test SLAB 1 21.5321 20.2270 90.0000 346 35 0.789830 0.257500 22.123540 35 0.793460 0.685710 22.920385 35 0.624740 0.162410 15.112477 35 0.864640 0.506930 16.219367 35 0.626870 0.434330 27.013253 35 0.498060 0.815010 24.093436 35 0.192690 0.696220 16.773299 35 0.215130 0.266550 16.188882 6 0.269800 0.334180 16.808650 6 0.367820 0.363360 17.849055 6 0.326830 0.315470 17.373608 6 0.531600 0.614800 23.509018 6 0.527670 0.677420 24.096030 6 0.511830 0.605460 22.170566 6 0.504280 0.729040 23.326428 6 0.489050 0.657640 21.403234 6 0.251770 0.400110 16.708760 6 0.292800 0.448570 17.178370 6 0.357360 0.608960 18.073806 6 0.485200 0.719910 21.996733 6 0.255200 0.632540 17.164749 6 0.345170 0.542070 17.871757 6 0.243480 0.565970 16.914701 6 0.289130 0.519970 17.274043 6 0.481770 0.442760 16.592655 6 0.402830 0.532790 20.783791 6 0.564860 0.485880 19.785222 6 0.553900 0.459490 18.489579 6 0.514650 0.513800 20.511690 6 0.493130 0.462150 17.937594 6 0.453870 0.513710 19.966515 6 0.442800 0.487930 18.678656 6 0.311480 0.654350 17.719653 6 0.554540 0.551800 23.982844 6 0.350830 0.429540 17.726464 6 0.578010 0.530760 25.215569 6 0.548410 0.506110 22.914223 6 0.685770 0.648060 21.431450 6 0.644630 0.604320 20.816871 6 0.738820 0.624140 22.088514 6 0.752950 0.557030 22.139107 6 0.657350 0.536870 20.896653 6 0.711720 0.512800 21.531988 6 0.682160 0.309940 20.832763 6 0.736360 0.326660 21.535231 6 0.657380 0.424800 20.649524 6 0.751840 0.391960 21.821602 6 0.711740 0.441700 21.375343 6 0.560800 0.259160 16.645519 6 0.551850 0.319870 17.272422 6 0.641830 0.359200 20.386828 6 0.665150 0.291580 15.919051 6 0.616580 0.246330 15.972887 6 0.563230 0.439500 23.070543 6 0.587020 0.419020 24.300349 6 0.695530 0.410400 16.715571 6 0.756480 0.424720 16.322500 6 0.660510 0.458060 17.435877 6 0.594460 0.464560 25.347566 6 0.684040 0.520910 17.698897 6 0.744890 0.534650 17.310042 6 0.656260 0.352850 16.542711 6 0.599030 0.366820 17.183883 6 0.780490 0.486500 16.652329 248 0.111800 0.332930 8.781180 248 0.055550 0.166590 6.715936 248 0.111110 0.999930 0.500095 248 0.277780 0.333260 6.715936 248 0.220830 0.833230 8.766261 248 0.222220 0.833260 0.500095 248 0.280270 0.334670 10.982961 248 0.129820 0.984980 12.545516 248 0.205490 0.818030 12.514706 248 0.279390 0.667090 10.925882 248 0.055070 0.833500 10.974205 248 0.111110 0.333260 4.643881 248 0.222220 0.499930 0.500095 248 0.054240 0.500760 11.019609 248 0.130770 0.652790 12.546489 248 0.111110 0.666600 4.643881 248 0.277780 0.666600 6.715936 248 0.111110 0.666600 0.500095 248 0.220330 0.498670 8.752965 248 0.277780 0.666600 2.571826 248 0.222220 0.499930 4.643881 248 0.055550 0.499930 2.571826 248 0.131130 0.319590 12.560110 248 0.205090 0.153390 12.570488 248 0.278390 0.001880 10.980367 248 0.055600 0.167730 10.997231 248 0.111950 0.000020 8.782477 248 0.221750 0.166740 8.784099 248 0.111500 0.665540 8.773072 248 0.055550 0.499930 6.715936 248 0.055550 0.833260 6.715936 248 0.222220 0.166590 0.500095 248 0.111110 0.999930 4.643881 248 0.612150 0.333390 10.945989 248 0.536420 0.484090 12.576974 248 0.463050 0.652470 12.492004 248 0.555560 0.499930 0.500095 248 0.555560 0.166590 4.643881 248 0.611110 0.333260 2.571826 248 0.388890 0.166590 2.571826 248 0.444450 0.333260 0.500095 248 0.722220 0.499930 6.715936 248 0.611110 0.333260 6.715936 248 0.444450 0.333260 4.643881 248 0.388890 0.166590 6.715936 248 0.445110 0.000380 8.781829 248 0.389480 0.169320 11.028690 248 0.611760 0.000580 10.947935 248 0.539920 0.153620 12.666810 248 0.444810 0.332620 8.787666 248 0.388890 0.499930 6.715936 248 0.555560 0.833260 4.643881 248 0.444450 0.666600 4.643881 248 0.611110 0.999930 2.571826 248 0.388490 0.500040 10.975178 248 0.554380 0.498990 8.767883 248 0.888890 0.166590 0.500095 248 0.796230 0.319500 12.463464 248 0.111110 0.333260 0.500095 248 0.777780 0.666600 4.643881 248 0.944440 0.666600 6.715936 248 0.777780 0.666600 0.500095 248 0.888890 0.833260 4.643881 248 0.944440 0.999930 2.571826 248 0.722220 0.833260 2.571826 248 0.777780 0.999930 0.500095 248 0.944440 0.999930 6.715936 248 0.777780 0.999930 4.643881 248 0.388890 0.833260 2.571826 248 0.722220 0.833260 6.715936 248 0.779480 0.666030 8.757829 248 0.721550 0.834100 10.949557 248 0.945540 0.665760 10.997880 248 0.870440 0.817620 12.516003 248 0.795800 0.985120 12.523138 248 0.888890 0.833260 0.500095 248 0.888890 0.499930 4.643881 248 0.944440 0.666600 2.571826 248 0.722220 0.499930 2.571826 248 0.871390 0.152420 12.507571 248 0.888740 0.832390 8.775991 248 0.444450 0.999930 0.500095 248 0.554030 0.166510 8.775018 248 0.055550 0.166590 2.571826 248 0.388890 0.499930 2.571826 248 0.444450 0.666600 0.500095 248 0.867950 0.486140 12.633081 248 0.794600 0.651840 12.512436 248 0.611110 0.666600 6.715936 248 0.888890 0.499930 0.500095 248 0.277780 0.999930 2.571826 248 0.205220 0.487490 12.504652 248 0.945780 0.000670 10.985556 248 0.720140 0.167940 10.973232 248 0.888890 0.166590 4.643881 248 0.778780 0.999920 8.779234 248 0.888250 0.166010 8.770478 248 0.722220 0.166590 6.715936 248 0.777780 0.333260 4.643881 248 0.944440 0.333260 6.715936 248 0.777780 0.333260 0.500095 248 0.222220 0.833260 4.643881 248 0.611110 0.999930 6.715936 248 0.464420 0.320310 12.655783 248 0.945910 0.334820 11.000799 248 0.722220 0.166590 2.571826 248 0.611110 0.666600 2.571826 248 0.555560 0.499930 4.643881 248 0.444450 0.999930 4.643881 248 0.277780 0.333260 2.571826 248 0.388890 0.833260 6.715936 248 0.553980 0.832710 8.756856 248 0.222220 0.166590 4.643881 248 0.445870 0.665490 8.753613 248 0.387900 0.834110 10.955394 248 0.555560 0.166590 0.500095 248 0.944440 0.333260 2.571826 248 0.888890 0.499590 8.794801 248 0.611970 0.666530 10.966421 248 0.537480 0.818970 12.498814 248 0.779870 0.332650 8.749397 248 0.719650 0.501020 10.929125 248 0.461360 0.984550 12.501085 248 0.277780 0.999930 6.715936 248 0.555560 0.833260 0.500095 248 0.055550 0.833260 2.571826 1 0.206960 0.413370 16.279366 1 0.199780 0.550370 16.462929 1 0.319090 0.707020 17.880190 1 0.401050 0.626090 18.503201 1 0.338850 0.263270 17.444309 1 0.542840 0.685870 25.121517 1 0.524300 0.221870 16.667572 1 0.508450 0.329630 17.794895 1 0.708350 0.279290 15.405659 1 0.793660 0.403750 22.387533 1 0.764940 0.583000 17.520199 1 0.656670 0.558850 18.197695 1 0.784690 0.388630 15.785757 1 0.411540 0.348650 18.311206 1 0.599580 0.345600 19.853977 1 0.599640 0.367390 24.450832 1 0.794980 0.539730 22.635960 1 0.556760 0.403720 22.268834 1 0.603720 0.623340 20.304127 1 0.582980 0.564870 26.052629 1 0.676640 0.701020 21.404207 1 0.467210 0.761690 21.428531 1 0.671570 0.258180 20.635254 1 0.474260 0.650900 20.369315 7 0.601620 0.431090 17.728410 7 0.360850 0.547420 21.464530 7 0.382710 0.486690 18.142561 7 0.624290 0.483040 20.362829 7 0.522880 0.539230 21.806035 7 0.469670 0.426610 15.500359 16 0.611110 0.541070 2.571826 16 0.444450 0.541070 4.643881 16 0.442720 0.539700 8.830476 16 0.437200 0.538580 13.138690 16 0.111110 0.541070 0.500095 16 0.105450 0.537840 13.176310 16 0.111110 0.541070 4.643881 16 0.230500 0.373030 13.135771 16 0.055550 0.374410 6.715936 16 0.277780 0.541070 6.715936 16 0.055550 0.374410 2.571826 16 0.108590 0.539520 8.855448 16 0.566770 0.370250 13.139987 16 0.770690 0.870080 13.128960 16 0.277780 0.541070 2.571826 16 0.388890 0.374410 6.715936 16 0.555560 0.707740 0.500095 16 0.058310 0.373930 10.907071 16 0.891360 0.706300 8.848962 16 0.777780 0.874400 0.500095 16 0.723850 0.707330 10.851289 16 0.942810 0.873620 10.890207 16 0.888890 0.707740 0.500095 16 0.888890 0.707740 4.643881 16 0.222220 0.041070 4.643881 16 0.766490 0.537700 13.115988 16 0.776820 0.540100 8.822368 16 0.777780 0.541070 4.643881 16 0.944440 0.541070 2.571826 16 0.223760 0.040530 8.833395 16 0.111110 0.207740 0.500095 16 0.057950 0.040710 10.900909 16 0.276390 0.207690 10.898315 16 0.222220 0.041070 0.500095 16 0.888890 0.374410 4.643881 16 0.277780 0.207740 6.715936 16 0.724220 0.374190 10.836695 16 0.777780 0.541070 0.500095 16 0.891510 0.373470 8.844746 16 0.944440 0.541070 6.715936 16 0.722220 0.374410 6.715936 16 0.722220 0.707740 2.571826 16 0.944440 0.874400 6.715936 16 0.722220 0.707740 6.715936 16 0.894530 0.702720 13.152635 16 0.109600 0.206800 8.840530 16 0.111110 0.207740 4.643881 16 0.277780 0.207740 2.571826 16 0.104800 0.204890 13.169824 16 0.771770 0.204990 13.124420 16 0.776380 0.206630 8.837287 16 0.777780 0.207740 4.643881 16 0.944440 0.207740 2.571826 16 0.723980 0.040890 10.883396 16 0.722220 0.041070 6.715936 16 0.944440 0.207740 6.715936 16 0.895090 0.370460 13.167878 16 0.722220 0.041070 2.571826 16 0.777780 0.207740 0.500095 16 0.943310 0.207740 10.873018 16 0.888890 0.041070 4.643881 16 0.229360 0.037710 13.160743 16 0.888890 0.041070 0.500095 16 0.895340 0.037470 13.145176 16 0.055550 0.041070 6.715936 16 0.109090 0.873850 8.834368 16 0.055550 0.041070 2.571826 16 0.777780 0.874400 4.643881 16 0.944440 0.874400 2.571826 16 0.890840 0.040000 8.841827 16 0.224110 0.372830 8.841827 16 0.941250 0.538970 10.945341 16 0.222220 0.374410 4.643881 16 0.222220 0.707740 0.500095 16 0.222220 0.707740 4.643881 16 0.555560 0.041070 4.643881 16 0.555560 0.041070 0.500095 16 0.111110 0.874400 0.500095 16 0.556770 0.373120 8.823017 16 0.388890 0.374410 2.571826 16 0.611110 0.541070 6.715936 16 0.222220 0.374410 0.500095 16 0.555560 0.707740 4.643881 16 0.609310 0.873700 10.853235 16 0.391300 0.707600 10.848046 16 0.444450 0.874400 0.500095 16 0.276560 0.540530 10.836046 16 0.557260 0.706740 8.829827 16 0.611110 0.874400 6.715936 16 0.388890 0.707740 6.715936 16 0.562660 0.704170 13.135771 16 0.611110 0.874400 2.571826 16 0.444450 0.874400 4.643881 16 0.442700 0.874290 8.826584 16 0.388890 0.707740 2.571826 16 0.105450 0.869550 13.140636 16 0.275910 0.874790 10.863613 16 0.057720 0.706410 10.896693 16 0.223080 0.707150 8.817179 16 0.444450 0.541070 0.500095 16 0.437200 0.869540 13.134474 16 0.393070 0.373180 10.933990 16 0.607290 0.539950 10.887612 16 0.555560 0.374410 0.500095 16 0.555560 0.374410 4.643881 16 0.776970 0.873690 8.823665 16 0.438150 0.204740 13.214255 16 0.442120 0.206700 8.845719 16 0.444450 0.207740 4.643881 16 0.611110 0.207740 2.571826 16 0.561640 0.034730 13.112745 16 0.722220 0.374410 2.571826 16 0.388890 0.041070 6.715936 16 0.388890 0.041070 2.571826 16 0.556950 0.040460 8.820747 16 0.444450 0.207740 0.500095 16 0.390470 0.042060 10.880477 16 0.608010 0.206580 10.889234 16 0.111110 0.874400 4.643881 16 0.277780 0.874400 2.571826 16 0.231720 0.703240 13.111447 16 0.055550 0.707740 6.715936 16 0.277780 0.874400 6.715936 16 0.055550 0.707740 2.571826 16 0.611110 0.207740 6.715936 16 0.888890 0.374410 0.500095 END 35 12 0 0 6 2 1 113286.38776 0.0014283037779 17009.626303 0.0109504174960 3870.1842567 0.0544210066040 1093.0357227 0.1904790769500 356.39721797 0.3902464273700 123.12539643 0.3081443251400 0 0 3 2 1 236.74084007 -0.1122806567100 28.468661070 0.6477596231200 11.883443722 0.4423557598600 0 0 3 2 1 21.269633312 -0.2264257632300 3.6129226841 0.7382371200800 1.6626648969 0.4268386869400 0 0 1 2 1 0.5091510600 1.0000000000000 0 0 1 0 1 0.2448482800 1.0000000000000 0 2 5 6 1 1560.2801881 0.0087166669072 368.47859205 0.0662436374200 117.22978849 0.2649561038500 42.648909248 0.5383916058700 16.087225096 0.3657938788800 0 2 3 6 1 8.6352810058 0.3424878736600 3.5613665502 0.5750067821300 1.5292626609 0.2433039417200 0 2 1 5 1 0.5560447400 1.0000000000000 0 2 1 0 1 0.1564046700 1.0000000000000 0 3 4 10 1 104.85518642 0.0226501475810 30.281143688 0.1345548323000 10.651394267 0.3647445453700 3.8699456233 0.4904458705600 0 3 1 0 1 1.2561204000 1.0000000000000 0 3 1 0 1 0.2125147300 1.0000000000000 6 6 0 0 5 2 1 1238.40169380 0.0054568832082 186.290049920 0.0406384092110 42.2511763460 0.1802559388800 11.6765579320 0.4631512175500 3.59305064820 0.4408717331400 0 0 1 2 1 0.46866670000 1.0000000000000 0 0 1 0 1 0.23547146000 1.0000000000000 0 2 3 2 1 9.46809706210 0.0383878717280 2.01035451420 0.2111702511200 0.54771004707 0.5132817211400 0 2 1 0 1 0.21046214000 1.0000000000000 0 3 1 0 1 0.52857792000 1.0000000000000 1 3 0 0 3 1 1 24.62344998 0.01857031 3.640664800 0.14010862 0.773177290 0.55558583 0 0 1 0 1 0.196065500 1.00000000 0 2 1 0 1 0.184819860 1.00000000 7 6 0 0 5 2 1 1712.8415853 -0.0053934125305 257.64812677 -0.0402215811180 58.458245853 -0.1793114499000 16.198367905 -0.4637631782300 5.0052600809 -0.4417142266200 0 0 1 2 1 0.6348591000 1.0000000000000 0 0 1 0 1 0.2108223500 1.0000000000000 0 2 3 3 1 13.571470233 -0.0400723988520 2.9257372874 -0.2180704502800 0.7992775075 -0.5129446604900 0 2 1 0 1 0.2391884400 1.0000000000000 0 3 1 0 1 0.5119810200 1.0000000000000 16 8 0 0 5 2 1 9184.9303010 -0.0022294387756 1381.5105503 -0.0166830299370 313.87147580 -0.0752624361160 88.053870623 -0.1937682703800 27.039914905 -0.1771802080300 0 0 3 2 1 45.648731303 -0.1073606257300 4.9664522326 0.6506629301800 2.0116242047 0.5971215535400 0 0 1 2 1 0.3846557700 1.0000000000000 0 0 1 0 1 0.1485543300 1.0000000000000 0 2 5 6 1 261.98233439 -0.0092729929822 61.306894736 -0.0665476692410 19.103729887 -0.2482859590300 6.6567720378 -0.4870384740200 2.3959635161 -0.3933785031200 0 2 1 4 1 0.6742097700 1.0000000000000 0 2 1 0 1 0.1697373600 1.0000000000000 0 3 1 0 1 0.1500000000 1.0000000000000 248 8 INPUT 20. 0 2 4 4 2 0 13.355176 270.039448 0 7.308378 38.877766 0 12.659728 64.607470 0 12.289639 129.219445 0 6.786176 10.622558 0 6.400743 21.265046 0 11.161722 31.663965 0 11.219615 47.489216 0 4.537733 5.186200 0 4.335727 7.566063 0 11.478986 -12.632785 0 11.487027 -16.760171 0 0 0 3 2 1.0 9.72701100000 -1.793007531600 7.83752300000 2.611031897100 5.08919400000 0.107484289490 0 0 1 2 1.0 1.29763118000 1.000000000000 0 0 1 0 1.0 0.25498356000 1.000000000000 0 2 4 6 1.0 4.74271600000 -1.041192305100 3.93665500000 1.100368233200 1.35692431420 0.653666394110 0.58791569541 0.246323691130 0 2 1 0 1.0 0.15000001000 1.000000000000 0 3 4 10 1.0 7.86310408590 -0.021376239365 3.29350591330 0.225963995680 1.45036760250 0.452944029720 0.59373316766 0.392189719580 0 3 1 0 1.0 0.20914758000 1.000000000000 0 4 1 0 1.0 1.59813000000 1.000000000000 99 0 END DFT M062X END SHRINK 3 3 FMIXING 50 BROYDEN 0.0001 50 2 TOLINTEG 10 10 10 10 12 MAXCYCLE 100 END