 0.11 -0.01 -0.24 -0.18 -0.11 0.03 -0.02 -0.22 -0.14 0.06 0.21 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.01 -0.00 0.01 -0.00 -0.00 -0.01 0.01 0.00 0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.01 -0.02 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 0.00 -0.05 0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.15 0.08 -0.17 -0.11 0.27 0.13 0.17 -0.01 0.15 0.01 0.02 0.01 -0.02 0.02 -0.02 -0.02 -0.02 -0.01 0.00 0.03 -0.02 -0.01 -0.01 -0.03 0.02 -0.01 0.01 0.01 0.41 0.03 0.20 -0.01 0.62 -0.02 -0.43 0.05 0.01 0.00 -0.00 0.00 0.00 0.00 0.03 0.01 0.01 0.01 0.04 -0.01 0.02 -0.01 -0.00 -0.03 0.01 0.01 -0.02 -0.02 -0.02 0.01 -0.03 0.03 -0.00 0.00 -0.00 -0.01 0.00 -0.01 0.01 -0.01 0.01 0.00 0.01 0.00 -0.01 -0.02 0.02 -0.01 -0.00 -0.01 -0.02 -0.03 -0.01 0.01 -0.00 0.00 0.03 -0.00 -0.02 0.01 -0.01 0.00 -0.03 0.31 -0.18 -0.18 0.01 0.10 0.21 -0.04 -0.21 -0.15 -0.04 0.02 0.12 -0.12 0.04 0.10 0.06 0.16 0.31 0.10 -0.28 -0.34 0.03 0.14 0.19 0.47 0.20 -0.02 -0.06 -0.02 -0.03 0.00 -0.07 -0.01 0.04 0.02 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.02 0.01 -0.02 -0.01 0.01 0.02 -0.00 -0.00 -0.01 0.02 0.00 0.01 0.01 0.01 0.01 0.02 -0.02 -0.01 -0.00 0.02 -0.01 0.00 -0.02 0.02 -0.02 0.02 -0.00 0.00 0.00 -0.00 -0.02 0.03 0.01 0.01 0.01 0.00 0.02 0.00 0.03 0.01 -0.00 0.05 0.00 -0.01 0.05 -0.00 0.03 -0.04 0.43 -0.26 -0.25 0.01 0.13 0.28 -0.05 -0.30 0.07 -0.06 -0.05 -0.04 -0.00 0.04 -0.02 0.02 -0.12 -0.17 -0.10 0.18 0.23 -0.00 -0.04 -0.13 -0.26 -0.12 -0.29 -0.15 -0.12 0.08 -0.03 -0.14 -0.17 -0.02 0.25 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.05 -0.00 -0.00 -0.01 -0.08 0.00 -0.04 0.03 0.01 0.06 0.00 -0.01 0.03 0.03 0.04 -0.02 0.02 -0.08 -0.01 -0.00 0.02 0.01 0.00 -0.01 -0.02 -0.00 0.01 -0.00 -0.01 -0.00 0.01 -0.00 0.00 0.03 -0.00 -0.02 0.03 -0.02 -0.02 -0.01 0.01 0.00 -0.02 -0.01 0.02 0.02 0.01 0.00 0.02 0.01 0.00 -0.00 -0.03 -0.00 -0.03 -0.00 -0.03 -0.11 0.32 0.21 -0.04 0.20 -0.20 -0.10 -0.25 0.28 0.06 -0.28 0.15 -0.08 0.12 0.46 -0.20 0.36 -0.14 -0.12 -0.02 -0.04 0.09 -0.02 -0.02 -0.07 -0.04 0.10 0.04 -0.00 -0.02 0.00 0.01 0.01 0.07 0.10 -0.02 0.07 0.04 -0.03 -0.13 0.18 0.04 0.22 0.02 -0.04 -0.05 -0.04 -0.03 -0.02 -0.04 0.09 0.04 0.01 -0.04 0.02 -0.01 0.02 -0.11 -0.01 0.01 -0.02 -0.14 -0.01 0.03 0.00 0.01 -0.02 -0.01 0.01 -0.00 0.00 0.01 -0.03 0.04 0.01 -0.06 0.00 0.00 -0.14 0.02 -0.10 0.06 -0.02 0.03 0.02 -0.09 -0.01 -0.12 0.00 -0.06 0.03 -0.04 -0.02 -0.05 -0.00 0.03 -0.04 -0.01 -0.07 0.04 0.21 -0.16 -0.13 -0.06 -0.24 0.17 -0.06 0.13 -0.39 -0.17 -0.13 0.33 -0.10 -0.17 -0.26 -0.10 0.34 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.02 -0.06 0.00 -0.07 -0.06 0.03 0.41 0.58 -0.01 -0.31 -0.16 0.06 0.02 0.00 0.00 -0.01 0.01 -0.02 0.07 0.01 -0.00 -0.07 0.00 -0.02 0.03 0.01 -0.01 -0.09 -0.30 -0.02 -0.00 0.01 0.00 0.02 0.02 -0.01 -0.00 -0.00 0.00 0.03 0.03 -0.01 -0.06 -0.04 0.06 0.00 -0.03 0.06 -0.02 -0.00 -0.00 -0.01 -0.00 -0.00 0.03 0.00 -0.00 -0.02 0.06 0.01 -0.08 0.07 0.01 -0.10 -0.12 0.03 -0.00 -0.00 0.00 0.02 -0.00 0.01 -0.02 0.01 -0.01 0.23 -0.17 0.06 0.02 0.04 0.03 0.16 -0.20 -0.18 -0.03 0.00 0.00 0.00 -0.00 -0.00 -0.04 0.02 -0.06 0.02 -0.02 0.01 -0.06 -0.06 0.00 0.03 0.01 -0.01 0.03 0.00 0.01 -0.12 0.01 0.02 0.55 0.01 -0.02 -0.51 0.02 -0.13 0.09 0.01 0.03 0.01 0.04 0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 0.01 -0.01 0.01 0.00 -0.00 0.00 -0.21 -0.05 0.38 0.03 -0.09 0.40 -0.02 -0.01 -0.00 0.03 0.01 0.00 -0.03 -0.01 -0.01 0.03 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.03 -0.01 0.00 0.02 -0.01 0.01 -0.01 0.01 -0.00 -0.04 0.02 -0.02 -0.01 0.00 -0.00 -0.02 0.03 0.03 0.32 0.44 0.59 -0.20 -0.28 -0.38 0.17 0.11 0.13 -0.01 -0.01 -0.01 -0.00 -0.01 0.00 0.01 -0.01 -0.00 -0.05 -0.03 -0.04 -0.01 -0.01 -0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.01 -0.01 -0.02 -0.05 0.00 0.01 -0.00 0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.03 -0.01 0.01 -0.10 -0.05 -0.04 -0.01 0.02 0.04 -0.02 0.02 0.03 -0.00 -0.00 0.00 0.02 0.02 -0.02 -0.00 -0.00 -0.00 0.02 -0.02 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.01 -0.01 0.01 0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 -0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.28 -0.11 0.87 0.08 0.22 -0.03 -0.24 -0.03 -0.20 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.04 0.01 -0.07 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 0.01 -0.01 0.01 -0.03 0.00 -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.12 -0.05 0.32 -0.08 -0.21 0.00 0.73 0.10 0.53 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.04 -0.02 0.03 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.02 0.04 -0.07 0.02 0.05 0.04 0.06 -0.05 -0.02 -0.27 -0.35 -0.48 0.02 0.61 -0.17 -0.23 -0.04 0.33 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.05 -0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.01 0.32 -0.23 -0.41 0.20 -0.14 0.47 0.02 0.62 -0.04 -0.01 0.01 -0.01 0.00 0.01 0.01 0.01 -0.01 -0.00 -0.00 -0.01 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.01 -0.02 0.00 0.03 0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.03 0.03 -0.03 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.01 0.00 -0.00 0.01 0.00 0.02 -0.00 0.19 -0.31 0.54 -0.18 -0.36 -0.35 -0.38 0.33 0.11 -0.04 -0.05 -0.07 0.00 0.09 -0.02 -0.01 -0.00 0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.05 -0.08 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.03 0.01 -0.13 0.31 0.89 -0.08 0.22 0.02 0.17 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.03 -0.09 -0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.29 0.35 0.52 0.01 0.69 -0.20 0.01 -0.01 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.03 -0.09 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.01 -0.30 0.20 0.39 -0.12 0.08 -0.31 0.04 0.77 -0.06 0.00 -0.01 0.01 0.00 0.01 0.01 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.06 0.02 -0.07 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.02 0.00 0.21 -0.36 0.61 0.17 0.38 0.33 0.28 -0.24 -0.10 0.02 0.02 0.03 -0.00 -0.03 0.01 -0.05 -0.01 0.07 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.09 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.01 0.05 0.05 0.01 -0.06 -0.35 0.25 0.44 0.30 -0.20 0.68 -0.00 -0.09 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 -0.01 0.05 0.04 0.01 -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.25 0.08 -0.58 -0.48 -0.08 0.59 -0.04 0.03 0.05 0.02 -0.02 0.06 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.00 0.02 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 0.05 0.03 0.03 0.01 -0.06 0.00 0.00 -0.00 0.01 -0.00 0.01 0.01 0.00 -0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.17 -0.33 -0.31 0.34 -0.29 -0.10 0.10 0.12 0.16 -0.00 -0.19 0.04 -0.39 -0.06 0.54 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.44 0.29 0.52 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.04 -0.03 -0.05 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.04 0.02 -0.02 -0.00 0.04 0.00 0.00 -0.00 0.03 -0.01 0.07 -0.05 -0.01 0.06 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.01 -0.02 0.05 -0.11 -0.21 -0.19 0.29 -0.25 -0.09 -0.06 -0.07 -0.09 0.00 0.10 -0.02 0.23 0.04 -0.32 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.39 0.26 0.46 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.02 -0.04 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.04 -0.02 0.02 0.01 -0.04 -0.00 -0.00 0.00 0.04 -0.01 0.08 -0.04 -0.01 0.05 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.02 0.03 -0.07 0.11 0.21 0.20 -0.33 0.28 0.10 0.06 0.08 0.10 -0.00 -0.12 0.03 -0.27 -0.04 0.38 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.09 -0.06 -0.11 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.01 -0.00 -0.00 0.00 -0.03 0.01 -0.06 0.04 0.01 -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.30 -0.10 0.69 -0.40 -0.06 0.48 -0.01 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 6 8 1 6 6 6 6 6 6 6 6 8 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.150 1.00000 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 6 8 1 6 6 6 6 6 6 6 6 8 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 15.99491 1.00783 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 203.10720 2095.98468 2720.08663 3469.22286 0.99869 -0.0481 -0.01727 0.04742 0.99816 -0.03785 0.01906 0.03698 0.99913 asymmetric 1 0.04132 0.03184 0.02497 0.86105 0.66349 0.52021 649415.0 137.98 159.93 183.36 213.17 232.75 254.36 267.42 348.20 358.75 410.84 427.55 442.06 467.50 510.28 517.13 524.42 603.20 627.47 653.88 704.43 765.48 846.15 877.81 916.73 955.59 974.63 1045.98 1125.11 1153.33 1209.78 1218.22 1292.15 1328.53 1350.02 1385.29 1407.43 1421.74 1468.36 1500.38 1531.41 1565.35 1573.69 1593.41 1669.30 1700.03 1719.55 1733.81 1810.79 1827.57 1843.68 1914.74 1923.42 1980.45 1984.22 1998.77 2022.12 2041.74 2057.19 2062.63 2073.65 2076.75 2084.07 2085.72 2089.36 2117.90 2122.37 2382.69 2466.19 2611.38 4253.37 4354.40 4387.19 4398.05 4410.74 4499.14 4502.75 4529.72 4533.14 4547.97 4550.57 4559.62 4573.63 4577.23 4584.54 0.247349 0.261511 0.262456 0.208387 -653.490104 -653.475942 -653.474998 -653.529067 164.101 56.409 113.797 0.000 0.000 0.000 0.889 2.981 41.830 0.889 2.981 31.359 162.323 50.447 40.608 1 0.603 1.952 3.536 2 0.607 1.940 3.249 3 0.611 1.926 2.984 4 0.618 1.905 2.696 5 0.622 1.889 2.529 6 0.628 1.871 2.362 7 0.632 1.859 2.269 8 0.658 1.776 1.788 9 0.662 1.764 1.735 10 0.683 1.701 1.500 11 0.691 1.679 1.433 12 0.697 1.660 1.377 13 0.709 1.626 1.285 14 0.731 1.566 1.145 15 0.734 1.556 1.125 16 0.738 1.545 1.103 17 0.782 1.428 0.895 18 0.797 1.391 0.839 19 0.813 1.351 0.782 20 0.845 1.273 0.685 21 0.887 1.179 0.583 22 0.945 1.057 0.471 23 0.969 1.010 0.433 0.140868e-95 -95.851189 -220.705518 0.834467e+18 17.921409 41.265570 0.460702e+04 3.663420 8.435337 0.100000e+01 0.000000 0.000000 0.113774e+09 8.056042 18.549722 0.159201e+07 6.201947 14.280511 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 3.0883 -5.3199 2.4889 6.6358 -95.0852 -121.8016 -98.2672 -4.0488 -4.1153 -6.0282 9.9662 -16.7503 6.7841 -4.0488 -4.1153 -6.0282 18.4101 -49.4507 9.1245 5.6600 -6.3225 2.1234 10.2694 10.3074 6.6016 8.5645 -1850.7564 -1346.9731 -626.4110 14.2853 3.5795 -12.7592 -9.5518 -6.2805 -19.7018 -521.1164 -402.4427 -324.5087 -2.3398 -9.1359 -9.4974 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 1-A -653.7374534 2.915E-9 8.104E-6 0.2473491 0.2615114 -653.4759419 -653.4749977 -653.5290666 7.1075468,-12.8400667,5.7325199,-4.0819561,-2.878893,-2.674166 C01[X(C13H15O2)] 1.1384689 -2.0396896 1.1659576 1.2514568 0.3083691 0.2381727 0.3253018 0.9438097 0.7901423 0.1814604 0.7508584 0.8310328 -0.8628213 -0.3163747 -0.2482113 -0.3379397 -0.9224275 -0.5663649 -0.2967661 -0.6776737 -0.961989 -0.0051965 0.0356437 0.0452135 0.0587334 0.0307389 -0.0933333 0.0880076 -0.1133688 -0.0171965 0.0434527 0.3701608 0.0903787 0.26036 -0.144259 -0.0150701 0.1297814 0.0184343 0.3972154 1.1419091 0.5225546 -0.2417624 0.7261595 1.5916698 -0.1626543 -0.04828 0.07783 -0.0129352 -0.9553964 -0.4586274 0.1138969 -0.098081 -0.2939496 -0.0025461 -0.4946466 -0.039944 -0.6993832 -0.7771076 -0.3088492 -0.3147777 -0.2569286 -0.2002162 -0.1932825 -0.1462059 -0.0746132 -0.136165 0.162103 -0.0440326 0.1250821 0.0195715 0.2418192 0.2291413 0.1090435 0.1299886 -0.1957588 -0.2333114 0.3397859 -0.3602392 0.2535554 -0.4208861 0.1148437 -0.2067555 0.0415893 0.1354539 -0.0317624 -0.2793376 0.2116625 -0.44013 -0.1432835 -0.1653322 0.1819852 -0.1652962 0.2455338 0.1640357 0.2334426 0.2078027 0.3821185 -0.1756675 -0.1724076 0.2394833 -0.0524689 0.0354803 -1.0505097 -0.3285931 0.1755943 -0.8080394 -1.9972765 0.2075688 0.0855551 0.0080751 -0.4707679 0.0619965 -0.0235929 -0.0237644 -0.0168015 0.1089522 0.0244682 -0.0036161 0.0230865 0.0873941 0.0776871 -0.0235868 -0.0326014 -0.046201 0.0647688 0.0049337 0.026039 -0.0192389 0.0224401 0.1002987 -0.011049 0.0572574 0.0372454 0.0633491 -0.0061338 0.0173222 0.0049401 0.0438073 0.3388867 -0.1385183 0.0046749 -0.2204068 -0.0197065 0.0521952 0.0266432 0.0597813 0.29162 0.0218068 0.025397 -0.0904558 -0.0154244 0.2191016 -0.0255144 -0.0933176 0.0408529 -0.1390388 -0.0103175 0.0034555 0.1120591 0.0132504 0.2017167 -0.0322434 0.1188635 0.0422335 -0.0758805 -0.0520598 0.0351634 0.0668213 0.0770019 0.039213 -0.0862205 0.1171392 -0.0748838 -0.0340594 0.0065464 0.0035689 -0.0425283 0.0046264 0.0656495 0.042779 -0.1424898 0.0340761 -0.1001879 0.0270917 0.0055842 -0.0055261 -0.0937596 -0.1743363 0.0475911 -0.0044018 0.0392682 0.0688444 0.0234596 -0.006232 -0.0418048 -0.0387743 0.0205292 0.1093024 0.013746 0.1167041 -0.1268505 0.0536048 -0.0837003 -0.0177321 -0.1436176 -0.0410433 -0.0433515 -0.0500595 -0.0723745 0.0035064 -0.1033488 0.0703555 0.0553879 0.1539435 -0.0317327 -0.0439789 0.0569966 -0.0175094 0.083267 -0.0479059 -0.0069983 -0.1053023 -0.0523589 0.0091923 -0.1002569 -0.1278577 -0.0685049 -0.039364 0.0074694 -0.0055467 -0.0221839 0.0698086 -0.1494143 0.107546 -0.0408114 0.0937394 0.0501802 -0.0447872 0.0228622 0.0519082 -0.0005904 0.1084514 0.0013031 0.1258861 -0.0118101 -0.0604537 -0.1498317 0.1081216 0.1014107 0.1092365 0.0420522 -0.0128756 0.2799838 -0.1028373 -0.2447468 0.144225 -0.1419243 0.0007967 0.0379811 -0.111452 0.0222213 -0.0002467 0.0298879 0.0568951 -0.3016739 0.0924981 -0.1112299 0.0401592 0.0746375 -0.03247 -0.1424813 -0.0208219 -0.0378935 222.8522028|0.0523404|177.2028298|-1.3254425|-4.907577|161.7853216 -0.000006418 0.000002518 0.000011301 0.000002563 -0.000007366 -0.000008272 0.000004524 0.000001546 0.000002157 0.000001615 -0.000017027 -0.000011206 -0.000002457 0.000039180 0.000006014 -0.000021579 -0.000011149 0.000001530 -0.000000562 0.000010643 0.000004247 0.000012573 -0.000006611 -0.000002186 -0.000004515 0.000003793 0.000005204 0.000006708 0.000005683 -0.000007057 0.000011314 -0.000020774 0.000000035 -0.000006491 -0.000018205 -0.000006660 -0.000005557 0.000004614 -0.000003695 -0.000008213 0.000004722 0.000008531 0.000003251 0.000014596 0.000004247 -0.000001173 -0.000008117 -0.000003366 0.000003151 0.000006295 0.000000907 -0.000002790 0.000001909 -0.000001640 0.000000480 -0.000008446 0.000000263 0.000005889 -0.000013382 0.000000408 0.000004015 -0.000006856 0.000004711 -0.000003805 0.000000617 -0.000001957 0.000001834 0.000008724 -0.000000976 0.000001238 0.000002948 0.000003663 0.000002218 0.000008035 0.000001706 0.000004160 0.000007430 0.000003764 0.000002568 0.000007297 -0.000001561 -0.000002275 -0.000003627 -0.000003121 -0.000004165 -0.000000230 -0.000005450 0.000001897 -0.000008759 -0.000001540 188.13789999999995 AuxInfo=1/0/N:16,13,15,14,10,9,6,7,5,1,11,8,4,12,2/CRV:5.3,6.3,7.3,9.3,10.3,14.1,15.1/rA:30C3O1HCC3C3CCC3C3CO1CCCCHHHHHHHHHHHHHH/rB:s1;;;s4;s5;s1s3s4;s4s7;s8;s9;s1s6s10;s5;s11;s4;s8;s6;s9;s10;s13;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;