Orca 6.0.1 RELEASE 1 2 3 4 11s6p2d1f 11s6p2d1f 14s9p3d1f 11s6p2d1f 5s3p2d1f 5s3p2d1f 5s5p3d1f 5s3p2d1f 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 C C F F C C F C F F F F F F F F S O O O 1 1 2 2 1 1 2 1 2 2 2 2 2 2 2 2 3 4 4 4 349.0991351999998 AuxInfo=1/0/N:2,1,6,5,8,10,11,3,4,9,12,13,14,7,15,16,18,19,20,17/E:(6,7)(8,9)(11,12,13)(14,15,16)(17,18,19)/CRV:17.1,18.1,19.1/rA:20nCCFFCCFCFFFFFFFFSO1O1O1/rB:s1;s1;s1;s1;s2;;s6s7;s6;s2;s2;s5;s5;s5;s8;s8;s6;s17;s17;s17;/rC:1.5913,.6801,-.394;.7158,-.4194,.299;1.6626,1.7816,.3768;1.1017,.9905,-1.6001;3.0775,.2349,-.635;-.6519,-.0019,.9086;-.6086,-2.1545,2.0337;-1.4238,-1.2555,1.4195;-.3627,.744,2.0313;1.5159,-.9026,1.3036;.5351,-1.4219,-.5883;3.7845,.1832,.4981;3.6682,1.1383,-1.4351;3.1536,-.9576,-1.2372;-2.3321,-.9017,2.332;-2.0388,-1.9109,.4331;-1.7706,1.0469,-.2497;-1.7244,.2983,-1.4905;-1.0761,2.3186,-.2518;-3.0408,1.0334,.4463; Method DFT(GTOs) Exchange B88 XAlpha 0.666667 XBeta 0.004200 Correlation LYP LDAOpt VWN-5 PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.200000 ScalDFX 0.720000 ScalDFC 0.810000 ScalLDAC 1.000000 Perturbative correction 0.000000 NL short-range parameter 4.800000 RI-approximation to the Coulomb term is turned on functions 982 RIJ-COSX (HFX calculated with COS-X)) on IntName PFPeS_P5_Int HFTyp RHF Charge -1 Mult 1 NEL 170 Dim 631 ENuc 2319.4771808754 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVKDIIS off CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 50 Auto Start num. interpolation iter. 10 iterations 24 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold (grad. norm) 2.000e-06 Micro threshold 0.100 Minimum threshold for Micro iter. 1.000e-02 NR start threshold (gradient norm) 1.000e-04 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Quad. conv. algorithm NR David. guess on Maximum white noise 0.010 Pseudo random numbers off Inactive MOs canonical Orbital update algorithm Taylor Preconditioner Diag Full preconditioner red. dimension 250 CNVSOSCF on SOSCFMaxIt 150 SOSCFStart 0.003300 SOSCFHessUp L-BFGS CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 1.000e-12 Eh TCut 1.000e-14 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-09 Eh 1-El. energy change 1.000e-06 Eh TolG 2.000e-06 TolX 2.000e-06 TolErr 1.000e-08 Method DFT(GTOs) Exchange B88 XAlpha 0.666667 XBeta 0.004200 Correlation LYP LDAOpt VWN-5 PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.200000 ScalDFX 0.720000 ScalDFC 0.810000 ScalLDAC 1.000000 Perturbative correction 0.000000 NL short-range parameter 4.800000 RI-approximation to the Coulomb term is turned on functions 982 RIJ-COSX (HFX calculated with COS-X)) on IntName PFPeS_P5_Int HFTyp RHF Charge -1 Mult 1 NEL 170 Dim 631 ENuc 2319.4858401868 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVKDIIS off CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 1 Auto Start num. interpolation iter. 10 iterations 24 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold (grad. norm) 2.000e-06 Micro threshold 0.100 Minimum threshold for Micro iter. 1.000e-02 NR start threshold (gradient norm) 1.000e-04 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Quad. conv. algorithm NR David. guess on Maximum white noise 0.010 Pseudo random numbers off Inactive MOs canonical Orbital update algorithm Taylor Preconditioner Diag Full preconditioner red. dimension 250 CNVSOSCF on SOSCFMaxIt 150 SOSCFStart 0.003300 SOSCFHessUp L-BFGS CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 1.000e-12 Eh TCut 1.000e-14 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-09 Eh 1-El. energy change 1.000e-06 Eh TolG 2.000e-06 TolX 2.000e-06 TolErr 1.000e-08 -1 1 B3LYP D3BJ TightOpt Freq def2-TZVPP def2/J RIJCOSX VeryTightSCF defgrid3 KeepDens CHELPG maxcore 3200 pal nprocs 8 chelpg grid 0.1 rmax 3.0 -1912.814967208564 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 C C F F C C F C F F F F F F F F S O O O -0.483023 -0.458934 0.224972 0.241896 -0.655163 -0.398937 0.165970 -0.674264 0.156643 0.178813 0.215341 0.209345 0.200399 0.210779 0.216157 0.218022 0.426113 -0.334693 -0.329498 -0.329938 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 C C F F C C F C F F F F F F F F S O O O 5.6634 5.7236 9.1666 9.1504 5.5426 5.8879 9.1955 5.5573 9.2187 9.2023 9.1805 9.1642 9.1701 9.1656 9.1606 9.1604 15.1715 8.5032 8.5060 8.5098 6.0000 6.0000 9.0000 9.0000 6.0000 6.0000 9.0000 6.0000 9.0000 9.0000 9.0000 9.0000 9.0000 9.0000 9.0000 9.0000 16.0000 8.0000 8.0000 8.0000 0.3366 0.2764 -0.1666 -0.1504 0.4574 0.1121 -0.1955 0.4427 -0.2187 -0.2023 -0.1805 -0.1642 -0.1701 -0.1656 -0.1606 -0.1604 0.8285 -0.5032 -0.5060 -0.5098 4.1731 4.1076 1.1508 1.1708 4.5605 3.7252 1.0924 4.5962 1.0618 1.0975 1.1335 1.1443 1.1372 1.1439 1.1494 1.1525 6.2151 1.9223 1.9480 1.9631 4.1731 4.1076 1.1508 1.1708 4.5605 3.7252 1.0924 4.5962 1.0618 1.0975 1.1335 1.1443 1.1372 1.1439 1.1494 1.1525 6.2151 1.9223 1.9480 1.9631 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 0.9275 1.0770 1.1060 0.9603 0.9200 1.0238 1.0754 1.1583 1.1395 1.1497 0.9674 0.9438 0.7494 1.0998 1.1673 1.1702 1.7855 1.7854 1.8153 0 1 0 2 0 3 0 4 1 5 1 9 1 10 4 11 4 12 4 13 5 7 5 8 5 16 6 7 7 14 7 15 16 17 16 18 16 19 -1.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 C C F F C C F C F F F F F F F F S O O O 0.336589 0.276384 -0.166613 -0.150433 0.457442 0.112116 -0.195462 0.442713 -0.218655 -0.202261 -0.180487 -0.164176 -0.170111 -0.165583 -0.160567 -0.160361 0.828544 -0.503245 -0.506030 -0.509806 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 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 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 -2418.8979 -670.5195 -670.4796 -670.4543 -669.8188 -669.7568 -669.7063 -669.6075 -669.4765 -669.4505 -669.4335 -668.8449 -515.7544 -515.7468 -515.7358 -281.6828 -280.7884 -279.8219 -279.5726 -277.1267 -215.9275 -160.5688 -160.4561 -160.4549 -33.9246 -32.8772 -32.4251 -32.0107 -31.5081 -31.3874 -30.7772 -30.5606 -30.4222 -30.3138 -30.1739 -26.5263 -22.8567 -22.8497 -19.4696 -18.7080 -17.1561 -15.9600 -15.1648 -14.3724 -14.3582 -14.2997 -13.6306 -13.4340 -13.3505 -13.1362 -12.7718 -12.5926 -12.4141 -11.7055 -10.9309 -10.8977 -10.7011 -10.3161 -10.1894 -10.0982 -9.9268 -9.8663 -9.7483 -9.6206 -9.3388 -9.2881 -9.1902 -9.1005 -8.9824 -8.8296 -8.6753 -8.6190 -8.4214 -8.3175 -8.2478 -8.1938 -8.0730 -7.5795 -6.4181 -5.4427 -5.3954 -4.5625 -4.5028 -4.2287 -3.1824 3.5935 3.8286 4.7999 5.3927 5.6166 6.0062 6.2161 6.8166 6.8662 6.9252 7.6768 0.00 0.00 0.00 0.00 0.00 0.00 41.62 58.43 63.59 70.98 88.23 98.25 140.61 162.47 178.49 195.79 216.65 235.71 246.31 256.31 270.71 289.46 298.50 308.11 319.86 326.44 346.82 376.49 394.28 474.87 509.27 524.46 528.70 543.08 546.00 574.09 593.26 618.90 622.47 666.89 701.77 743.93 816.98 904.98 995.69 1050.98 1067.56 1108.18 1129.99 1149.67 1166.45 1189.36 1197.59 1209.13 1225.18 1243.72 1276.86 1301.68 1304.91 1318.41 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -0.023437 -0.010381 -0.081289 -0.015257 -0.014893 -0.078544 -0.126293 0.056732 -0.175465 0.036450 -0.135731 -0.139990 0.019547 0.021070 0.097568 0.015087 -0.019500 -0.015799 0.019265 -0.122665 -0.207665 0.005868 -0.036827 -0.064941 0.069263 -0.085882 0.014355 0.018741 -0.057684 -0.123008 -0.062978 0.018353 -0.106106 -0.031068 0.473245 0.150967 -0.014250 -0.214734 -0.191593 0.143056 -0.183994 0.518220 0.089706 -0.080208 0.035823 -0.095688 0.071307 -0.072260 -0.008229 0.063707 0.082405 -0.120224 0.096089 0.058865 0.039099 0.037154 0.061221 0.041391 0.094776 0.174484 0.001455 -0.010245 -0.028326 -0.045332 -0.080343 -0.181453 -0.106257 -0.041145 0.021813 0.109096 0.028323 -0.066426 0.039768 0.058832 0.114539 0.032984 -0.024588 -0.059497 0.014485 0.032292 0.074747 0.015754 0.057608 0.114385 0.185290 0.031296 -0.133075 -0.038354 -0.313730 -0.297031 -0.157305 0.077683 -0.329590 -0.104301 -0.065259 0.198101 0.124733 0.175070 0.307856 0.136625 0.135381 -0.026836 0.156593 0.191884 0.204893 -0.153469 0.038070 0.233064 -0.040068 -0.064399 -0.039355 -0.139428 -0.137166 0.000759 -0.023652 -0.074197 -0.170304 0.011400 -0.004737 0.056037 0.012309 -0.023247 0.008605 0.037594 0.016985 0.098435 -0.003804 0.026074 -0.058466 -0.013014 -0.109898 -0.003887 0.016800 0.009467 -0.000157 0.000215 0.023884 -0.002512 0.003400 -0.255278 -0.471207 -0.031132 0.016098 -0.029883 -0.058865 0.068726 -0.020153 0.009737 0.168723 0.190739 0.103116 -0.092586 0.204370 0.011051 -0.084801 -0.001500 0.014111 0.085590 0.083131 0.027533 0.062456 -0.103743 0.300781 -0.014157 0.317734 -0.432257 0.316036 0.027803 0.007115 -0.039810 -0.049362 0.054335 -0.051591 -0.040453 -0.055087 -0.006186 -0.062966 0.005005 -0.097787 -0.049302 0.022773 0.060032 0.056721 -0.019585 0.023797 -0.050278 0.102421 -0.039738 0.198846 0.025855 0.274045 0.117444 -0.012434 -0.048449 -0.011536 0.009532 0.020383 -0.002863 0.032184 0.017855 0.010085 0.021585 0.045513 0.066972 0.037337 0.063180 -0.040708 -0.003211 -0.083079 -0.107126 -0.073171 0.105548 -0.124913 0.060954 0.071848 -0.050801 -0.015391 -0.199840 -0.182406 -0.116549 -0.138270 0.153912 0.108113 0.089836 0.138097 -0.074235 0.061085 0.115992 -0.022602 -0.059434 -0.056370 0.345089 0.113248 -0.146722 -0.263010 0.072940 0.245861 -0.153320 -0.407292 -0.301725 -0.056329 -0.120586 -0.126607 -0.002112 -0.099690 -0.011000 -0.198240 -0.005539 -0.284535 -0.042957 -0.339787 -0.192816 -0.002738 0.039429 -0.015370 0.031170 -0.024022 0.035712 -0.100559 0.038284 0.126887 -0.039999 0.033572 0.038099 0.118031 -0.076750 0.049390 0.022073 -0.051727 -0.011714 -0.029296 -0.160811 0.063506 -0.096365 0.013406 0.040251 -0.024898 0.172784 0.116775 0.161612 0.099008 -0.115216 -0.082699 0.095308 -0.029431 0.002463 0.017584 0.019904 0.069979 0.066881 0.064826 0.350165 0.281851 -0.054593 -0.068706 0.141683 0.398731 -0.047526 -0.193558 -0.156933 -0.039771 -0.061185 0.103589 0.029942 -0.156456 0.045315 -0.064714 -0.153834 0.244584 -0.138411 0.029538 0.171357 -0.021202 0.135646 -0.072286 0.034920 -0.093777 0.025624 -0.245191 -0.064036 0.074563 -0.125512 0.015514 0.031176 0.066786 -0.110021 0.030251 0.040968 -0.204715 0.014390 0.026435 -0.125301 0.014629 0.133510 0.323072 -0.159715 -0.282577 0.184859 -0.211590 0.094346 0.111227 -0.007115 -0.100335 0.163942 0.002625 -0.196204 0.061153 0.046534 0.165020 -0.030361 -0.063295 0.137559 -0.119516 -0.011176 0.271605 -0.090617 -0.118482 0.141578 0.134933 -0.105514 0.132710 -0.137822 0.056695 0.089673 -0.101740 0.018812 0.124618 -0.175084 0.115542 0.040752 -0.090376 0.105156 0.177199 -0.021840 -0.030476 0.039431 0.010697 -0.103913 -0.115404 0.059333 0.023882 -0.032216 0.081040 -0.056092 0.060336 0.085347 -0.158966 0.008096 -0.077053 0.099606 0.148282 -0.140238 0.044954 0.246810 0.058256 -0.068027 0.024642 0.054445 -0.060932 0.315736 -0.010566 -0.032780 -0.051954 0.159664 -0.116321 -0.003024 0.075973 -0.077697 -0.214226 0.025798 0.016271 -0.370035 0.158234 -0.067360 -0.364343 0.106065 0.026205 -0.090377 -0.188267 0.243988 0.079843 0.113677 -0.056374 0.027979 0.112110 -0.000646 0.129661 0.192487 -0.174279 0.121960 0.053865 -0.092007 0.080161 0.025325 -0.039925 0.038055 0.030027 0.129406 -0.340449 -0.073674 0.025738 -0.136539 0.061819 -0.030012 0.099374 -0.102224 0.204493 0.043796 0.035355 -0.049969 0.007884 0.179137 -0.059923 0.078847 -0.009193 -0.039733 0.161081 -0.026825 -0.045247 0.008088 0.020283 -0.036076 -0.220612 0.137353 -0.135143 -0.098927 0.212196 -0.147033 -0.005234 -0.164175 0.150598 0.134787 -0.388962 0.288667 -0.144439 -0.089238 -0.032635 -0.036008 -0.185030 0.092472 -0.086287 -0.061942 0.079671 0.041305 -0.075213 0.063144 -0.211932 -0.067609 0.102875 -0.180421 -0.111430 0.106856 -0.131490 -0.011153 0.061849 0.165117 0.128077 0.067718 0.095749 0.067140 -0.127022 0.136823 0.145180 -0.076292 0.270433 0.141317 0.032043 0.079405 -0.177123 -0.008549 -0.097950 -0.049796 0.071611 -0.127940 -0.049938 0.056171 -0.135909 -0.018271 0.063440 -0.216250 -0.014587 0.054026 0.056582 -0.000819 -0.114679 0.291641 0.298416 -0.268921 0.051762 0.008920 -0.016700 0.104131 -0.139019 0.077021 -0.205331 0.145267 -0.245196 0.112976 -0.138469 0.092606 0.075863 -0.108248 0.060791 -0.093293 0.053564 0.098980 0.141882 -0.035452 -0.042747 0.082435 -0.236586 0.025686 0.123922 -0.030333 -0.008145 -0.084135 0.135756 0.167029 0.127256 0.014770 -0.056478 0.020620 0.000573 0.058527 -0.235034 0.144745 0.193544 -0.084380 -0.217802 -0.038247 -0.421744 0.203814 -0.001830 0.270590 0.027914 -0.094291 -0.100290 0.105880 -0.032463 0.272595 0.006923 -0.060240 -0.039123 -0.265240 0.110502 0.106821 0.064622 -0.029579 -0.045002 0.048626 -0.024406 0.105618 -0.088307 0.067548 -0.062373 0.060939 -0.098921 -0.129022 0.112762 -0.171841 -0.044912 -0.095933 -0.169543 -0.092384 -0.035800 -0.152824 -0.057096 -0.321110 0.170667 0.093027 0.292950 -0.115525 0.020291 -0.054917 -0.073392 -0.065765 0.067451 -0.015765 0.131128 0.153404 -0.091395 -0.026582 0.030628 -0.050070 0.114288 -0.169442 0.098727 -0.033256 0.266168 -0.058383 -0.076203 -0.274088 0.122224 -0.152218 0.041987 0.032494 0.051721 -0.011956 -0.005804 0.280306 -0.056790 -0.050776 -0.016244 -0.038858 -0.006463 -0.045090 -0.049290 0.023432 -0.041540 0.080012 0.075339 0.189961 -0.209760 0.250382 -0.162433 0.145256 -0.110090 -0.131910 0.168994 -0.086267 0.054789 0.047195 0.112580 0.069414 -0.028334 0.019168 -0.296818 0.119351 0.020611 0.196513 -0.151871 -0.009896 0.068423 0.063845 0.091527 0.016802 -0.041695 -0.004721 0.035839 0.008034 0.007085 -0.021500 -0.056946 -0.022677 0.100640 -0.343478 0.192774 0.106527 -0.048871 -0.003252 0.126297 0.003395 -0.016764 0.370050 -0.074920 -0.101090 0.061704 -0.017822 -0.007223 -0.320941 0.056678 0.054937 0.035933 0.035146 0.007079 -0.117929 -0.183498 0.125950 -0.081902 0.154964 -0.070449 0.022911 0.017981 0.014747 -0.252133 0.246406 -0.234314 -0.101382 0.146970 -0.107174 -0.007994 0.008303 0.027978 0.058002 0.008063 0.058071 0.318957 0.102200 -0.118754 -0.332815 -0.054016 0.155337 -0.054814 -0.049843 -0.038577 0.038092 -0.041451 0.060350 -0.035387 -0.167720 0.051806 0.089062 -0.047625 0.047970 0.284439 -0.161247 0.096023 -0.048382 -0.103202 0.085428 0.278096 0.102861 -0.106141 -0.236580 0.001727 0.082397 -0.044968 -0.020046 0.008238 0.148568 -0.044308 -0.011027 0.095524 0.021671 0.039747 0.096889 0.030155 -0.005834 -0.151167 0.083991 -0.058112 -0.039573 -0.054353 0.031046 -0.072501 0.040994 -0.034823 -0.299486 0.283701 -0.325918 0.001173 -0.003438 0.006839 0.034761 0.026044 0.060850 0.230512 0.066938 -0.090948 -0.244403 -0.039415 0.110075 -0.030237 -0.041195 -0.043237 -0.016676 0.022585 -0.071113 0.094827 0.205335 -0.069572 -0.117487 -0.002585 -0.080885 -0.185808 -0.158416 0.104188 -0.022121 -0.087556 0.026191 0.059440 0.134450 -0.084264 -0.184179 0.003383 0.057152 -0.021440 -0.016084 -0.003414 0.142209 -0.035750 -0.025282 -0.056892 -0.004767 -0.028257 -0.217677 -0.240828 0.140258 0.150490 0.067568 -0.027887 0.157830 0.039074 -0.011339 -0.202506 0.262379 -0.272698 0.321103 -0.232825 0.274028 0.013363 0.044539 -0.098942 0.070365 -0.023491 0.084546 0.019270 -0.007564 -0.007013 -0.080714 0.182298 -0.016413 0.052041 0.066590 -0.091612 0.094968 -0.045760 0.158356 -0.183574 -0.255442 0.177083 0.012598 -0.078152 0.122480 -0.054680 -0.048013 0.194676 0.347488 -0.031882 -0.123697 -0.272930 -0.109218 0.254765 -0.158831 0.091271 0.036495 0.351725 -0.068905 -0.035426 0.024739 0.049474 -0.068128 -0.043916 -0.104660 0.086804 0.053845 0.067298 0.004899 -0.018404 0.047230 -0.144676 -0.151779 0.195857 -0.236786 -0.063226 0.072587 -0.205009 0.066327 -0.056396 0.001932 0.007124 0.028849 -0.014447 -0.037785 -0.059397 -0.047793 -0.074027 0.031290 -0.023123 0.092235 0.075132 -0.045204 0.019980 0.030075 -0.038196 -0.059968 0.012446 0.010535 -0.156424 -0.163970 0.140382 -0.118130 -0.090483 0.178852 0.204004 0.300248 -0.258107 -0.231329 -0.064409 0.096625 0.243813 -0.049264 -0.111661 0.002751 0.031597 -0.028828 0.086737 -0.031775 -0.066745 -0.020893 0.028427 -0.036777 -0.246027 -0.475591 0.227128 -0.002567 0.013515 0.033144 0.053651 0.087651 0.010391 0.184555 0.013439 0.059696 -0.123202 0.187590 -0.149651 0.093656 0.044202 0.089236 -0.041714 -0.016131 -0.004119 -0.082865 0.090529 -0.036852 0.192229 0.021301 -0.066204 0.247571 0.093163 -0.099617 -0.122961 -0.140835 0.127777 0.027850 -0.031799 0.042886 -0.099630 -0.109447 0.094845 -0.016078 -0.037980 0.064582 0.267334 -0.128500 0.052546 0.090948 0.291194 -0.061788 -0.091120 0.059207 0.005886 0.056699 -0.139398 0.013833 -0.583812 0.143979 0.137850 0.077364 -0.122601 0.111706 -0.049943 -0.081744 0.052965 0.020123 0.028718 -0.001893 0.011286 0.005916 -0.085574 -0.079326 0.138452 -0.169894 -0.017152 0.021501 -0.153752 0.099149 -0.135891 0.064134 0.030477 -0.007824 -0.014614 -0.075540 0.058803 -0.001008 0.010678 -0.016582 0.004551 0.104980 0.024872 -0.042692 -0.000697 0.028422 -0.029364 0.058551 0.001180 -0.056323 -0.177885 -0.435741 0.061259 0.179481 -0.155667 -0.066015 -0.033911 0.050111 -0.071295 -0.369966 0.018408 0.205470 -0.244337 0.040730 0.059342 -0.039567 0.055820 -0.010020 -0.006608 0.020715 -0.046860 -0.012927 0.029147 -0.030016 0.334579 0.322631 -0.139197 0.163680 -0.264627 0.005312 0.035960 0.051707 0.027256 0.138701 -0.017325 0.073750 -0.113828 0.138207 -0.094349 0.080859 0.015353 0.096523 0.068091 0.040978 0.030171 -0.096898 -0.044200 0.033817 0.306633 0.130588 -0.094166 -0.011750 0.006093 0.055240 0.035115 0.126895 0.013200 -0.020281 0.022000 -0.065215 0.131174 0.191128 -0.127919 -0.068201 0.017012 -0.065436 0.467555 -0.124333 -0.085048 -0.270520 -0.063197 0.142743 -0.350761 -0.165128 0.227744 0.067429 0.155078 -0.000289 0.165359 0.063798 0.017217 -0.211647 0.124434 0.024075 -0.104634 -0.106232 -0.052704 -0.114989 -0.106565 0.029928 -0.003413 -0.044459 -0.024706 -0.093087 0.022245 -0.071441 0.083004 -0.093546 0.033045 -0.009078 -0.087215 -0.034427 0.013432 0.009574 0.006275 0.074886 -0.047233 -0.002697 0.234494 0.078947 -0.088979 -0.085934 0.008822 0.057254 -0.031178 -0.001003 0.086165 0.034738 -0.024105 -0.048837 -0.050190 -0.129280 -0.093382 -0.041209 -0.099902 -0.074801 -0.036112 0.328203 -0.290225 0.430243 -0.058646 -0.254638 -0.081415 -0.155995 0.152411 0.071260 -0.021691 0.031082 -0.118258 0.084604 0.131735 -0.120824 -0.010692 0.111569 -0.049376 0.025561 -0.146201 -0.140681 -0.266798 0.070248 -0.020297 0.054532 0.073974 0.137359 -0.138801 0.200418 -0.114017 0.107729 0.087103 -0.083888 0.182807 -0.031364 -0.125447 0.032264 0.027003 -0.070899 0.114097 -0.029066 -0.314840 0.031528 0.029046 -0.475869 -0.010910 0.180180 0.118253 -0.059140 0.026398 0.007644 0.012422 -0.013722 -0.047343 -0.078364 -0.020679 -0.024188 -0.047532 -0.014007 0.258797 0.046138 -0.102669 0.027089 0.339156 -0.008490 -0.205060 0.198497 -0.080580 0.303326 -0.187966 -0.066769 0.166692 -0.070767 0.053828 0.278263 -0.086779 0.064667 -0.044458 -0.019617 -0.049908 -0.052067 -0.118263 0.035830 0.038327 -0.016460 -0.010229 0.014016 0.000985 -0.021578 0.063859 -0.033234 0.013285 0.041610 -0.024537 -0.009579 0.070138 -0.114778 0.030403 0.050122 0.113469 -0.004948 0.154478 -0.333950 0.330732 0.089674 -0.470930 -0.067866 -0.036615 0.053876 -0.034242 0.039527 0.038498 0.022993 -0.038492 -0.052695 -0.014915 -0.030866 -0.031159 0.000686 0.138984 0.069725 -0.020707 0.166743 0.313561 0.015428 -0.048805 0.304850 -0.165645 -0.209859 0.204141 0.056639 0.107402 -0.018600 -0.033985 -0.202899 0.096066 -0.113542 -0.083085 -0.047789 -0.040807 -0.084847 -0.087878 0.060919 -0.007597 0.001428 0.002131 -0.014649 0.005322 0.002209 -0.001587 0.002299 0.003356 -0.025124 -0.027550 -0.028440 0.036851 0.070865 0.125156 0.099387 0.054486 0.227230 -0.291358 0.167833 0.032784 0.300120 0.089498 0.030509 -0.030633 -0.058231 -0.057109 0.090380 0.052143 0.095720 0.069618 0.005251 -0.170822 -0.027996 -0.019344 -0.050200 0.220223 0.169079 0.021110 0.130012 -0.211245 0.148411 -0.024333 0.201911 0.154619 -0.266779 -0.092054 0.060374 -0.134050 -0.147160 -0.221105 0.256515 -0.006704 -0.182915 -0.106508 0.019265 -0.156590 -0.140706 -0.204687 0.111414 -0.014218 -0.007969 -0.008222 -0.107854 0.009700 -0.020516 0.044380 -0.045350 0.055891 -0.049296 -0.012688 -0.070253 0.044966 0.077090 0.220267 -0.037267 -0.021277 -0.026926 -0.001732 0.262669 0.076669 0.109625 -0.155936 0.209285 0.014279 0.009434 0.077851 -0.064427 -0.171093 -0.226639 -0.041893 0.118709 0.228649 -0.005320 -0.038010 -0.054113 -0.059186 -0.254424 -0.313684 0.091945 0.132132 -0.059262 -0.195162 -0.050648 0.024409 -0.088223 -0.037830 0.156377 -0.069962 -0.193565 -0.192061 0.113594 0.148049 -0.176292 0.154319 -0.086237 0.115286 -0.015657 0.156539 -0.184052 -0.008812 -0.030863 -0.029440 0.134616 -0.092750 0.006043 -0.132917 0.033296 0.100669 0.054591 0.182443 0.095631 0.057821 -0.078146 -0.122844 0.178902 -0.033294 0.123730 -0.060700 -0.164479 -0.109686 0.000403 0.152741 -0.094334 0.001624 -0.000319 -0.114250 0.169810 -0.096912 -0.084409 0.083939 0.048144 0.229467 0.087919 -0.066616 -0.055602 -0.025014 -0.084523 -0.118746 0.082708 -0.068335 0.327452 -0.125395 0.219285 -0.038597 -0.050559 -0.004829 -0.133869 0.033216 0.199088 0.097135 -0.064036 -0.159535 0.144793 0.060171 -0.149853 -0.126803 -0.211249 0.155928 -0.020428 0.077530 -0.037017 -0.105569 -0.117635 -0.212572 -0.027492 -0.210333 0.123053 0.286019 0.128534 0.199808 -0.042461 -0.028721 -0.013003 -0.007574 -0.010950 -0.009852 0.022303 0.001406 -0.017407 -0.020449 -0.005784 0.017861 0.001175 -0.013785 -0.023728 -0.005175 0.008836 -0.108180 0.080239 0.234876 -0.090723 0.022777 0.125080 -0.050969 0.081332 0.015101 0.012856 -0.000640 -0.004199 -0.011685 0.045283 -0.000306 0.022157 -0.018396 0.017113 0.048680 -0.021656 0.013739 -0.007541 0.049494 -0.006627 -0.027918 -0.027069 -0.118427 0.045617 -0.248803 -0.117154 0.167917 0.119140 -0.190695 -0.179262 0.037454 0.467730 0.279580 -0.223792 -0.111438 -0.268797 -0.186357 -0.069880 0.313116 0.324352 -0.070695 -0.178220 0.066813 -0.064317 -0.086745 0.063707 -0.057614 -0.054248 -0.238592 0.045482 0.163642 0.142384 -0.045261 -0.253327 0.109813 -0.033064 -0.044010 0.042632 -0.014151 -0.000873 -0.120097 -0.059388 0.039993 0.042045 0.005675 -0.001949 0.003190 0.080027 0.047343 0.094161 -0.005768 0.042313 -0.113048 0.167915 0.453781 0.074996 -0.051882 -0.266483 0.331846 -0.081762 -0.085170 -0.433249 -0.050890 0.078700 0.079017 0.114758 -0.048465 0.002101 0.027842 -0.008527 -0.059134 -0.039229 -0.077081 -0.029654 -0.064156 0.035825 0.105663 0.072095 0.060273 0.009015 0.017325 -0.037648 0.025626 0.015565 -0.006479 -0.082774 -0.014721 0.022291 -0.061591 -0.014874 0.023016 0.089299 0.011629 -0.055075 0.083934 0.110663 -0.006762 -0.015653 0.206181 -0.112288 0.312411 0.203769 -0.127899 -0.046908 -0.066320 0.058530 0.002110 -0.070583 0.049843 -0.025420 -0.009040 -0.085078 -0.057013 0.068363 0.091120 0.112201 -0.071272 -0.131170 0.033360 -0.019731 0.049409 -0.146343 0.070358 -0.132458 -0.358992 -0.312237 0.233080 0.072841 0.034852 0.134823 0.126329 -0.139085 0.063594 0.198963 0.207455 0.068387 -0.204004 -0.129968 -0.305302 -0.189029 0.003917 0.037345 0.025026 -0.068275 -0.031354 -0.125655 0.060743 0.061565 0.042788 -0.018405 -0.064359 0.013754 0.031582 0.068039 0.087265 0.055910 0.019098 0.092159 0.190290 -0.229603 -0.115515 0.099239 0.033214 0.172769 -0.034815 0.048949 0.162491 -0.156020 0.111299 -0.132618 0.021439 -0.190948 -0.088820 0.035423 -0.101664 0.133207 -0.044996 -0.083164 -0.148249 0.020087 0.174730 0.004906 -0.253068 0.069348 -0.184327 0.052547 0.139748 0.272407 0.117952 -0.050659 -0.157516 -0.186143 -0.209065 -0.110214 -0.224411 0.144949 0.308285 0.232864 0.146897 -0.023819 -0.109308 0.134815 -0.016750 -0.113650 0.298913 -0.003893 0.009100 0.039993 0.202188 -0.060506 -0.096563 -0.165793 -0.069503 -0.108658 0.011101 -0.027603 0.166155 0.009118 -0.064094 0.058697 0.181326 0.056695 -0.053912 -0.134794 0.099426 0.082077 0.135385 -0.190423 -0.124473 -0.338135 0.207755 0.071249 0.341071 0.074917 0.138402 -0.074955 -0.003270 -0.099165 0.178996 0.048363 -0.098038 -0.119401 0.208378 -0.119419 -0.088054 -0.186335 -0.049507 -0.095873 -0.014326 -0.034425 -0.117927 0.007567 -0.099266 -0.107328 -0.065163 -0.011866 0.171577 0.113850 0.085438 0.087436 0.025713 -0.115721 -0.165772 0.085952 -0.018998 -0.005987 0.032912 -0.270002 -0.179079 -0.133320 0.149422 -0.108296 0.096205 0.102328 0.209686 0.083370 0.110304 0.071340 -0.141497 0.144604 0.069954 -0.020667 -0.003903 -0.134797 0.047903 0.146412 0.181979 0.022028 -0.022207 0.101931 0.014391 0.034538 -0.060350 0.179736 -0.137583 0.375123 -0.141900 -0.167045 -0.217554 -0.070952 0.376309 -0.004002 0.182542 -0.093135 0.029088 -0.116121 -0.143363 -0.132485 -0.026340 -0.068854 -0.014315 0.047606 0.036804 -0.087216 -0.047369 -0.079631 0.023977 -0.003008 0.103923 0.044227 -0.141519 0.070001 -0.139426 -0.030084 0.120075 0.131946 0.056668 -0.133890 0.074631 -0.134877 0.060239 -0.342883 -0.037822 0.023161 0.116952 -0.099767 -0.112715 -0.149909 0.114986 -0.118512 -0.068742 0.014604 0.018861 0.118948 -0.032769 -0.245451 -0.300131 0.058731 -0.176904 0.062883 0.036088 0.257678 0.246476 0.152206 -0.035759 0.115443 -0.057265 -0.160874 -0.009848 0.026402 0.183776 -0.018241 -0.184932 0.079200 0.019717 0.131215 0.136433 0.122280 -0.099624 0.161063 -0.077067 0.078308 -0.119593 0.106174 0.165064 0.050796 0.020675 -0.020235 -0.160636 0.085507 -0.093158 0.116513 -0.074568 0.005907 0.049969 0.031479 0.046218 0.010984 0.119198 -0.071644 -0.010275 -0.206912 -0.036994 -0.013615 0.047197 0.024466 -0.162760 0.055210 0.058647 0.026031 -0.034465 -0.073318 -0.080021 0.051696 -0.024934 -0.056538 -0.150916 -0.034309 -0.063012 -0.009614 0.015814 0.094971 0.122038 0.081467 0.017728 0.020409 -0.036160 -0.105471 0.053180 0.037146 0.044133 -0.042034 -0.046833 0.073851 0.056897 0.033609 0.020247 -0.055921 0.322491 -0.274884 0.322126 -0.243382 0.301836 -0.009390 -0.327338 0.060287 -0.220441 -0.015650 0.193696 -0.346850 0.286554 -0.172084 -0.017302 0.127704 0.268409 -0.103048 -0.132877 -0.209966 -0.230736 0.024506 0.028142 0.317645 0.204563 -0.038756 -0.041198 0.024618 0.177779 -0.206971 -0.097180 -0.045542 -0.054382 0.067286 0.094491 0.013547 -0.029845 -0.154124 -0.107742 -0.129559 -0.001040 -0.258705 0.076618 0.177581 0.286553 -0.042918 0.008058 0.181738 -0.033109 0.176527 -0.114340 -0.130802 -0.108401 -0.032339 -0.068905 -0.075647 -0.000626 0.091309 0.055688 0.186957 0.038256 -0.060556 0.061537 -0.009443 0.051067 -0.004711 -0.025815 -0.037499 -0.025438 -0.013586 0.036759 -0.033317 0.124946 0.198634 -0.111182 0.294691 -0.017980 -0.154704 -0.000163 0.195676 0.218081 -0.123208 -0.029667 -0.195841 0.056655 -0.056030 0.005271 0.267628 0.180090 -0.201389 -0.301047 0.077991 -0.119073 0.159953 0.243240 -0.075606 -0.074271 -0.063073 0.020139 0.017452 -0.031682 0.169324 -0.116928 -0.130072 -0.101715 0.046071 0.054625 0.081994 -0.110211 -0.044258 0.086817 0.004095 -0.134367 -0.113264 0.043021 -0.223307 -0.072400 0.105388 0.024934 0.321084 -0.030888 -0.027230 0.026734 0.035525 0.027090 0.000168 0.008603 -0.056676 -0.005225 -0.055438 0.032817 0.004617 -0.162212 -0.139158 0.105736 -0.082229 -0.014637 0.047374 0.036810 -0.123346 -0.155784 0.125596 0.007526 0.146407 -0.326218 0.103835 0.048998 0.012165 0.078580 -0.072019 -0.214796 0.062607 -0.068155 0.121247 0.157024 -0.061533 -0.019003 -0.055860 -0.033952 0.020645 0.008793 -0.041481 0.033220 0.048277 0.028766 -0.081273 -0.042259 -0.408753 0.048960 -0.268422 0.155449 0.125426 0.377149 0.202260 0.121713 -0.164291 -0.145642 0.075360 0.057319 0.253122 0.022575 -0.031605 0.032872 -0.013639 0.034041 0.007179 -0.028737 -0.020534 -0.014704 0.001628 0.020304 -0.029346 0.320811 0.048777 -0.116463 0.428469 0.135179 -0.227634 -0.046819 -0.006315 0.004476 -0.031844 -0.019101 0.064228 -0.069106 0.038974 0.004173 0.279546 0.187001 -0.190855 0.187118 -0.116527 0.077307 -0.062037 -0.077491 0.021160 -0.030186 0.001594 0.053310 -0.090513 -0.003086 0.005447 -0.066453 -0.035825 0.028021 -0.065688 0.010844 -0.210417 -0.121599 -0.226952 0.197758 0.047818 0.166459 0.069819 -0.230316 0.127028 0.236474 -0.074443 -0.084623 -0.218580 -0.031189 -0.000849 -0.003578 0.023423 -0.014894 -0.015305 0.028308 -0.021339 0.015105 -0.042207 0.009823 0.024408 -0.008939 -0.023456 0.019386 -0.112914 0.017516 -0.025603 0.005493 0.025488 0.013956 -0.009920 0.008348 -0.029515 0.000240 -0.007481 0.009464 -0.529388 0.644259 -0.297917 0.104094 -0.196714 0.123607 -0.079481 0.073202 -0.044675 0.058860 -0.057882 0.037010 0.203874 -0.089105 0.145248 0.004020 -0.057761 -0.075144 -0.001552 -0.001350 0.003168 0.007967 0.010127 -0.010006 -0.000480 -0.003895 -0.001630 0.015629 0.014624 -0.024331 -0.003223 0.009533 -0.008103 0.044143 -0.052444 0.028641 -0.022620 0.055382 0.024454 -0.059863 -0.092573 0.009166 0.085538 0.015790 -0.043182 0.530280 0.072275 -0.167298 -0.008805 0.146305 -0.134284 -0.065168 0.001204 0.030083 -0.076564 -0.008044 0.008568 0.213700 0.003973 -0.059944 -0.505874 -0.215888 0.256131 -0.071629 0.105197 -0.065556 -0.042129 -0.196301 0.135603 0.053332 0.030401 -0.014034 0.054362 -0.039084 0.063371 -0.012562 -0.032654 -0.008649 -0.077025 0.010223 -0.087717 -0.123001 -0.113128 0.118694 -0.019366 0.077951 0.039963 0.125348 -0.004999 -0.130807 0.043790 0.069437 0.059609 0.023523 0.004418 -0.003616 -0.008415 -0.047343 -0.064362 0.031195 0.088790 -0.000656 -0.010367 -0.022527 0.033526 -0.128265 0.008598 0.001800 -0.002756 -0.007878 -0.072978 0.013344 -0.001783 -0.009203 0.023325 -0.008762 0.026581 -0.060497 0.002440 0.024236 0.043939 0.230041 0.145207 0.027683 -0.041156 0.028234 -0.105080 0.036804 -0.033702 -0.019602 -0.065798 -0.078036 0.024126 -0.017381 0.030307 0.008290 -0.003949 -0.004153 0.018338 -0.002577 0.016396 0.026355 0.022690 -0.024872 0.006834 -0.018459 -0.010734 0.025387 -0.004968 -0.018112 0.004469 -0.006387 0.008260 0.110117 -0.112276 0.115275 0.003076 -0.258179 -0.473396 0.240235 0.451499 -0.005675 -0.462561 0.005336 0.241560 -0.180843 0.151436 0.027605 -0.268598 0.343161 -0.532235 0.017236 -0.073237 -0.050172 0.038021 -0.047766 0.096034 -0.102160 -0.088941 0.156616 0.109363 0.010564 -0.036537 -0.089012 0.121599 -0.078391 0.337432 -0.298099 0.171308 -0.017065 0.007588 0.026776 0.150107 -0.134483 0.224936 0.010469 -0.042549 0.028480 0.005607 0.002569 -0.010427 0.064223 0.069727 -0.072342 0.015043 -0.019054 -0.021611 -0.088105 0.037791 0.049353 -0.046987 -0.003236 -0.050005 -0.022480 -0.001690 0.009096 -0.008107 -0.004222 -0.001473 0.002848 0.020482 0.001810 0.058294 -0.005307 -0.027841 -0.139823 0.133961 0.085355 0.290913 -0.069480 0.067932 0.014951 -0.072997 -0.046517 0.029458 -0.008560 0.006317 -0.144628 0.095198 -0.022306 -0.253119 -0.294303 -0.636331 -0.037484 0.053444 -0.037088 -0.043598 -0.270952 0.100143 0.079274 0.183468 0.277162 -0.029823 0.020400 -0.038573 -0.045652 0.031463 0.026093 0.043408 -0.008813 0.046065 0.021070 0.005845 -0.010228 0.022089 -0.059325 -0.026368 0.011997 0.012474 -0.021142 0.061572 0.088767 0.049915 0.024070 -0.012917 0.043335 0.007329 -0.053753 -0.075721 0.036063 0.090668 -0.007308 -0.076611 0.001138 0.032463 0.105512 -0.090015 0.038685 -0.291377 -0.320920 -0.508141 0.006823 0.061587 0.020803 -0.041756 0.009196 -0.028597 0.152320 0.025800 0.177850 0.098648 -0.243741 -0.186879 0.082393 -0.100337 0.055915 -0.293222 0.337914 -0.043751 0.001208 0.091269 0.133861 0.058391 -0.016621 0.085491 0.043870 0.210033 0.190590 -0.067025 0.002956 -0.083522 -0.012545 -0.004550 -0.007943 -0.008335 -0.010199 -0.014958 0.063999 -0.045720 -0.036396 0.023205 -0.019632 0.007602 0.018241 0.023568 0.015390 0.002858 -0.015271 -0.027899 -0.015657 -0.030799 -0.002927 -0.030884 0.005935 0.008688 -0.067858 0.468522 -0.021002 0.164544 0.346490 -0.069960 -0.003769 -0.193908 -0.095097 0.047387 -0.063393 0.105763 -0.217423 -0.113182 0.088186 -0.037516 -0.184749 0.159860 0.097818 -0.101322 0.074187 -0.439742 0.255885 -0.276481 0.011718 0.011122 -0.019353 0.005299 -0.056302 0.063675 -0.040183 -0.125112 -0.058926 0.038658 0.005474 0.021642 0.045176 0.053521 -0.046293 0.029040 -0.019235 -0.021025 0.078366 -0.034313 -0.025152 0.076029 0.026390 0.087510 -0.011644 0.012229 -0.027851 0.001409 0.026138 0.053131 -0.024395 -0.039382 0.002765 0.037447 -0.001297 -0.013676 0.166455 -0.137177 0.091831 -0.224822 0.227379 0.250441 -0.034352 0.059503 0.038903 -0.068283 0.045304 -0.108718 0.145733 -0.649574 0.109433 0.142225 -0.106119 -0.244445 0.011388 -0.006815 0.019070 -0.039533 -0.102302 -0.227846 0.016591 0.052752 0.074397 0.028313 -0.011043 -0.009623 0.002127 -0.091460 -0.082065 -0.072754 0.048387 -0.086245 0.043745 0.107909 -0.070469 -0.039702 0.220404 0.084463 -0.051176 0.013518 0.065486 0.047049 0.050425 0.068295 0.032496 -0.000483 0.025100 0.006321 -0.022990 -0.048636 0.006018 0.010063 -0.007194 -0.081142 0.009778 0.028713 0.159276 0.265485 0.453083 -0.355115 0.058160 0.035895 -0.012745 -0.152281 -0.104924 -0.037301 0.003530 -0.103622 0.129151 0.246945 -0.537407 0.136786 -0.031217 -0.086188 0.011816 -0.024286 0.025857 0.090586 0.032223 -0.206641 -0.004425 0.015396 0.027062 0.056569 -0.009844 0.019588 0.015672 -0.047531 -0.026147 0.026187 -0.019173 0.105978 -0.090191 -0.117095 0.131471 -0.000543 -0.016396 0.036476 -0.066411 0.009487 0.071715 0.001513 0.002495 0.023445 0.006894 -0.022203 0.010165 0.003088 -0.001397 -0.013043 0.015408 0.034122 -0.007011 -0.034367 0.005023 0.010197 -0.107183 -0.160778 -0.271297 -0.110395 0.089273 0.052025 0.017608 0.053097 0.043012 0.030062 -0.010091 0.077538 0.187818 0.409828 0.219477 0.025612 -0.026703 0.020348 0.010703 0.008843 0.042142 -0.021744 -0.307108 -0.610215 0.016877 0.037549 0.018277 0.020424 -0.023545 0.021247 0.017135 -0.012322 -0.020878 -0.045238 -0.024299 -0.070216 -0.042281 -0.066689 0.023626 -0.004998 -0.128388 -0.065255 -0.096040 0.049081 0.132384 0.095014 0.115721 0.169961 -0.008077 0.036913 0.038782 0.001831 -0.033669 -0.066339 -0.020668 -0.043490 0.002949 0.031582 0.001041 -0.013184 -0.186226 -0.228654 -0.424824 -0.052313 0.066488 -0.151919 -0.000696 0.160720 0.112874 0.095837 -0.046031 0.174095 -0.147744 -0.170142 -0.648587 0.027362 -0.074551 -0.041036 0.018773 -0.008984 0.010125 -0.134278 -0.013484 -0.055643 0.006627 0.027142 0.031558 0.034671 -0.039458 0.063160 0.011149 0.037031 0.033949 0.132344 -0.003525 0.203399 -0.015741 -0.024113 0.071910 -0.018172 0.139546 0.106807 0.019742 -0.004666 -0.006000 0.030789 0.023637 0.032643 -0.004696 0.044054 0.029935 -0.000977 -0.031366 -0.047317 -0.024859 -0.051179 0.004775 0.031074 -0.000448 -0.015915 0.074324 -0.080249 0.382684 0.291698 -0.290466 -0.332660 0.002076 0.022592 -0.022576 -0.051087 0.041622 -0.135051 -0.267536 -0.223337 -0.083216 -0.164039 0.096088 0.268707 -0.014065 0.034315 0.012943 0.038191 -0.277791 -0.364300 -0.001191 -0.004309 -0.041939 -0.042446 0.041043 -0.015343 -0.009596 0.108037 0.101256 0.044484 0.012256 0.053834 0.062442 0.064746 -0.044633 0.019069 0.049204 0.022962 -0.047175 0.042576 0.065466 0.050079 0.075976 0.105037 -0.021082 0.043428 0.018003 0.000481 -0.018119 -0.041340 -0.026044 -0.057780 0.003271 0.073401 -0.008283 -0.022392 -0.051206 -0.214436 0.242788 0.002958 0.186400 -0.062086 0.009377 0.029575 -0.003844 -0.028340 0.037158 -0.091219 0.046261 0.143995 -0.030970 0.285176 0.199725 0.000937 0.008484 0.068892 -0.046295 -0.580932 -0.397624 0.277829 -0.024136 -0.035335 -0.038064 0.002838 -0.012137 0.011342 0.000363 -0.047166 -0.023231 -0.009474 -0.009878 0.000696 -0.002646 -0.021390 0.009609 -0.001390 -0.035588 -0.009187 0.155833 -0.010592 -0.133297 0.099497 0.089673 0.063353 0.049872 0.039624 -0.075035 0.005056 0.041545 0.079310 -0.048604 -0.125896 0.012767 -0.082710 0.003280 0.045495 0.391187 0.346720 -0.298127 -0.337092 -0.353652 0.170624 -0.030608 -0.064941 -0.007619 0.001192 -0.044306 0.090463 -0.402531 -0.036249 0.081051 0.182797 0.183683 -0.061382 -0.014086 0.039113 -0.018709 -0.078935 -0.244789 0.034491 -0.017623 -0.017417 -0.010209 0.006731 0.034869 -0.032512 0.035425 0.063913 0.019610 0.068671 0.001207 0.044592 0.034702 0.037800 -0.031470 0.039247 -0.033183 -0.027132 0.015942 0.013169 -0.014112 0.029026 0.041114 0.029894 0.030544 0.054388 0.007306 0.001557 -0.020007 -0.031489 -0.041747 -0.095618 0.004867 -0.037633 0.000221 0.016225 0.048649 -0.052195 -0.111635 -0.062672 -0.098501 -0.068880 -0.006346 0.041379 0.026394 0.006798 -0.002494 0.030890 -0.090245 -0.028267 -0.024694 0.005997 0.020324 -0.016144 0.004462 0.007824 0.009942 -0.049156 -0.115398 -0.162667 0.012561 0.020567 0.034827 0.007444 0.002384 0.010152 0.014495 0.043420 0.033341 0.022187 0.000501 0.021874 0.010252 0.009748 -0.005219 0.004021 0.009605 0.005040 -0.014133 0.014255 0.026192 0.032684 0.038726 0.054116 -0.061417 -0.401026 -0.309103 -0.010328 0.321289 0.518565 0.228317 0.440745 0.019209 -0.096364 0.026534 0.075975 0.002812 0.054743 0.020211 -0.038119 -0.072365 0.062256 -0.003565 -0.013735 -0.009053 -0.005804 0.001138 -0.007455 0.097217 -0.047535 0.004667 0.146374 0.104256 -0.035573 0.013328 0.013658 -0.010462 -0.254154 -0.099616 0.092494 -0.010500 -0.012643 -0.015205 -0.004393 0.011916 -0.016252 0.004989 0.007865 -0.002996 -0.022529 0.005065 -0.019995 -0.014476 -0.003576 0.007133 -0.009254 0.019673 0.008111 0.067216 -0.011255 -0.050345 0.037821 0.026284 0.019135 -0.412737 -0.132432 0.250832 0.035288 -0.086566 -0.176823 0.207278 0.330176 -0.015385 0.556207 0.014489 -0.302934 0.366852 -0.436249 0.094660 -0.087704 0.322506 0.032235 -0.021873 0.094993 0.042891 -0.062992 0.057457 -0.101710 -0.561813 0.253058 0.073112 -0.018217 -0.167581 -0.041802 0.012880 -0.030248 0.011913 0.037162 0.191586 0.001256 0.009244 0.017418 0.019429 0.028588 -0.025164 0.015227 -0.001092 -0.070715 -0.046718 0.093828 -0.021381 0.073785 0.083437 0.031978 -0.054840 0.049913 -0.110650 -0.052635 -0.012421 -0.015323 0.011072 -0.019961 -0.032423 -0.026053 -0.034978 -0.021577 0.047698 0.002427 -0.021562 -0.044370 0.029019 0.061513 -0.009722 0.047171 0.004239 -0.033387 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 41.62 58.43 63.59 70.98 88.23 98.25 140.61 162.47 178.49 195.79 216.65 235.71 246.31 256.31 270.71 289.46 298.50 308.11 319.86 326.44 346.82 376.49 394.28 474.87 509.27 524.46 528.70 543.08 546.00 574.09 593.26 618.90 622.47 666.89 701.77 743.93 816.98 904.98 995.69 1050.98 1067.56 1108.18 1129.99 1149.67 1166.45 1189.36 1197.59 1209.13 1225.18 1243.72 1276.86 1301.68 1304.91 1318.41 0.000299 0.000201 0.000118 0.000109 0.000237 0.000476 0.001404 0.000294 0.000155 0.000180 0.000300 0.000141 0.000051 0.000074 0.000212 0.000098 0.000513 0.000308 0.000003 0.000071 0.000057 0.000015 0.000245 0.000159 0.002676 0.002413 0.000573 0.000745 0.000778 0.001117 0.000299 0.004180 0.013740 0.005562 0.005405 0.001027 0.005453 0.001712 0.003496 0.003088 0.000695 0.002471 0.003675 0.013565 0.007260 0.007941 0.003967 0.023311 0.006565 0.003649 0.002294 0.020701 0.017818 0.004715 0.000980 -0.007800 -0.015389 0.005727 0.009393 0.008943 0.006522 0.004112 0.007643 0.000737 0.008544 0.005925 -0.010250 -0.009710 -0.006156 -0.021232 0.001823 0.004637 0.035650 -0.004719 -0.010540 0.002216 0.016682 -0.003352 0.004473 0.011574 0.000853 0.004839 -0.002690 0.012224 -0.006579 -0.007753 -0.014016 0.005053 0.009434 0.005190 -0.006630 0.000819 -0.002556 0.004216 -0.002595 -0.007036 0.003468 0.010710 -0.009254 -0.001989 -0.003765 0.008943 -0.021902 -0.003824 0.004291 0.015176 0.002280 -0.008499 0.001470 -0.000318 -0.000552 -0.007243 -0.003846 0.001900 -0.005285 0.005051 -0.001931 0.002794 -0.001968 0.001890 0.002195 0.008375 0.013046 -0.003309 -0.011640 -0.003512 0.039103 -0.014790 -0.030472 -0.034470 -0.032774 0.012266 -0.014980 -0.018397 0.003109 0.016934 0.016101 0.014090 0.024911 -0.001881 -0.012393 -0.018127 0.015592 -0.023361 0.013298 -0.008586 -0.006983 -0.047886 0.039735 -0.017563 0.063055 -0.070573 0.069159 0.074221 -0.006449 -0.003394 0.061341 0.027185 -0.030050 -0.029219 0.002205 0.012960 0.066484 0.013182 -0.029313 -0.036604 0.016870 -0.009332 0.055285 -0.020846 0.002286 0.017192 -0.027621 0.045055 -0.023430 -0.011558 -0.003529 -0.009069 -0.048802 -0.002602 -0.034674 0.011181 -0.048453 -0.076055 0.082969 -0.029945 0.015107 -0.083839 0.001670 0.015907 0.066114 -0.057597 -0.001368 0.021051 -0.059343 -0.059254 -0.029233 -0.137643 -0.003558 -0.079675 -0.014278 -0.037623 -0.015310 0.044716 -0.043108 -0.018726 0.009215 -0.027953 -0.106425 -0.092700 -0.105680 -0.038338 0.071969 -0.058775 0.026585 0.023536 349.0991351999998 AuxInfo=1/0/N:2,1,6,5,8,10,11,3,4,9,12,13,14,7,15,16,18,19,20,17/E:(6,7)(8,9)(11,12,13)(14,15,16)(17,18,19)/CRV:17.1,18.1,19.1/rA:20nCCFFCCFCFFFFFFFFSO1O1O1/rB:s1;s1;s1;s1;s2;;s6s7;s6;s2;s2;s5;s5;s5;s8;s8;s6;s17;s17;s17;/rC:1.5914,.6801,-.394;.7158,-.4193,.2991;1.6629,1.7816,.3768;1.1016,.9907,-1.6;3.0774,.2348,-.6352;-.652,-.0018,.9087;-.6086,-2.1542,2.034;-1.4238,-1.2553,1.4196;-.3628,.7442,2.0313;1.5159,-.9025,1.3037;.5351,-1.4219,-.5881;3.7846,.1829,.4978;3.6682,1.1382,-1.4353;3.1534,-.9577,-1.2375;-2.3322,-.9016,2.332;-2.0388,-1.9109,.4332;-1.7706,1.0468,-.2497;-1.7234,.2987,-1.4908;-1.0768,2.3189,-.251;-3.0411,1.0324,.4457; -1912.77383004047647 2319.47718087540170 -4232.25100075882256 -7298.83699799246187 3066.58599723363932 -3819.82634517523638 1907.05251513475969 2.00300008251493 84.999989296226 84.999989296226 169.999978592452 -148.750491847376 -7.579467208255 -156.329959055631 -0.041137168 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 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 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 -2418.8978 -670.5195 -670.4795 -670.4543 -669.8187 -669.7571 -669.7064 -669.6072 -669.4765 -669.4506 -669.4331 -668.8450 -515.7545 -515.7467 -515.7358 -281.6829 -280.7882 -279.8219 -279.5723 -277.1266 -215.9274 -160.5687 -160.4560 -160.4548 -33.9247 -32.8772 -32.4252 -32.0106 -31.5081 -31.3874 -30.7773 -30.5606 -30.4220 -30.3139 -30.1741 -26.5264 -22.8567 -22.8498 -19.4695 -18.7080 -17.1561 -15.9600 -15.1649 -14.3724 -14.3582 -14.2997 -13.6307 -13.4339 -13.3504 -13.1362 -12.7718 -12.5926 -12.4142 -11.7057 -10.9309 -10.8977 -10.7010 -10.3161 -10.1895 -10.0983 -9.9267 -9.8663 -9.7482 -9.6207 -9.3388 -9.2881 -9.1901 -9.1005 -8.9824 -8.8296 -8.6754 -8.6189 -8.4213 -8.3174 -8.2478 -8.1937 -8.0730 -7.5794 -6.4180 -5.4427 -5.3954 -4.5625 -4.5027 -4.2288 -3.1823 3.5933 3.8289 4.8002 5.3928 5.6171 6.0062 6.2161 6.8167 6.8661 6.9256 7.6768 -1.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 C C F F C C F C F F F F F F F F S O O O 0.336600 0.276378 -0.166635 -0.150408 0.457434 0.112095 -0.195448 0.442749 -0.218633 -0.202258 -0.180485 -0.164179 -0.170109 -0.165581 -0.160568 -0.160375 0.828527 -0.503247 -0.506041 -0.509817 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 C C F F C C F C F F F F F F F F S O O O -0.483015 -0.458922 0.224934 0.241928 -0.655162 -0.398979 0.166002 -0.674272 0.156681 0.178822 0.215333 0.209340 0.200402 0.210780 0.216148 0.218012 0.426087 -0.334677 -0.329509 -0.329935 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 C C F F C C F C F F F F F F F F S O O O 5.6634 5.7236 9.1666 9.1504 5.5426 5.8879 9.1954 5.5573 9.2186 9.2023 9.1805 9.1642 9.1701 9.1656 9.1606 9.1604 15.1715 8.5032 8.5060 8.5098 6.0000 6.0000 9.0000 9.0000 6.0000 6.0000 9.0000 6.0000 9.0000 9.0000 9.0000 9.0000 9.0000 9.0000 9.0000 9.0000 16.0000 8.0000 8.0000 8.0000 0.3366 0.2764 -0.1666 -0.1504 0.4574 0.1121 -0.1954 0.4427 -0.2186 -0.2023 -0.1805 -0.1642 -0.1701 -0.1656 -0.1606 -0.1604 0.8285 -0.5032 -0.5060 -0.5098 4.1731 4.1075 1.1508 1.1709 4.5604 3.7253 1.0924 4.5962 1.0618 1.0975 1.1335 1.1443 1.1372 1.1439 1.1494 1.1525 6.2152 1.9223 1.9481 1.9631 4.1731 4.1075 1.1508 1.1709 4.5604 3.7253 1.0924 4.5962 1.0618 1.0975 1.1335 1.1443 1.1372 1.1439 1.1494 1.1525 6.2152 1.9223 1.9481 1.9631 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 0.9275 1.0770 1.1061 0.9603 0.9200 1.0238 1.0754 1.1583 1.1395 1.1497 0.9674 0.9439 0.7495 1.0998 1.1673 1.1701 1.7855 1.7854 1.8153 0 1 0 2 0 3 0 4 1 5 1 9 1 10 4 11 4 12 4 13 5 7 5 8 5 16 6 7 7 14 7 15 16 17 16 18 16 19 -0.041137492 -1912.814967210006 -7.012392566 9.808527761 2.796135195 3.709186449 -4.999171059 -1.289984610 -1.836156425 2.291369233 0.455212808 SCF 3.112820429 7.912160741 298.15 1.00 349.09 -1912.81496721 0.07583825 0.01540220 0.00141627 0.00141627 -1912.72089422 0.01823474 0.07583825 0.09407299 -1912.72089422 0.00094421 -1912.71995001 0.00000000 0.02695635 0.01593545 0.02064181 0.06353361 -1912.71995001 -0.06353361 -1912.78348362 0.03148359