Orca 5.0.4 RELEASE 1 2 3 4 7s4p1d 7s6p5d1f 10s7p1d 4s1p 3s2p1d 5s3p2d1f 4s3p1d 2s1p 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 C C C C C Rh P P H H H H H H H H H H H 1 1 1 1 1 2 3 3 4 4 4 4 4 4 4 4 4 4 4 1 Rh ECP Def2-ECP 5 Rh 1 224.906522 AuxInfo=1/0/N:1,5,2,4,3;7;8;6/E:(1,2)(3,4);;;/CRV:1.2,2.2,3.3,4.3,5.3;;;/rA:19nC3C3C3C3C3RhP4P4HHHHHHHHHHH/rB:s1;s2;s3;s4;s1s5;s6;s6;s8;s8;s8;s7;s7;s7;s3;s4;s2;s1;s5;/rC:-.862,-.4792,-1.307;-2.2008,-.0924,-1.1329;-2.716,-.2691,.14;-1.8262,-.9389,1.0121;-.5649,-1.2068,.5305;.8906,-.2419,-.5211;3.137,-.5426,.0382;.5293,1.793,.1524;1.1678,2.2977,1.321;.7588,2.9321,-.6734;-.8251,2.0502,.5017;4.1667,-.2927,-.9175;3.7144,.2519,1.0705;3.6883,-1.7772,.4992;-3.7262,.0306,.4289;-2.1293,-1.2575,2.014;-2.8007,.2678,-1.9729;-.5024,-.7019,-2.337;.1009,-1.8233,1.1532;/R:/0/N:3,2,4,1,5,7,8,6/E:(2,3)(4,5)(6,7)/CRV:1.3,2.3,3.3,4.3,5.3,6.4,7.4 Method DFT(GTOs) Exchange PBE PBE kappa parameter XKappa 0.804000 XMuePBE 0.219520 Correlation PBE PBE beta parameter CBetaPBE 0.066725 LDAOpt PW91-LDA PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.250000 ScalDFX 0.750000 ScalDFC 1.000000 ScalLDAC 1.000000 Perturbative correction 0.000000 Density functional embedding theory OFF NL short-range parameter 6.900000 RI-approximation to the Coulomb term is turned on functions 557 RIJ-COSX (HFX calculated with COS-X)) on IntName reaction-12_nebts_freq HFTyp RHF Charge 0 Mult 1 NEL 88 Dim 192 ENuc 637.6882221168 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-05 Converg. threshold II (energy diff.) 1.000e-08 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 2.500e-11 Eh TCut 2.500e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-08 Eh 1-El. energy change 1.000e-05 Eh TolErr 5.000e-07 Smallest eigenvalue 8.483e-04 Time for diagonalization 0.006 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.003 sec Total time needed 0.010 sec 0 1 PBE0 D3BJ def2-SVP def2/J RIJCOSX TightSCF defgrid3 EnGrad Freq pal8 maxcore 4000 0.00 0.00 0.00 0.00 0.00 0.00 -488.21 54.98 61.20 92.07 100.60 104.46 142.60 227.32 288.18 343.17 407.74 429.52 472.67 483.50 530.20 540.44 592.24 617.19 644.89 656.78 692.43 783.29 826.23 892.95 948.51 1017.50 1040.67 1047.39 1070.62 1104.01 1112.12 1116.59 1120.15 1122.30 1132.25 1205.50 1305.46 1392.95 1508.28 1577.53 2392.27 2410.07 2413.33 2423.48 2426.10 2441.28 2983.68 3109.78 3192.49 3203.16 3226.79 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.056716 0.221841 -0.274819 0.040726 -0.009700 -0.039497 0.078214 -0.037340 -0.015554 0.065513 -0.009795 -0.000847 0.198273 0.001031 0.293850 -0.048301 -0.019957 -0.001702 -0.003597 -0.021880 0.014018 -0.001978 0.012013 0.003400 -0.012185 0.005098 0.011091 -0.004452 0.032726 0.028529 0.001755 0.020211 0.003202 -0.099197 0.035830 -0.068509 0.016696 0.025290 -0.032713 0.113146 0.022567 -0.000337 0.042306 -0.131469 -0.038035 -0.062421 -0.055594 -0.048119 -0.098784 -0.125862 0.003817 -0.069345 0.415594 -0.349496 0.038754 0.117812 0.568429 -0.032525 0.044488 0.021840 -0.042327 0.001287 0.101730 0.010857 -0.119627 0.100833 0.065465 -0.167950 0.016530 0.052416 -0.079115 -0.052776 -0.007778 0.043468 -0.053878 -0.080063 -0.064579 0.148140 0.083291 0.063901 -0.066251 0.211667 0.097362 -0.150351 -0.000633 0.035714 -0.128375 0.125663 0.096822 0.074199 0.077937 -0.383585 0.233907 -0.097284 0.042765 0.076548 -0.311374 -0.056981 0.445572 0.011148 -0.177039 0.161805 0.112894 -0.257485 0.002273 -0.084214 0.043897 0.149984 -0.094099 0.057534 -0.004177 0.101140 -0.092038 -0.119082 -0.017189 0.005095 -0.033027 0.030515 0.128451 0.076742 0.118416 0.199697 0.124175 0.114603 0.110850 0.060397 0.055410 -0.023075 -0.027058 0.020099 -0.036810 -0.077932 -0.014916 0.054431 0.122607 -0.152504 -0.105175 0.021386 -0.246149 -0.166853 0.099014 -0.163556 -0.025735 0.127011 -0.196679 -0.242570 -0.048598 0.121025 0.171592 0.298672 -0.231616 0.041368 0.253448 -0.002292 0.068730 0.147313 0.171154 0.303478 0.200707 0.147123 0.130095 0.076663 -0.009669 0.171500 0.123510 -0.116526 -0.033790 -0.056482 0.024150 -0.117187 -0.087320 0.015788 0.002674 -0.002537 0.016964 0.012189 -0.009313 0.010980 0.016821 -0.011386 0.002164 0.009627 -0.006742 0.002509 0.001212 -0.000524 0.009193 0.006542 0.005804 0.010638 -0.024393 -0.017856 -0.055709 -0.007826 0.016234 -0.020773 0.038324 -0.022645 -0.159252 -0.004451 -0.007480 -0.052946 -0.081356 0.081060 -0.052001 -0.583979 -0.230615 0.242453 0.317017 -0.409181 -0.132177 0.085090 0.446288 0.011734 0.023861 -0.016040 -0.006296 0.010650 -0.008980 0.023285 0.016057 -0.012147 0.019389 -0.001929 -0.000429 -0.003775 -0.003883 0.000862 0.024752 -0.037176 0.013743 0.010897 -0.082625 -0.010997 0.022784 -0.038298 0.003071 0.052541 0.038322 0.026330 0.055981 0.055658 0.015216 0.025133 0.056385 0.004641 0.004278 -0.173980 -0.018553 -0.137800 0.042574 -0.014343 -0.310894 0.067929 0.067996 -0.103586 0.064061 0.025186 -0.196189 -0.043654 -0.173699 0.089192 -0.026986 0.111209 0.048245 -0.547584 0.242472 -0.181220 -0.379232 -0.350748 0.014033 -0.060070 -0.004829 0.075173 0.067044 0.041955 -0.001950 -0.138578 -0.025464 0.049356 -0.025210 0.020129 0.065464 0.067643 0.018434 -0.014335 -0.114964 0.003114 -0.033263 -0.166809 -0.050029 -0.016520 -0.028347 -0.023358 0.020979 0.117994 0.049396 0.020740 0.091199 0.057115 -0.010404 0.017880 -0.050744 -0.033680 0.009858 0.020531 0.070452 -0.020512 0.106405 -0.117617 -0.324929 0.339059 0.401100 0.105355 0.368809 0.029173 0.097817 -0.138055 0.035699 -0.183316 0.044126 -0.027527 0.097939 -0.049626 -0.146952 0.029184 0.206638 -0.025691 -0.032910 -0.051014 0.044134 0.219477 0.088626 -0.045705 -0.282905 -0.090418 0.022663 -0.170037 0.025619 0.029805 0.148944 0.104534 -0.000917 -0.020384 0.003143 -0.008258 -0.041715 -0.024327 -0.014213 -0.005480 -0.020444 -0.005424 0.047891 0.009083 0.000793 0.044740 0.023915 0.003872 0.003550 -0.015109 -0.007280 -0.005229 0.006406 0.007079 -0.015550 0.038638 0.401917 0.201186 -0.268178 -0.509451 -0.060841 -0.164307 0.109768 -0.191929 0.563235 0.042653 0.067541 0.078679 -0.080258 -0.055267 0.085938 -0.014837 -0.024445 -0.036963 -0.021714 -0.013789 -0.038281 -0.002910 0.084703 0.021548 -0.006705 -0.080805 -0.042151 0.023459 -0.023198 0.010844 0.002860 0.074373 0.050826 -0.071347 0.221825 0.097227 -0.121952 0.064295 0.064574 -0.216910 -0.158994 0.000584 -0.124950 0.006362 0.023023 -0.061002 0.200012 0.064035 0.060044 -0.019356 -0.034602 0.084905 -0.005670 0.025232 -0.034217 -0.064652 -0.024293 -0.166167 -0.116599 0.069322 0.023552 -0.015686 0.061078 -0.069091 -0.106363 -0.143575 0.176345 -0.007132 0.124349 -0.076120 0.082913 0.045186 0.092153 0.046781 0.155745 -0.310248 -0.407697 -0.068082 -0.093113 -0.041308 0.017856 -0.122117 0.022928 0.046250 -0.046660 0.347119 0.073334 0.007466 0.358122 0.150015 0.102536 0.062496 0.086470 0.101933 0.063338 0.021832 0.008205 -0.042038 -0.040426 -0.017628 -0.034013 0.006486 0.028226 0.041472 0.112827 0.108799 -0.015553 0.014982 -0.408949 0.058965 -0.098630 -0.005849 -0.042848 -0.016152 -0.080980 -0.069476 0.031504 -0.001897 -0.019069 0.021390 -0.038469 -0.116911 -0.088048 -0.422835 0.044176 -0.127299 -0.317427 -0.016845 -0.085831 -0.441764 0.009721 -0.173054 -0.026911 -0.100193 -0.105540 -0.074365 -0.046469 -0.014138 0.167932 0.121294 -0.000018 0.172347 0.045233 0.108510 0.042304 0.153760 0.199511 -0.100666 0.130028 -0.097738 -0.149875 -0.103903 -0.055198 0.002841 -0.036049 0.046134 0.164427 0.146276 -0.031458 0.070846 0.050975 -0.253018 0.013704 -0.018650 0.052215 -0.052153 -0.000519 0.000919 0.007933 -0.023207 0.000244 0.006881 0.128266 -0.063787 0.076672 -0.168997 -0.177677 0.010188 0.066716 -0.063945 -0.142196 0.040021 -0.084981 -0.051888 0.104851 -0.080408 0.078580 0.067665 0.025867 0.007320 -0.122091 0.150663 0.365085 0.227236 0.052999 -0.293826 -0.292564 -0.032980 -0.054363 0.339623 -0.115385 0.105295 0.010236 -0.314601 -0.022632 -0.016741 0.018850 -0.022380 0.000739 0.003785 -0.021827 -0.000576 0.008781 -0.005299 0.006531 -0.003496 -0.010927 0.020259 -0.036357 0.036154 -0.121812 -0.036980 -0.017461 -0.024344 -0.011503 -0.054710 0.372884 0.116629 -0.164965 0.373371 0.172366 -0.183375 0.465110 0.215251 -0.090043 0.183834 0.099718 0.012770 0.148891 0.061923 -0.271980 0.209935 -0.043775 0.267352 0.164552 0.158664 -0.022704 -0.008306 0.016839 0.017499 -0.005740 -0.001270 -0.019422 0.003208 0.003155 -0.014628 0.059971 0.003103 -0.014105 0.009687 -0.040370 -0.009978 0.005283 -0.016252 -0.030402 -0.008197 0.012090 -0.022518 0.008802 0.011050 -0.016724 -0.001043 0.012338 -0.029436 -0.024634 0.002853 0.015429 0.004258 -0.015717 -0.011098 -0.004588 0.070672 0.003697 0.006149 -0.001985 -0.000105 -0.041625 0.019006 -0.066680 0.071840 0.068744 -0.001604 -0.077616 0.039342 -0.502018 0.101651 -0.435698 0.490664 -0.064099 -0.165924 0.267989 -0.034933 -0.341893 -0.027810 -0.004533 0.007741 -0.010439 0.019899 0.021456 -0.061602 -0.070869 0.006610 -0.115776 -0.160863 -0.016326 -0.020872 0.014250 0.027858 -0.021976 0.069801 -0.042208 -0.058044 -0.060890 -0.011580 -0.029757 0.043329 0.018094 -0.045627 0.027200 0.025936 -0.071089 -0.162661 0.031985 0.025600 -0.010171 -0.005146 0.014957 0.069037 -0.009026 -0.000291 0.018820 0.015041 -0.002738 0.116579 -0.027610 0.046491 -0.071721 -0.095676 0.000900 0.086691 -0.034149 0.196591 -0.306420 0.090466 0.292298 -0.331077 0.142209 -0.595420 -0.244192 -0.121445 -0.014597 0.089129 0.023469 -0.068651 0.135193 0.056569 -0.104186 -0.154388 -0.020892 -0.025205 0.108636 -0.050363 -0.090939 -0.098071 0.113160 0.002773 0.063788 -0.016532 -0.051607 -0.091212 -0.017901 -0.010628 0.062870 0.014706 -0.055162 0.009808 0.042478 -0.082362 -0.173599 0.053308 0.029623 0.033065 -0.003081 -0.008240 -0.064061 -0.021912 0.002145 -0.012081 -0.004547 -0.060704 0.043558 0.008544 -0.012996 -0.020471 -0.021632 -0.019598 -0.045728 -0.058136 -0.002315 0.267427 0.072114 -0.466458 0.330646 -0.067225 0.465736 0.242386 0.237310 0.001452 0.116951 0.003113 -0.123541 0.069890 0.043829 -0.100219 -0.221083 -0.040190 -0.032763 -0.058175 -0.001950 -0.138377 -0.232142 0.045471 -0.063628 -0.021975 -0.081169 -0.070530 -0.014339 -0.011787 -0.002900 0.057734 0.030179 -0.019952 -0.065924 -0.047198 0.012962 0.033289 -0.004622 0.017794 0.001131 0.024715 0.001376 0.005977 -0.017640 0.007037 0.010265 -0.054055 0.090112 -0.468887 0.108835 -0.175591 0.410162 0.444699 0.031465 -0.260217 0.244310 0.103861 -0.045826 0.082661 -0.074365 -0.025022 0.049522 -0.116995 -0.021713 0.048278 0.041455 0.138377 0.102744 -0.006383 -0.086533 -0.049273 -0.133778 -0.053197 0.014133 -0.161608 -0.200992 -0.065386 0.043123 0.132954 0.064812 0.081387 0.106251 0.101481 0.060208 0.067353 0.002510 -0.001377 -0.102680 -0.067924 0.082851 0.128699 0.044379 -0.019411 -0.151809 -0.044867 -0.025054 -0.005987 0.002648 0.005917 -0.000415 -0.003295 -0.010911 0.015216 -0.045382 0.143897 -0.431251 0.063176 -0.080739 0.315921 0.349186 0.047562 -0.071264 0.239301 0.030978 -0.006000 0.022464 -0.006343 -0.016546 0.017958 -0.011281 -0.006630 0.002566 -0.091758 -0.331284 -0.146795 0.130456 0.387164 0.141130 0.077892 -0.086847 -0.072919 0.034046 -0.145070 0.132880 0.009831 -0.021502 0.052482 0.030649 0.048647 0.053363 0.011838 -0.041489 -0.007720 0.022005 0.021122 0.003997 0.002154 -0.016638 -0.004282 -0.007952 0.003822 -0.025984 -0.019350 -0.002838 -0.001791 0.001621 0.008490 0.001248 0.063144 -0.001443 -0.002747 -0.420975 0.279371 0.139611 -0.375445 0.123346 0.046954 -0.130342 -0.648927 -0.254929 0.011338 -0.025287 0.003551 0.023635 -0.019252 0.007798 -0.046734 -0.015915 -0.007155 0.038238 0.070784 0.008464 0.021796 0.012072 0.009768 0.031020 -0.067645 -0.030567 0.098343 0.091299 0.062632 0.035147 0.089140 0.011964 0.077660 0.074019 0.083174 0.035255 -0.150529 -0.005611 0.043314 0.069237 0.030046 -0.031754 -0.027517 0.031022 -0.036203 0.061120 -0.024984 -0.010289 -0.007433 -0.008360 -0.000147 0.002420 0.013010 -0.024976 0.001499 -0.027912 0.186113 -0.294022 -0.015167 0.082143 0.109683 0.151865 0.064805 0.153092 0.197713 -0.060833 0.003238 -0.054620 0.082161 -0.011761 -0.021823 0.024726 -0.012002 -0.058363 0.079160 0.221055 -0.004826 -0.084959 -0.257783 -0.059893 0.100543 -0.085524 -0.020752 0.333960 0.611485 0.043330 -0.037227 -0.112724 -0.200180 0.025848 -0.081164 -0.187649 0.059232 -0.008816 0.058145 -0.038103 -0.099332 0.010479 -0.024532 0.094706 0.144949 -0.092813 0.032987 -0.007818 0.008138 0.005765 0.006719 -0.005442 0.003634 -0.004534 0.022325 0.006009 -0.014336 -0.079542 -0.035981 0.059206 -0.135655 0.119547 0.100166 -0.024209 -0.235064 -0.003015 0.013780 -0.014514 0.012509 -0.006949 -0.006695 0.003991 -0.030444 -0.002495 0.010447 -0.083283 -0.114015 -0.132168 -0.045133 -0.114122 0.072002 0.086570 0.399059 0.210639 -0.025215 0.283377 -0.281172 -0.181021 -0.429725 -0.374489 -0.061596 -0.015058 0.097221 -0.098354 0.024309 -0.058803 -0.020515 0.025702 -0.045001 0.068072 0.069719 -0.049594 0.108149 -0.003433 0.107980 0.003196 -0.001439 0.000417 0.000063 0.008190 0.002383 0.009174 0.002470 -0.008406 -0.037009 -0.020555 0.024597 -0.058917 0.046597 0.033676 -0.011778 -0.111413 -0.006378 -0.000616 -0.030149 -0.011479 0.057683 -0.034105 0.002001 -0.026116 -0.019216 -0.032698 -0.074115 -0.202287 0.007075 -0.181732 -0.350412 -0.256883 -0.041244 0.039577 -0.092643 0.016353 0.004010 0.116893 -0.202040 -0.709066 -0.258940 -0.067590 -0.082583 0.039023 -0.063242 -0.004481 -0.034034 -0.033329 -0.037673 -0.033873 0.019627 0.004417 -0.045135 0.032745 -0.077034 0.039380 0.006078 0.006594 -0.000292 0.000346 -0.007265 0.008546 0.003066 -0.000363 -0.009698 -0.015803 -0.034973 0.016735 -0.023663 0.052320 0.054299 0.006151 -0.024483 0.030253 -0.046716 0.035722 -0.033683 0.018285 0.033237 -0.032096 0.070761 0.017113 -0.016156 0.108928 0.264629 0.148548 0.104693 0.357894 0.093786 0.144422 0.541915 0.052308 0.154211 0.540463 -0.023940 0.085408 0.128930 0.187902 0.022735 -0.122478 -0.002189 0.088622 0.005449 0.141987 -0.132742 0.098798 0.060099 0.004922 0.067574 -0.140208 0.039900 -0.067129 -0.034678 0.000611 0.006327 0.000818 -0.002675 -0.003993 -0.000908 0.005553 0.000356 -0.004718 -0.007653 -0.023400 0.012353 -0.015481 0.018038 0.014705 -0.004792 -0.061664 0.002617 -0.014055 0.026939 -0.003873 -0.024556 0.026614 -0.011532 0.011770 0.011305 0.013706 -0.305278 -0.352558 -0.090626 0.059383 -0.142886 -0.192215 0.086167 -0.438753 -0.044738 -0.133272 0.500766 -0.183386 -0.082345 0.113325 0.274330 -0.108979 -0.100824 0.005932 -0.010973 0.147800 -0.093619 0.150481 0.002822 -0.014202 -0.025954 -0.035526 0.111670 -0.056817 -0.022897 0.011117 0.005848 0.003880 -0.000060 -0.001144 -0.001863 0.003847 0.004589 -0.000833 -0.004987 -0.024161 -0.001665 0.013886 -0.014798 0.034100 0.036282 0.001186 -0.032924 0.016592 -0.013208 0.008317 -0.008463 0.017922 0.010698 -0.016564 0.020228 0.002282 -0.013693 0.010685 -0.373525 -0.108675 -0.169426 -0.036794 0.067669 -0.328947 -0.480123 -0.134790 0.229377 0.482708 -0.002218 0.190768 0.176460 -0.057828 0.007928 -0.003762 0.001577 0.041697 0.043966 0.026556 -0.032474 -0.019318 -0.003080 -0.051478 -0.087117 -0.045076 0.037408 0.057856 0.042411 -0.000291 -0.000453 -0.000842 -0.001741 0.002084 0.000208 0.001057 0.001919 -0.002164 0.003458 -0.028823 0.009261 -0.002998 0.002300 0.000290 -0.002219 -0.028333 0.004665 0.000605 -0.008283 0.000265 0.012317 -0.007423 0.000008 -0.004748 -0.000779 -0.003121 0.044362 0.186521 0.054655 0.190346 0.609285 0.251227 -0.053214 -0.386946 -0.090604 -0.081061 0.114090 -0.051556 -0.092887 -0.428598 -0.295859 -0.003557 -0.011797 0.001888 0.031514 0.073872 0.015714 -0.068837 -0.120900 -0.035495 0.028189 0.070181 0.026654 0.001078 -0.020773 -0.008209 0.000537 0.000781 -0.000101 0.000434 -0.000768 0.000113 0.001406 -0.000823 -0.000895 -0.013572 0.002600 0.006187 -0.016258 0.008334 0.006704 0.004118 0.002629 0.000494 -0.008477 0.006986 -0.006767 -0.012109 0.009654 -0.001640 -0.008372 -0.003260 -0.000245 0.252063 0.708285 0.234556 -0.101486 -0.362640 -0.149632 -0.078115 -0.392206 -0.107373 -0.005075 0.043682 -0.009997 0.014333 0.057356 0.055427 0.002277 -0.000496 -0.009390 -0.002031 0.003797 -0.005146 -0.006159 -0.004526 0.010930 -0.004111 0.001502 -0.000966 0.001596 -0.003031 -0.002800 -0.000730 0.000485 -0.000082 -0.029196 -0.000035 -0.006748 -0.007539 0.032644 0.011479 0.238790 -0.354820 0.020625 0.148878 -0.234207 -0.282017 -0.116184 -0.410156 -0.116030 0.277483 -0.031454 0.288246 0.367005 -0.135328 -0.096147 0.316470 0.146764 0.026636 0.003616 0.004570 0.037905 -0.001710 -0.005482 -0.002062 -0.020518 -0.000402 0.004896 0.107252 -0.015275 0.030106 -0.017368 0.017039 0.038645 -0.002427 0.000321 0.009025 0.000124 -0.001888 -0.007405 0.006211 -0.002401 -0.004454 -0.003014 -0.001903 0.008864 0.004102 -0.002200 -0.001555 -0.000335 -0.000126 -0.000415 0.034109 -0.002165 0.007360 -0.008810 0.031936 0.011194 0.227591 -0.296854 0.010984 0.179957 -0.210278 -0.246834 -0.111013 -0.395503 -0.094005 -0.310914 0.052659 -0.324213 -0.395911 0.144157 0.114394 -0.339949 -0.155612 -0.008945 0.006666 0.003106 -0.007086 -0.029626 0.002519 0.003451 0.021027 0.016847 -0.014948 -0.062994 0.023156 -0.017978 0.012442 0.010025 0.004077 0.035912 -0.016835 -0.049738 -0.016132 0.030363 0.004903 -0.001914 -0.025574 0.060403 -0.006302 0.012312 -0.052330 -0.023014 0.019108 -0.012886 -0.000819 0.000595 -0.002325 0.007450 -0.001310 0.004021 0.000720 -0.000762 -0.001953 -0.009748 0.000287 0.004226 -0.025240 0.020266 0.018560 0.005024 0.024534 0.000158 -0.054336 0.013046 -0.057457 -0.075284 0.062739 -0.005214 -0.065831 -0.044555 -0.041050 0.032087 -0.101089 0.255374 0.084047 0.051416 -0.016682 -0.249295 -0.017793 0.147249 0.711646 -0.129509 0.203322 -0.384058 -0.107250 0.256947 0.036848 -0.007612 -0.053138 -0.034011 0.043147 -0.057985 -0.171983 0.084182 0.010653 0.035112 -0.054875 0.102492 0.059610 -0.038090 0.024452 -0.002363 -0.001342 0.000473 0.002902 -0.000005 0.000896 -0.001174 -0.000551 -0.000058 0.000850 0.024961 -0.010697 0.026153 0.003267 0.011533 -0.000350 -0.009201 0.008839 -0.026412 -0.024435 -0.035761 -0.046967 0.001024 0.025771 -0.001948 -0.006400 -0.007664 -0.263094 0.119644 -0.280426 0.457753 -0.210683 0.193589 0.091121 -0.023408 -0.191289 0.463895 -0.101211 0.108815 0.373923 0.061763 -0.212187 0.029811 0.002185 -0.029460 0.005418 0.010786 -0.054503 -0.034401 0.000193 0.061057 -0.017392 0.008193 0.010128 -0.013298 -0.002662 0.007545 -0.000665 -0.000069 -0.000329 -0.000350 -0.000210 0.000068 -0.000206 -0.002573 0.002691 0.069139 0.019519 -0.044942 -0.037878 0.042228 0.048945 -0.019414 0.024228 -0.088276 -0.008003 -0.000339 -0.007257 -0.005531 -0.003357 0.005376 -0.000377 0.001312 0.004393 0.056314 -0.269969 0.678597 -0.217351 0.063503 -0.029205 0.430190 -0.017383 -0.376057 0.009795 -0.031382 -0.033906 0.163935 0.041398 -0.146441 0.006766 0.001708 -0.008544 0.003681 -0.001612 0.007458 -0.005312 -0.000616 0.006168 -0.005671 0.007910 -0.010268 0.002246 -0.005041 0.005475 -0.000567 -0.000147 -0.000461 -0.001184 0.005779 0.001027 0.001675 0.010131 -0.021465 -0.485260 -0.004224 0.263579 0.278450 -0.195577 -0.198038 0.147090 -0.115455 0.631188 0.001344 -0.170453 -0.044153 -0.079851 -0.042070 0.077055 0.109067 0.026448 -0.059882 0.008432 -0.034513 0.088513 -0.111001 0.041028 -0.031133 0.007918 0.002139 0.005970 0.043808 -0.037180 0.011898 0.102416 0.028001 -0.073354 0.013602 -0.004428 -0.005457 -0.001523 -0.006686 0.030009 -0.003640 -0.000264 -0.006658 -0.005866 0.015662 -0.026322 0.007692 -0.011280 0.010476 -0.000666 -0.000223 0.000036 -0.001009 0.019418 -0.005728 0.002664 -0.001420 0.007485 0.112210 -0.071394 -0.028069 -0.175044 0.033032 0.000207 -0.034527 0.092506 -0.203469 -0.092220 -0.479168 -0.228743 -0.222723 -0.325824 0.380664 0.342794 0.170219 0.039665 0.001188 0.010689 -0.008523 -0.178858 0.079037 -0.059062 -0.151316 0.005402 0.143641 0.097275 -0.008376 0.024033 0.196026 0.046987 -0.142422 -0.017129 -0.001762 0.014722 -0.001449 0.011036 -0.041680 0.016189 -0.005617 0.005337 0.013328 -0.022025 0.030518 -0.026143 0.020731 -0.016612 0.001369 0.001481 -0.000296 -0.002969 0.011781 -0.002493 -0.012277 -0.004496 -0.003838 0.101486 0.267887 -0.172503 0.352036 0.078265 0.205448 -0.029156 -0.218770 0.075921 -0.008171 -0.293888 -0.088197 -0.112862 -0.151660 0.180777 0.211754 0.086635 -0.031075 0.016397 -0.007752 0.014786 0.323220 -0.129868 0.088546 0.179893 -0.013981 -0.183054 -0.154412 0.052500 -0.043710 -0.370322 -0.072577 0.269751 -0.012050 -0.001767 0.009920 -0.004325 0.009941 -0.037855 0.010575 0.002223 0.006116 0.010373 -0.019719 0.029346 -0.019851 0.015553 -0.012081 0.001644 0.000768 -0.000229 0.001680 0.002935 -0.006299 0.017232 0.006054 0.001884 -0.194702 -0.365231 0.264973 -0.445218 -0.128123 -0.302312 0.058877 0.289802 -0.026098 -0.069085 0.000964 -0.077107 0.001833 -0.148585 0.115325 0.023520 0.069244 0.153520 0.005749 -0.016467 0.016167 0.274361 -0.114969 0.078578 0.167396 -0.009714 -0.170821 -0.120290 0.043838 -0.037654 -0.269352 -0.049636 0.198690 -0.014337 0.003805 -0.000800 0.006571 -0.001942 -0.003458 0.002856 -0.000120 0.002088 -0.001855 -0.002455 0.007005 0.003688 -0.000389 -0.004263 0.000464 0.000282 0.000680 -0.003769 0.005259 0.021318 0.004306 0.001851 0.003489 0.009670 -0.108290 0.045648 -0.151082 -0.017409 -0.066184 -0.004761 0.081866 -0.086534 0.211790 -0.397926 0.128888 -0.227681 0.403782 -0.178271 0.133156 -0.181144 -0.644966 -0.004481 0.007243 -0.030965 0.022141 -0.012818 0.011349 0.057341 -0.003470 -0.039979 -0.041523 0.000712 -0.007728 -0.031799 -0.006667 0.030196 0.181539 -0.039863 0.037807 -0.068344 0.020271 -0.037384 -0.007070 0.028207 -0.067281 0.041967 0.001472 -0.038344 -0.115150 0.008127 0.078676 -0.002705 -0.001129 -0.000115 -0.000986 -0.000142 -0.000759 -0.001420 0.000374 0.002587 0.002240 -0.004681 0.002362 0.015962 -0.028227 -0.029142 -0.001491 -0.006825 -0.002813 0.042370 -0.012243 0.044979 -0.015554 0.051244 -0.032012 -0.013339 -0.026657 -0.051634 0.078707 -0.141276 0.411229 0.474136 -0.172428 0.030453 -0.464452 0.030114 0.239912 -0.302218 0.119306 -0.184062 0.141192 0.082798 -0.157651 0.192078 -0.053166 0.028396 -0.106155 0.044523 -0.063505 -0.077354 0.033554 0.009133 0.020434 -0.070500 0.138324 0.132378 0.018635 -0.128937 -0.003214 -0.000687 0.000725 -0.003324 0.001798 -0.002493 0.001230 -0.003679 -0.000854 -0.022845 0.013424 0.003390 -0.008542 -0.001542 0.000628 0.015637 0.024900 0.012434 0.021587 -0.020021 0.022052 -0.002132 -0.001978 -0.000718 0.009211 0.006367 -0.010389 -0.103347 0.061638 -0.027661 -0.665809 0.235325 0.049873 -0.262278 0.056444 0.031166 -0.213717 0.116295 -0.174762 -0.298293 -0.041725 0.320480 -0.076036 0.023271 0.060538 0.215247 -0.037199 -0.180230 -0.057078 0.002980 0.053781 -0.224034 0.067854 0.050150 0.172947 -0.049134 -0.057589 -0.000147 0.001300 -0.001218 -0.001437 0.000395 0.001252 0.002218 -0.001073 -0.003461 -0.011629 0.000951 0.004844 -0.018466 0.026704 0.028602 0.007605 0.010946 0.015366 -0.015723 -0.001691 -0.016027 0.008830 -0.012122 0.004598 0.007866 0.010800 0.005712 -0.017021 -0.116129 0.371047 0.281272 -0.200422 0.133353 -0.496052 0.183381 0.418031 -0.210660 -0.023978 0.041437 0.085073 -0.082989 0.059262 -0.163915 0.036847 -0.022362 0.140580 -0.068904 0.105497 -0.115700 0.147114 -0.318774 0.175213 -0.120650 0.135979 -0.026240 0.029912 -0.027049 0.001623 -0.000337 0.001465 0.001617 -0.000163 0.000273 -0.000761 0.000471 0.001587 0.009288 -0.006783 -0.001914 -0.000626 -0.008914 -0.018740 -0.006910 0.001992 -0.010301 0.003400 0.000971 0.000185 0.003256 -0.002041 -0.000357 0.002198 -0.001353 0.001080 0.036513 -0.237021 0.646559 -0.190572 0.062546 0.110298 -0.096743 -0.062120 0.312825 0.131991 -0.003010 0.127862 -0.202187 -0.009094 0.135613 -0.071758 0.018410 0.036032 0.216005 -0.008547 -0.258013 -0.142543 -0.023178 0.246642 0.305764 -0.083499 -0.072085 -0.204115 0.036286 0.084457 0.000625 0.000916 -0.000800 0.001034 -0.000426 0.000757 0.000053 0.000494 -0.000095 0.001933 -0.010219 0.009592 -0.002565 -0.000552 -0.007513 -0.009376 0.009824 0.005182 -0.003340 0.001156 -0.004504 0.000483 -0.000410 0.000670 0.001390 -0.001200 0.000228 -0.273922 0.177446 -0.262201 -0.403807 0.250210 -0.194240 -0.326554 0.118977 0.146057 -0.197047 0.026372 -0.000766 -0.115965 0.053992 -0.072513 0.000323 0.000439 -0.000155 -0.000307 0.000075 0.000229 0.000068 0.000107 -0.000399 0.000467 -0.000104 -0.000046 -0.000334 0.000009 0.000703 0.000052 -0.000051 0.000004 0.009697 -0.027872 0.011225 -0.000295 -0.001951 0.000113 0.016493 0.010858 0.030418 0.010454 0.047970 -0.038025 -0.017550 0.001462 0.004339 0.050034 -0.000800 -0.036484 0.008380 -0.009557 0.008255 -0.365261 0.868720 -0.318327 -0.000147 -0.000547 -0.000315 0.000099 -0.000667 0.000170 0.000003 0.000222 -0.000407 -0.000309 -0.001785 -0.000509 0.001039 -0.000482 -0.001930 0.000151 0.000009 -0.000394 0.000072 -0.000027 -0.000150 -0.000004 0.000259 -0.000076 0.000358 -0.000267 0.000116 -0.000190 -0.000043 0.000130 -0.000157 0.000095 0.000103 -0.020391 -0.007157 0.014266 0.001604 0.013745 -0.005659 -0.053847 -0.032752 -0.100187 -0.083062 -0.388521 0.296796 0.089612 -0.009135 -0.025951 0.594369 0.149716 -0.573711 0.050467 0.088270 0.121016 -0.005614 -0.019143 0.012218 -0.000027 -0.000082 -0.000031 -0.000161 -0.000002 0.000220 -0.000476 -0.000207 -0.000177 -0.002575 -0.000012 -0.001139 0.000011 0.000562 0.000428 0.000926 0.000104 -0.000238 -0.000531 0.000105 0.000128 -0.000039 -0.000260 0.000136 -0.000565 0.000198 -0.000018 0.000324 0.000112 -0.000246 -0.000011 -0.000093 0.000046 -0.012759 -0.000939 0.009385 -0.003027 -0.022201 0.013207 0.033672 0.017307 0.069572 0.140797 0.664783 -0.501972 -0.084316 0.005613 0.028131 0.363561 0.092192 -0.348496 0.005566 0.015374 0.024102 0.027369 -0.079275 0.033387 0.000454 0.000097 -0.000018 0.000038 0.000608 -0.000377 -0.000407 -0.000715 0.000347 -0.001763 0.000859 0.000227 -0.000157 0.000618 -0.000946 0.000523 0.000096 -0.000011 -0.000358 0.000019 0.000297 -0.000008 -0.000005 -0.000293 -0.000130 0.000045 0.000032 0.000352 -0.000050 0.000052 0.000026 -0.000099 -0.000015 0.005176 0.013241 0.020339 -0.003853 -0.003412 -0.019419 0.280197 0.204226 0.498910 -0.026390 -0.114618 0.075329 -0.136743 0.023235 0.024764 0.115471 0.032920 -0.097427 -0.292335 -0.426894 -0.546190 0.011849 -0.011585 0.016790 0.000141 -0.000040 -0.000050 0.000206 -0.000261 -0.000156 0.000092 -0.000126 -0.000098 -0.000424 -0.000032 -0.000479 0.000117 0.000032 0.000945 -0.000311 -0.000157 -0.000093 0.000419 0.000002 -0.000328 0.000100 0.000005 0.000325 0.000259 -0.000072 -0.000213 -0.000519 -0.000183 0.000109 -0.000004 0.000076 0.000058 0.007168 0.010415 0.015869 0.005498 0.006936 0.022189 -0.339917 -0.255507 -0.613119 0.016188 0.065659 -0.039230 0.157194 -0.026501 -0.030116 0.035379 0.010986 -0.024552 -0.252027 -0.359448 -0.462974 -0.005843 0.027608 -0.001792 -0.000290 0.000110 -0.000021 0.000484 0.000384 0.000589 -0.000175 0.000127 -0.000455 -0.000059 0.000096 -0.000889 0.000940 0.000424 -0.000405 0.001086 0.000481 0.000147 -0.000971 0.000206 0.000429 -0.000054 -0.000154 -0.000444 -0.000544 0.000197 0.000178 0.000718 0.000207 -0.000273 0.000005 -0.000155 -0.000043 -0.000546 -0.000188 0.000045 0.033202 -0.000640 -0.003314 -0.097608 -0.078369 -0.189648 -0.006263 -0.070644 0.052433 -0.922185 0.173570 0.241514 0.013270 0.002717 -0.012295 0.005223 0.008756 0.010989 0.001904 -0.004207 0.001141 0.000371 0.000593 0.000241 -0.000035 -0.000715 -0.000253 -0.000388 -0.001699 -0.000157 -0.001101 -0.000078 -0.000090 0.000021 0.000206 0.000506 -0.033965 0.017665 0.074047 0.002307 0.000219 -0.001521 -0.000289 0.001022 -0.001328 0.000538 -0.000241 -0.000427 0.001605 -0.000588 0.000287 0.000238 0.000031 0.000466 -0.000012 -0.000011 -0.000118 -0.000057 -0.000047 -0.000113 0.000553 -0.000386 0.000281 0.000093 0.001375 0.000041 -0.000736 0.000002 -0.000100 0.001235 0.000052 -0.000020 0.000245 0.000085 0.000585 0.000840 -0.000281 0.000355 -0.001287 -0.001101 0.001675 0.002078 0.000426 -0.000754 0.023314 -0.018971 0.037605 0.314216 -0.203992 -0.922086 -0.007556 0.005973 -0.004739 0.000678 0.000679 0.000291 0.000408 -0.000304 -0.000203 0.000634 -0.000098 0.000833 0.001289 -0.003495 0.007124 -0.056372 0.045786 -0.041810 0.000033 0.000084 -0.000190 -0.000222 -0.000067 0.000071 -0.000009 -0.000042 0.000063 -0.000010 0.000258 0.000039 0.000106 0.000527 -0.000539 -0.000120 0.000180 0.000021 -0.000350 -0.000055 -0.000795 0.000389 0.000030 0.000270 0.001191 0.000663 -0.000265 -0.008172 0.002365 0.001192 0.034238 0.036974 -0.122005 0.001993 -0.001471 0.001424 0.002093 -0.001418 -0.011571 0.608205 -0.550495 0.549820 0.000515 -0.000036 -0.001434 -0.009632 0.005512 -0.012405 0.024658 -0.006519 -0.009406 -0.023024 -0.022830 0.072805 0.009799 -0.006484 0.004561 0.000036 -0.000003 0.000009 0.000047 0.000036 -0.000009 -0.000015 0.000018 0.000012 -0.000065 -0.000530 -0.000305 0.000078 -0.000783 -0.000080 0.000525 -0.000184 -0.000108 0.000029 -0.000040 0.000173 -0.000175 -0.000113 -0.000138 -0.000837 0.000202 -0.000225 -0.311707 0.091630 0.092069 0.249596 0.266365 -0.832119 0.107713 -0.064680 0.150577 -0.003415 0.002088 0.009928 -0.073960 0.066370 -0.065688 0.003784 -0.001365 -0.003527 -0.042740 0.025655 -0.059268 0.025426 -0.008781 -0.003446 0.007340 0.008075 -0.025370 -0.003383 0.001818 -0.000505 0.000021 0.000004 -0.000006 -0.000005 0.000011 -0.000004 -0.000015 0.000003 0.000018 0.000068 -0.000097 0.000007 0.000042 -0.000425 -0.000169 0.000364 -0.000129 -0.000098 0.000119 -0.000020 -0.000002 -0.000150 -0.000039 -0.000078 -0.000318 0.000079 -0.000115 -0.301041 0.090935 0.082009 -0.083054 -0.090175 0.279786 0.487863 -0.292618 0.683574 -0.013737 0.007879 0.033953 0.022324 -0.018943 0.018980 0.002443 -0.000487 -0.001632 -0.017576 0.012476 -0.032045 -0.073980 0.021489 0.022492 -0.003208 -0.008084 0.021735 0.002689 -0.001308 0.000792 -0.000023 -0.000017 -0.000003 0.000050 -0.000014 0.000008 -0.000005 0.000062 0.000018 -0.000192 -0.000351 -0.000286 -0.000042 -0.000613 0.000047 0.000401 -0.000010 -0.000015 -0.000306 -0.000001 0.000114 -0.000287 -0.000089 -0.000199 -0.000278 0.000262 -0.000134 0.815001 -0.240491 -0.232913 0.060445 0.070163 -0.214274 0.216230 -0.131254 0.309680 -0.006990 0.002772 0.014661 -0.015035 0.012853 -0.012314 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 54.98 61.20 92.07 100.60 104.46 142.60 227.32 288.18 343.17 407.74 429.52 472.67 483.50 530.20 540.44 592.24 617.19 644.89 656.78 692.43 783.29 826.23 892.95 948.51 1017.50 1040.67 1047.39 1070.62 1104.01 1112.12 1116.59 1120.15 1122.30 1132.25 1205.50 1305.46 1392.95 1508.28 1577.53 2392.27 2410.07 2413.33 2423.48 2426.10 2441.28 2983.68 3109.78 3192.49 3203.16 3226.79 0.000730 0.000403 0.000482 0.001509 0.000962 0.000044 0.000178 0.006375 0.001356 0.004854 0.000178 0.001652 0.002536 0.000165 0.001372 0.000082 0.000503 0.000313 0.001935 0.003208 0.000340 0.000729 0.000449 0.000188 0.012659 0.015900 0.000063 0.000170 0.000498 0.000691 0.000971 0.000585 0.000789 0.000344 0.000749 0.000761 0.000709 0.000378 0.000531 0.003437 0.002312 0.003096 0.000121 0.002810 0.000223 0.000205 0.000023 0.000144 0.000140 0.000368 -0.018061 -0.017541 0.009789 0.001659 0.000573 0.019994 -0.013972 -0.012297 -0.011648 -0.014828 -0.035693 0.003942 0.013159 -0.010899 0.025892 -0.002060 -0.000169 0.006301 -0.006460 -0.003337 0.011167 -0.078727 0.010840 -0.007704 0.026137 0.022796 0.012395 -0.043066 0.052911 0.014140 0.001530 -0.013231 0.000545 0.023557 0.032193 0.007802 -0.042759 -0.024588 -0.010170 0.001274 -0.012315 -0.003382 -0.029407 -0.019522 -0.011244 0.004595 -0.007688 0.001298 -0.005442 0.021761 -0.000169 0.014404 -0.008093 -0.006360 -0.018878 -0.025435 -0.030523 -0.001270 0.054512 0.015317 0.016291 0.003683 -0.007811 0.000457 -0.026990 0.000731 0.010030 0.018123 0.004478 0.012859 -0.004727 0.000217 -0.066101 0.090745 0.007397 0.110352 0.057063 0.021595 0.000866 -0.006061 0.005098 0.004607 -0.009859 -0.007184 0.008909 -0.015221 0.013666 -0.000586 0.022837 -0.013013 -0.028373 0.012611 0.002573 -0.019885 0.003183 -0.013408 0.015382 0.022631 -0.006311 -0.000835 0.007187 0.017069 0.001590 -0.017533 0.020955 0.017461 0.017228 -0.012635 0.016837 0.012367 0.016513 -0.018002 -0.001895 -0.007105 -0.019501 -0.007396 0.009779 0.045601 -0.034070 0.014021 -0.039658 0.026068 0.007754 -0.037604 -0.038985 0.012751 0.009587 -0.005340 0.000689 0.029563 0.026651 0.035008 0.011153 -0.009714 -0.002051 -0.003355 0.002189 0.013737 0.003030 0.003368 -0.001626 -0.005616 -0.006178 0.008611 -0.001880 0.001761 -0.011529 -0.018963 0.001465 0.002521 224.906522 AuxInfo=1/0/N:1,5,2,4,3;7;8;6/E:(1,2)(3,4);;;/CRV:1.2,2.2,3.3,4.3,5.3;;;/rA:19nC3C3C3C3C3RhP4P4HHHHHHHHHHH/rB:s1;s2;s3;s4;s1s5;s6;s6;s8;s8;s8;s7;s7;s7;s3;s4;s2;s1;s5;/rC:-.862,-.4792,-1.307;-2.2008,-.0924,-1.1329;-2.716,-.2691,.14;-1.8262,-.9389,1.0121;-.5649,-1.2068,.5305;.8906,-.2419,-.5211;3.137,-.5426,.0382;.5293,1.793,.1524;1.1678,2.2977,1.321;.7588,2.9321,-.6734;-.8251,2.0502,.5017;4.1667,-.2927,-.9175;3.7144,.2519,1.0705;3.6883,-1.7772,.4992;-3.7262,.0306,.4289;-2.1293,-1.2575,2.014;-2.8007,.2678,-1.9729;-.5024,-.7019,-2.337;.1009,-1.8233,1.1532;/R:/0/N:3,2,4,1,5,7,8,6/E:(2,3)(4,5)(6,7)/CRV:1.3,2.3,3.3,4.3,5.3,6.4,7.4 -989.45175356 637.68822212 -1627.13997568 -2671.29099077 1044.15101509 -1904.93489764 915.48314408 2.08079735 43.999998107770 43.999998107770 87.999996215541 -63.912006457359 -3.229998247158 -67.142004704517 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2101.9467 -2101.5223 -278.8695 -278.7168 -278.1070 -277.8782 -277.7664 -181.0243 -180.6415 -130.4110 -130.4016 -130.3632 -130.0235 -130.0184 -129.9671 -88.3803 -54.5465 -54.3235 -53.7834 -22.6742 -19.5461 -18.7461 -18.4520 -18.1743 -15.2687 -13.9029 -13.7744 -11.7875 -11.5243 -11.3095 -11.2180 -11.1537 -10.6829 -10.4088 -10.2955 -10.1177 -9.4886 -9.1236 -7.8107 -7.0263 -6.7381 -6.1191 -5.3314 -5.1067 -1.6392 -0.5629 0.4258 0.8496 1.2656 1.3282 1.4997 1.7699 1.8738 1.9969 2.1823 2.8553 2.9720 3.7832 4.0446 4.3888 4.8601 5.1085 5.2866 5.5456 7.3159 8.1151 8.5784 8.9059 9.1393 9.2137 9.7185 9.9328 10.3862 10.5197 10.8309 11.2642 11.7465 12.0759 12.3072 12.9742 13.0735 13.1778 13.7467 14.1094 14.6707 15.1124 15.2930 15.7075 15.9783 16.3829 16.7606 16.9260 17.2840 17.7130 18.0507 18.3182 18.8577 18.9177 19.1146 19.3064 19.4020 19.8292 20.0791 20.1222 20.4363 21.2371 21.6248 21.9591 22.3876 22.5743 23.3341 23.6880 24.4112 25.0794 25.3759 26.0577 26.8090 27.1156 27.6344 27.7415 29.1337 29.6352 30.9829 32.5156 33.7351 34.0525 35.9911 36.8393 37.6244 37.7984 39.7011 40.6360 40.9795 41.1915 41.2874 43.6160 44.6195 45.5573 45.5674 45.8129 46.3949 46.4812 46.5731 47.1184 47.3841 48.0579 48.5178 48.6423 49.9221 50.0869 50.7564 51.8688 52.1089 52.3024 53.7411 54.7864 55.0917 56.0456 56.4956 56.9327 57.4687 58.4089 58.8045 58.8683 59.3536 59.4067 60.0419 60.3144 60.6189 60.9317 61.1825 61.5777 61.7878 62.7353 63.6649 64.9729 65.6285 66.9512 67.7031 68.8387 69.3236 70.9323 72.1218 74.7015 75.5396 76.3168 77.7046 79.2285 85.3381 86.7870 95.0092 1327.4388 0.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 C C C C C Rh P P H H H H H H H H H H H -0.106830 0.004522 -0.040329 -0.012896 -0.142876 -0.332527 0.082830 0.196505 0.018607 0.023476 0.048709 0.022384 0.019199 0.020279 0.009789 0.016817 0.023403 0.080655 0.068283 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 C C C C C Rh P P H H H H H H H H H H H 0.026971 -0.081275 -0.031143 -0.085862 0.031036 -1.138464 0.566467 0.715014 -0.039172 -0.038904 -0.020230 -0.039064 -0.040484 -0.044865 0.026680 0.029259 0.033232 0.070266 0.060538 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 C C C C C Rh P P H H H H H H H H H H H 6.1068 5.9955 6.0403 6.0129 6.1429 17.3325 14.9172 14.8035 0.9814 0.9765 0.9513 0.9776 0.9808 0.9797 0.9902 0.9832 0.9766 0.9193 0.9317 6.0000 6.0000 6.0000 6.0000 6.0000 17.0000 15.0000 15.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.1068 0.0045 -0.0403 -0.0129 -0.1429 -0.3325 0.0828 0.1965 0.0186 0.0235 0.0487 0.0224 0.0192 0.0203 0.0098 0.0168 0.0234 0.0807 0.0683 3.8879 3.8272 3.9343 3.8578 3.8978 3.8737 3.6368 3.9471 0.9600 0.9544 0.9786 0.9636 0.9642 0.9582 0.9837 0.9831 0.9843 0.9796 0.9700 3.8879 3.8272 3.9343 3.8578 3.8978 3.8737 3.6368 3.9471 0.9600 0.9544 0.9786 0.9636 0.9642 0.9582 0.9837 0.9831 0.9843 0.9796 0.9700 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 1.3030 0.5082 0.9600 0.8785 1.4622 0.9673 1.2810 0.1016 0.9866 1.5181 0.9695 0.8151 0.9050 0.6884 0.9682 0.9373 0.9439 0.9259 0.9245 0.9146 0.9215 0 1 0 4 0 5 0 17 1 2 1 16 2 3 2 5 2 14 3 4 3 15 4 5 4 18 5 6 5 7 6 11 6 12 6 13 7 8 7 9 7 10 -0.022602413 -989.474355972518 -31.29362 32.29759 1.00397 11.67034 -10.78616 0.88418 21.39717 -21.09390 0.30327 1.37175 3.48671 298.15 1.00 236.00 -989.47435597 0.13447772 0.00855114 0.00141627 0.00141627 -989.32849457 0.01138368 0.13447772 0.14586140 -989.32849457 0.00094421 -989.32755036 0.00000000 0.01500618 0.01437841 0.02008735 0.04947194 -989.32755036 -0.04947194 -989.37702230 0.09733368