LITHIUM S 6 1 1.865990 0.005887 2 0.725995 -0.057751 3 0.309251 -0.111789 4 0.110313 0.361605 5 0.048874 -0.241554 6 0.021768 1.027902 S 6 1 1.865990 0.021568 2 0.725995 -0.162539 3 0.309251 0.000231 4 0.110313 0.104303 5 0.048874 2.112288 6 0.021768 -1.974803 S 6 1 1.865990 -0.030846 2 0.725995 0.243037 3 0.309251 0.304338 4 0.110313 -3.800734 5 0.048874 5.123011 6 0.021768 -2.224756 S 6 1 1.865990 0.300202 2 0.725995 -2.168856 3 0.309251 5.224024 4 0.110313 -6.124130 5 0.048874 4.531279 6 0.021768 -1.488295 S 1 1 0.028050 1.000000 P 3 1 1.534000 0.022786 2 0.274900 0.139102 3 0.073620 0.500375 P 1 1 0.055780 1.000000 P 1 1 0.020500 1.000000 D 1 1 0.187400 1.000000 D 1 1 0.080100 1.000000 F 1 1 0.182900 1.000000 COBALT S 8 1 27.936522 -0.007474 2 14.938011 0.211936 3 9.769645 -0.533263 4 2.251871 0.534471 5 1.088580 0.536750 6 0.516218 0.148044 7 0.106962 0.006975 8 0.038033 0.001213 S 8 1 27.936522 -0.000439 2 14.938011 -0.040887 3 9.769645 0.123856 4 2.251871 -0.148786 5 1.088580 -0.279173 6 0.516218 -0.040667 7 0.106962 0.707853 8 0.038033 0.405219 S 8 1 27.936522 -0.033770 2 14.938011 0.003260 3 9.769645 0.314156 4 2.251871 -1.179802 5 1.088580 -0.118347 6 0.516218 1.122775 7 0.106962 0.645616 8 0.038033 -1.134673 S 8 1 27.936522 0.089581 2 14.938011 -0.217837 3 9.769645 -0.222945 4 2.251871 2.575928 5 1.088580 -2.608916 6 0.516218 -0.032275 7 0.106962 1.752589 8 0.038033 -1.413735 S 8 1 27.936522 1.142456 2 14.938011 -6.271663 3 9.769645 7.343849 4 2.251871 -5.069640 5 1.088580 5.070030 6 0.516218 -2.018487 7 0.106962 -0.410536 8 0.038033 1.924104 S 1 1 0.019000 1.000000 P 7 1 16.310172 0.017617 2 12.545701 -0.067242 3 4.409154 0.253781 4 2.172600 0.411786 5 1.075832 0.341583 6 0.516678 0.127173 7 0.205354 0.011320 P 7 1 16.310172 -0.013146 2 12.545701 0.059393 3 4.409154 -0.315138 4 2.172600 -0.308179 5 1.075832 0.062335 6 0.516678 0.340591 7 0.205354 0.413074 P 7 1 16.310172 0.018811 2 12.545701 -0.108632 3 4.409154 0.716760 4 2.172600 0.369047 5 1.075832 -0.842825 6 0.516678 -0.484736 7 0.205354 0.342593 P 7 1 16.310172 0.104869 2 12.545701 -0.044141 3 4.409154 -1.507678 4 2.172600 1.329327 5 1.075832 0.865088 6 0.516678 -1.274437 7 0.205354 -0.486830 P 7 1 16.310172 -0.800761 2 12.545701 1.207028 3 4.409154 1.360752 4 2.172600 -3.724264 5 1.075832 3.262418 6 0.516678 -0.581920 7 0.205354 -1.520883 P 1 1 0.100000 1.000000 D 6 1 11.521032 0.083231 2 5.442077 0.265686 3 2.289843 0.343942 4 0.941792 0.336784 5 0.366714 0.239213 6 0.129496 0.088039 D 6 1 11.521032 -0.093570 2 5.442077 -0.352010 3 2.289843 -0.326266 4 0.941792 0.155939 5 0.366714 0.494779 6 0.129496 0.346994 D 6 1 11.521032 -0.106734 2 5.442077 -0.533766 3 2.289843 0.015711 4 0.941792 0.816938 5 0.366714 -0.104448 6 0.129496 -0.595625 D 6 1 11.521032 -0.232471 2 5.442077 -0.773720 3 2.289843 1.237684 4 0.941792 -0.167961 5 0.366714 -0.841484 6 0.129496 0.644330 D 1 1 0.065000 1.000000 F 1 1 0.746956 1.000000 F 1 1 6.544415 1.000000 F 1 1 2.403119 1.000000 G 1 1 1.815736 1.000000 G 1 1 5.269943 1.000000 H 1 1 4.168072 1.000000 STRONTIUM S 9 1 12.537926 0.056019 2 9.644559 -0.319559 3 7.418891 0.496897 4 3.106116 -0.693521 5 0.731407 0.559915 6 0.421768 0.476488 7 0.236198 0.239153 8 0.057380 0.010270 9 0.023248 0.000444 S 9 1 12.537926 -0.009645 2 9.644559 0.074660 3 7.418891 -0.133872 4 3.106116 0.221481 5 0.731407 -0.178482 6 0.421768 -0.367483 7 0.236198 -0.143888 8 0.057380 0.819749 9 0.023248 0.378443 S 9 1 12.537926 -0.016059 2 9.644559 -0.036282 3 7.418891 0.162875 4 3.106116 -0.403863 5 0.731407 0.657318 6 0.421768 0.725036 7 0.236198 -0.864069 8 0.057380 -1.614344 9 0.023248 1.741258 S 9 1 12.537926 -0.125134 2 9.644559 0.156435 3 7.418891 0.213703 4 3.106116 -1.061274 5 0.731407 4.359650 6 0.421768 -3.467142 7 0.236198 -0.891330 8 0.057380 2.086032 9 0.023248 -1.282998 S 9 1 12.537926 2.037797 2 9.644559 -6.067064 3 7.418891 4.911417 4 3.106116 -0.545722 5 0.731407 -6.919687 6 0.421768 13.929019 7 0.236198 -9.286061 8 0.057380 2.974344 9 0.023248 -1.329968 P 8 1 8.031300 -0.027375 2 6.169712 0.134451 3 4.737447 -0.141446 4 2.557380 -0.288234 5 1.958905 0.251489 6 0.755919 0.484837 7 0.346062 0.478923 8 0.144393 0.116113 P 8 1 8.031300 -0.076563 2 6.169712 0.260116 3 4.737447 -0.361526 4 2.557380 1.223168 5 1.958905 -1.150741 6 0.755919 -0.648497 7 0.346062 0.005398 8 0.144393 1.027073 P 8 1 8.031300 0.054262 2 6.169712 -0.233234 3 4.737447 0.166259 4 2.557380 1.433437 5 1.958905 -1.749155 6 0.755919 -1.304300 7 0.346062 2.787813 8 0.144393 -1.637281 P 8 1 8.031300 0.443890 2 6.169712 -1.457695 3 4.737447 1.808789 4 2.557380 -7.120063 5 1.958905 9.464353 6 0.755919 -5.409259 7 0.346062 3.647445 8 0.144393 -1.200652 P 8 1 8.031300 -3.573652 2 6.169712 15.710668 3 4.737447 -22.479168 4 2.557380 36.590892 5 1.958905 -29.892274 6 0.755919 6.083337 7 0.346062 -2.797918 8 0.144393 0.749287 D 7 1 2.597486 -0.123249 2 2.259068 0.131478 3 0.851914 0.183936 4 0.374411 0.259131 5 0.151068 0.324639 6 0.058848 0.377687 7 0.022210 0.198546 D 7 1 2.597486 -0.393968 2 2.259068 0.421141 3 0.851914 0.667093 4 0.374411 0.283968 5 0.151068 -0.248146 6 0.058848 -0.332207 7 0.022210 -0.173660 D 7 1 2.597486 1.630523 2 2.259068 -2.017227 3 0.851914 -0.676016 4 0.374411 1.147224 5 0.151068 0.051300 6 0.058848 -0.345399 7 0.022210 -0.207316 D 7 1 2.597486 2.649823 2 2.259068 -3.493564 3 0.851914 0.658274 4 0.374411 0.579760 5 0.151068 -1.095998 6 0.058848 0.134034 7 0.022210 0.654300 S 1 1 0.018536 1.000000 P 1 1 0.206837 1.000000 D 1 1 0.434602 1.000000 F 1 1 0.503613 1.000000 F 1 1 1.291269 1.000000 G 1 1 1.106997 1.000000 MAGNESIUM S 6 1 1.478260 0.044288 2 0.730245 -0.302453 3 0.310223 0.115083 4 0.092031 0.665354 5 0.043335 0.341308 6 0.019667 0.055695 S 6 1 1.478260 0.125665 2 0.730245 -0.856674 3 0.310223 1.205157 4 0.092031 1.223081 5 0.043335 -1.734563 6 0.019667 0.022266 S 6 1 1.478260 0.008241 2 0.730245 -1.118360 3 0.310223 3.295080 4 0.092031 -4.237659 5 0.043335 2.590640 6 0.019667 -0.070145 S 6 1 1.478260 -2.118227 2 0.730245 5.088602 3 0.310223 -3.579907 4 0.092031 0.840281 5 0.043335 1.054358 6 0.019667 -1.140703 P 6 1 1.152482 -0.033073 2 0.480621 -0.143375 3 0.284194 0.316043 4 0.114904 0.557585 5 0.060492 0.303614 6 0.018183 0.021914 P 6 1 1.152482 -0.091813 2 0.480621 -0.493346 3 0.284194 1.772705 4 0.114904 -0.358226 5 0.060492 -0.751459 6 0.018183 -0.035985 P 6 1 1.152482 -0.550495 2 0.480621 1.999008 3 0.284194 -0.430519 4 0.114904 -2.364542 5 0.060492 1.907259 6 0.018183 -0.036759 S 1 1 0.039990 1.000000 D 1 1 0.136700 1.000000 D 1 1 0.063600 1.000000 F 1 1 0.139700 1.000000 IRON S 8 1 25.882657 -0.010318 2 14.037755 0.230364 3 9.007794 -0.566551 4 2.068350 0.544437 5 0.993498 0.540001 6 0.471151 0.143115 7 0.102489 0.007386 8 0.036902 0.001869 S 8 1 25.882657 0.000341 2 14.037755 -0.047646 3 9.007794 0.136465 4 2.068350 -0.153371 5 0.993498 -0.288555 6 0.471151 -0.044212 7 0.102489 0.704768 8 0.036902 0.415407 S 8 1 25.882657 -0.030967 2 14.037755 -0.034192 3 9.007794 0.383443 4 2.068350 -1.259192 5 0.993498 -0.098913 6 0.471151 1.194321 7 0.102489 0.555024 8 0.036902 -1.077563 S 8 1 25.882657 0.429968 2 14.037755 -1.786544 3 9.007794 1.482641 4 2.068350 2.684004 5 0.993498 -6.152490 6 0.471151 4.806621 7 0.102489 -2.134831 8 0.036902 0.805728 S 8 1 25.882657 1.274830 2 14.037755 -6.369131 3 9.007794 7.265762 4 2.068350 -4.893384 5 0.993498 4.859963 6 0.471151 -1.939411 7 0.102489 -0.429262 8 0.036902 1.856456 S 1 1 0.017500 1.000000 P 7 1 16.659389 0.007223 2 10.450653 -0.070315 3 4.183289 0.229161 4 2.117962 0.393199 5 1.064494 0.361596 6 0.514743 0.154139 7 0.210442 0.016498 P 7 1 16.659389 -0.005560 2 10.450653 0.063506 3 4.183289 -0.276956 4 2.117962 -0.321479 5 1.064494 -0.004808 6 0.514743 0.330833 7 0.210442 0.357095 P 7 1 16.659389 0.008185 2 10.450653 -0.125348 3 4.183289 0.657186 4 2.117962 0.505908 5 1.064494 -0.773757 6 0.514743 -0.592779 7 0.210442 0.185315 P 7 1 16.659389 0.037533 2 10.450653 0.089805 3 4.183289 -1.569597 4 2.117962 1.106861 5 1.064494 1.129157 6 0.514743 -1.167998 7 0.210442 -0.795499 P 7 1 16.659389 -0.348881 2 10.450653 0.672826 3 4.183289 1.674870 4 2.117962 -3.923602 5 1.064494 2.917359 6 0.514743 0.019595 7 0.210442 -1.965905 P 1 1 0.105000 1.000000 D 6 1 10.232413 0.081591 2 4.841151 0.263190 3 2.039827 0.342856 4 0.840565 0.338326 5 0.328485 0.240730 6 0.116926 0.088375 D 6 1 10.232413 -0.086500 2 4.841151 -0.339738 3 2.039827 -0.328882 4 0.840565 0.130025 5 0.328485 0.494941 6 0.116926 0.365933 D 6 1 10.232413 -0.101424 2 4.841151 -0.548492 3 2.039827 -0.002091 4 0.840565 0.828457 5 0.328485 -0.088206 6 0.116926 -0.590958 D 6 1 10.232413 -0.233647 2 4.841151 -0.793234 3 2.039827 1.273621 4 0.840565 -0.201388 5 0.328485 -0.821928 6 0.116926 0.641824 D 1 1 0.058000 1.000000 F 1 1 0.817020 1.000000 F 1 1 2.413470 1.000000 F 1 1 6.141057 1.000000 G 1 1 1.926033 1.000000 G 1 1 4.951166 1.000000 H 1 1 4.344918 1.000000 SCANDIUM S 8 1 14.340060 -0.078031 2 11.030816 0.229159 3 4.956052 -0.556010 4 1.248420 0.513414 5 0.625736 0.556322 6 0.308962 0.184934 7 0.068006 0.010551 8 0.026968 0.000963 S 8 1 14.340060 0.015177 2 11.030816 -0.051889 3 4.956052 0.149051 4 1.248420 -0.139407 5 0.625736 -0.321755 6 0.308962 -0.099731 7 0.068006 0.761949 8 0.026968 0.371138 S 8 1 14.340060 0.003597 2 11.030816 -0.098568 3 4.956052 0.506582 4 1.248420 -1.247846 5 0.625736 -0.404928 6 0.308962 1.402576 7 0.068006 0.684129 8 0.026968 -1.278781 S 8 1 14.340060 0.079407 2 11.030816 -0.000908 3 4.956052 -0.688282 4 1.248420 3.365983 5 0.625736 -3.459386 6 0.308962 0.232684 7 0.068006 2.050467 8 0.026968 -1.871192 S 8 1 14.340060 1.050091 2 11.030816 -1.664638 3 4.956052 0.452792 4 1.248420 3.869141 5 0.625736 -7.984445 6 0.308962 5.944605 7 0.068006 -2.855579 8 0.026968 1.647227 S 1 1 0.013500 1.000000 P 7 1 8.073316 0.035772 2 6.208610 -0.112134 3 2.639156 -0.017985 4 2.025978 0.305032 5 0.948129 0.463364 6 0.437784 0.333596 7 0.182729 0.065347 P 7 1 8.073316 -0.040371 2 6.208610 0.118321 3 2.639156 -0.017375 4 2.025978 -0.338425 5 0.948129 -0.383677 6 0.437784 0.290556 7 0.182729 0.203590 P 7 1 8.073316 -0.055793 2 6.208610 0.190050 3 2.639156 0.164316 4 2.025978 -1.133656 5 0.948129 -0.037341 6 0.437784 1.022948 7 0.182729 0.378815 P 7 1 8.073316 -0.081070 2 6.208610 0.378559 3 2.639156 -1.343150 4 2.025978 -0.455800 5 0.948129 2.060607 6 0.437784 -0.266049 7 0.182729 -1.762004 P 7 1 8.073316 -0.239711 2 6.208610 -0.027330 3 2.639156 6.554416 4 2.025978 -7.042686 5 0.948129 0.111048 6 0.437784 2.553168 7 0.182729 -3.022061 P 1 1 0.090000 1.000000 D 6 1 5.791447 0.045257 2 2.648100 0.200610 3 1.104076 0.305670 4 0.436301 0.356715 5 0.162724 0.323528 6 0.056842 0.149427 D 6 1 5.791447 -0.033400 2 2.648100 -0.332413 3 1.104076 -0.461114 4 0.436301 0.070362 5 0.162724 0.460141 6 0.056842 0.360392 D 6 1 5.791447 0.018690 2 2.648100 -0.556953 3 1.104076 -0.168370 4 0.436301 0.895198 5 0.162724 -0.048136 6 0.056842 -0.615407 D 6 1 5.791447 -0.096115 2 2.648100 -1.070892 3 1.104076 1.337547 4 0.436301 -0.182631 5 0.162724 -0.751139 6 0.056842 0.631839 D 1 1 0.028000 1.000000 F 1 1 0.350775 1.000000 F 1 1 2.750970 1.000000 F 1 1 1.151958 1.000000 G 1 1 1.086040 1.000000 G 1 1 2.709130 1.000000 H 1 1 2.187900 1.000000 ZINC S 8 1 22.307721 -0.035476 2 17.159785 0.368381 3 13.199835 -0.613613 4 2.677376 0.613159 5 1.184813 0.520106 6 0.467852 0.064820 7 0.148337 -0.003007 8 0.051068 0.002372 S 8 1 22.307721 -0.005048 2 17.159785 -0.052386 3 13.199835 0.128796 4 2.677376 -0.195106 5 1.184813 -0.277562 6 0.467852 -0.006175 7 0.148337 0.714318 8 0.051068 0.425003 S 8 1 22.307721 0.215443 2 17.159785 -0.424470 3 13.199835 0.062047 4 2.677376 0.883307 5 1.184813 -0.198460 6 0.467852 -0.488003 7 0.148337 -0.980381 8 0.051068 1.126140 S 8 1 22.307721 0.787030 2 17.159785 -1.868246 3 13.199835 0.890400 4 2.677376 2.170779 5 1.184813 -2.194257 6 0.467852 -0.370226 7 0.148337 1.610223 8 0.051068 -0.780105 S 8 1 22.307721 3.214221 2 17.159785 -8.896761 3 13.199835 6.274343 4 2.677376 1.007908 5 1.184813 -3.786367 6 0.467852 4.143892 7 0.148337 -2.434650 8 0.051068 0.540521 S 1 1 0.025000 1.000000 P 7 1 21.442521 0.015147 2 16.493675 -0.059821 3 5.884905 0.248797 4 2.911305 0.405926 5 1.449559 0.344426 6 0.699905 0.132627 7 0.276113 0.011440 P 7 1 21.442521 -0.008913 2 16.493675 0.056732 3 5.884905 -0.378364 4 2.911305 -0.323737 5 1.449559 0.120265 6 0.699905 0.390628 7 0.276113 0.317217 P 7 1 21.442521 0.002837 2 16.493675 -0.076615 3 5.884905 0.684701 4 2.911305 0.341587 5 1.449559 -0.832886 6 0.699905 -0.415762 7 0.276113 0.243662 P 7 1 21.442521 0.122936 2 16.493675 -0.075150 3 5.884905 -1.440238 4 2.911305 1.250002 5 1.449559 0.855954 6 0.699905 -1.113359 7 0.276113 -0.781070 P 7 1 21.442521 -0.783495 2 16.493675 1.165359 3 5.884905 1.423092 4 2.911305 -3.725499 5 1.449559 3.049883 6 0.699905 -0.269493 7 0.276113 -1.793060 P 1 1 0.140000 1.000000 D 6 1 16.423495 0.069648 2 8.076103 0.254450 3 3.561545 0.331895 4 1.522508 0.336792 5 0.618350 0.249702 6 0.226736 0.092431 D 6 1 16.423495 -0.096634 2 8.076103 -0.394295 3 3.561545 -0.368146 4 1.522508 0.225925 5 0.618350 0.518695 6 0.226736 0.251161 D 6 1 16.423495 -0.091934 2 8.076103 -0.582693 3 3.561545 0.115688 4 1.522508 0.873563 5 0.618350 -0.287109 6 0.226736 -0.552124 D 6 1 16.423495 -0.199538 2 8.076103 -0.755426 3 3.561545 1.161486 4 1.522508 -0.089947 5 0.618350 -0.907980 6 0.226736 0.607735 D 1 1 0.114000 1.000000 F 1 1 1.100364 1.000000 F 1 1 3.449349 1.000000 F 1 1 9.118726 1.000000 G 1 1 2.458936 1.000000 G 1 1 7.197913 1.000000 H 1 1 5.710068 1.000000 VANADIUM S 8 1 18.360298 -0.023212 2 11.577461 0.200288 3 6.390046 -0.554320 4 1.528787 0.565283 5 0.728830 0.543474 6 0.349741 0.134989 7 0.084685 0.008039 8 0.031952 0.002293 S 8 1 18.360298 0.002873 2 11.577461 -0.043911 3 6.390046 0.144148 4 1.528787 -0.165823 5 0.728830 -0.313756 6 0.349741 -0.055699 7 0.084685 0.717312 8 0.031952 0.416763 S 8 1 18.360298 -0.031819 2 11.577461 -0.046029 3 6.390046 0.462693 4 1.528787 -1.442433 5 0.728830 -0.000277 6 0.349741 1.287516 7 0.084685 0.431527 8 0.031952 -1.042715 S 8 1 18.360298 0.122350 2 11.577461 -0.172159 3 6.390046 -0.404415 4 1.528787 3.033929 5 0.728830 -3.605592 6 0.349741 0.680494 7 0.084685 1.789742 8 0.031952 -1.637100 S 8 1 18.360298 0.682255 2 11.577461 -1.805171 3 6.390046 1.265422 4 1.528787 2.580047 5 0.728830 -6.324731 6 0.349741 5.377920 7 0.084685 -2.862113 8 0.031952 1.455052 S 1 1 0.016000 1.000000 P 7 1 13.883264 0.003648 2 6.174000 -0.175046 3 4.772897 0.155473 4 2.182411 0.346594 5 1.049492 0.443410 6 0.492680 0.263803 7 0.206309 0.042826 P 7 1 13.883264 -0.004258 2 6.174000 0.186132 3 4.772897 -0.192145 4 2.182411 -0.384477 5 1.049492 -0.232167 6 0.492680 0.303537 7 0.206309 0.264620 P 7 1 13.883264 0.007159 2 6.174000 -0.382858 3 4.772897 0.418004 4 2.182411 0.934866 5 1.049492 -0.287782 6 0.492680 -0.927823 7 0.206309 -0.149248 P 7 1 13.883264 -0.029428 2 6.174000 1.279254 3 4.772897 -1.988262 4 2.182411 -0.569290 5 1.049492 2.090593 6 0.492680 -0.734301 7 0.206309 -1.405388 P 7 1 13.883264 0.023729 2 6.174000 1.948424 3 4.772897 -4.240938 4 2.182411 2.998392 5 1.049492 -0.327057 6 0.492680 -2.200438 7 0.206309 2.902526 P 1 1 0.100000 1.000000 D 6 1 7.384196 0.067593 2 3.350355 0.246802 3 1.398721 0.336404 4 0.571472 0.349348 5 0.223722 0.260107 6 0.081466 0.096334 D 6 1 7.384196 -0.063942 2 3.350355 -0.348023 3 1.398721 -0.366609 4 0.571472 0.116939 5 0.223722 0.488920 6 0.081466 0.364762 D 6 1 7.384196 -0.044709 2 3.350355 -0.597343 3 1.398721 -0.033960 4 0.571472 0.882317 5 0.223722 -0.129939 6 0.081466 -0.587769 D 6 1 7.384196 -0.232991 2 3.350355 -0.893533 3 1.398721 1.453019 4 0.571472 -0.429664 5 0.223722 -0.653894 6 0.081466 0.637078 D 1 1 0.040000 1.000000 F 1 1 0.609615 1.000000 F 1 1 2.266045 1.000000 F 1 1 4.034968 1.000000 G 1 1 1.862300 1.000000 G 1 1 4.493135 1.000000 H 1 1 2.943397 1.000000 NICKEL S 8 1 30.258290 -0.006754 2 15.329562 0.285782 3 10.827340 -0.617275 4 2.529540 0.528687 5 1.212611 0.546651 6 0.569930 0.153300 7 0.111595 0.006357 8 0.039214 0.000559 S 8 1 30.258290 -0.000711 2 15.329562 -0.052825 3 10.827340 0.134235 4 2.529540 -0.135340 5 1.212611 -0.276025 6 0.569930 -0.041762 7 0.111595 0.712058 8 0.039214 0.395186 S 8 1 30.258290 -0.028867 2 15.329562 -0.026894 3 10.827340 0.325312 4 2.529540 -1.017838 5 1.212611 -0.263044 6 0.569930 1.078192 7 0.111595 0.768498 8 0.039214 -1.218367 S 8 1 30.258290 0.077232 2 15.329562 -0.172441 3 10.827340 -0.285653 4 2.529540 2.483551 5 1.212611 -2.236910 6 0.569930 -0.309581 7 0.111595 1.731936 8 0.039214 -1.354586 S 8 1 30.258290 -0.371856 2 15.329562 2.115572 3 10.827340 -1.875080 4 2.529540 -2.731699 5 1.212611 6.025353 6 0.569930 -4.432439 7 0.111595 1.719811 8 0.039214 -0.504806 S 1 1 0.020000 1.000000 P 7 1 17.542947 0.018554 2 13.493407 -0.069837 3 4.676387 0.282703 4 2.262485 0.422489 5 1.104951 0.325854 6 0.524422 0.107669 7 0.201013 0.008076 P 7 1 17.542947 -0.010625 2 13.493407 0.056656 3 4.676387 -0.349026 4 2.262485 -0.282173 5 1.104951 0.094042 6 0.524422 0.364373 7 0.201013 0.428117 P 7 1 17.542947 0.009328 2 13.493407 -0.094785 3 4.676387 0.767269 4 2.262485 0.264838 5 1.104951 -0.879272 6 0.524422 -0.391378 7 0.201013 0.416768 P 7 1 17.542947 -0.142759 2 13.493407 0.103869 3 4.676387 1.485555 4 2.262485 -1.470537 5 1.104951 -0.668792 6 0.524422 1.308684 7 0.201013 0.316027 P 7 1 17.542947 -0.896533 2 13.493407 1.362048 3 4.676387 1.146521 4 2.262485 -3.542611 5 1.104951 3.411034 6 0.524422 -0.954567 7 0.201013 -1.262489 P 1 1 0.100000 1.000000 D 6 1 12.226319 0.083677 2 5.865728 0.274473 3 2.498731 0.342297 4 1.032777 0.331910 5 0.402547 0.234937 6 0.141517 0.086590 D 6 1 12.226319 -0.097977 2 5.865728 -0.364843 3 2.498731 -0.311735 4 1.032777 0.173709 5 0.402547 0.495418 6 0.141517 0.335459 D 6 1 12.226319 -0.112487 2 5.865728 -0.533716 3 2.498731 0.049232 4 1.032777 0.800619 5 0.402547 -0.113290 6 0.141517 -0.599733 D 6 1 12.226319 -0.244385 2 5.865728 -0.758147 3 2.498731 1.242338 4 1.032777 -0.172956 5 0.402547 -0.841311 6 0.141517 0.639784 D 1 1 0.070000 1.000000 F 1 1 0.815699 1.000000 F 1 1 7.146715 1.000000 F 1 1 2.646736 1.000000 G 1 1 1.982205 1.000000 G 1 1 5.841060 1.000000 H 1 1 4.638902 1.000000 RUBIDIUM S 8 1 9.767225 -0.072358 2 7.513250 0.179488 3 2.694294 -0.499645 4 0.633389 0.414757 5 0.409050 0.499081 6 0.201657 0.319280 7 0.034640 0.005694 8 0.015189 -0.001424 S 8 1 9.767225 0.016043 2 7.513250 -0.042332 3 2.694294 0.132859 4 0.633389 -0.129005 5 0.409050 -0.204416 6 0.201657 -0.199195 7 0.034640 0.750685 8 0.015189 0.388186 S 8 1 9.767225 -0.085889 2 7.513250 0.238678 3 2.694294 -0.867484 4 0.633389 3.599294 5 0.409050 -1.879202 6 0.201657 -1.295026 7 0.034640 0.244264 8 0.015189 0.243444 S 8 1 9.767225 -0.640259 2 7.513250 0.892788 3 2.694294 0.243552 4 0.633389 -8.466251 5 0.409050 12.435451 6 0.201657 -5.244962 7 0.034640 0.390300 8 0.015189 0.242031 S 8 1 9.767225 2.808935 2 7.513250 -4.391430 3 2.694294 2.903666 4 0.633389 -3.103529 5 0.409050 1.662938 6 0.201657 1.016399 7 0.034640 -2.312061 8 0.015189 1.908932 P 7 1 6.343477 0.012668 2 4.879598 0.010587 3 3.131868 -0.146383 4 1.246199 0.088865 5 0.649813 0.443670 6 0.292612 0.483346 7 0.122257 0.137563 P 7 1 6.343477 0.028803 2 4.879598 -0.145777 3 3.131868 0.403476 4 1.246199 -0.503892 5 0.649813 -0.939167 6 0.292612 0.709793 7 0.122257 0.563643 P 7 1 6.343477 0.032476 2 4.879598 0.039075 3 3.131868 -0.486709 4 1.246199 1.556776 5 0.649813 -0.316928 6 0.292612 -1.802466 7 0.122257 1.538441 P 7 1 6.343477 -0.390373 2 4.879598 0.794580 3 3.131868 0.019154 4 1.246199 -3.704536 5 0.649813 5.636475 6 0.292612 -3.976681 7 0.122257 1.525905 P 7 1 6.343477 4.215679 2 4.879598 -10.622705 3 3.131868 10.530147 4 1.246199 -7.904990 5 0.649813 6.187374 6 0.292612 -2.757044 7 0.122257 0.782126 D 6 1 3.634479 -0.002835 2 0.636322 0.095349 3 0.192312 0.121831 4 0.052088 0.294960 5 0.016287 0.635141 6 0.005344 0.190060 D 6 1 3.634479 -0.018264 2 0.636322 0.870358 3 0.192312 0.202742 4 0.052088 -0.103526 5 0.016287 -0.156987 6 0.005344 -0.054265 D 6 1 3.634479 -0.076942 2 0.636322 -0.840401 3 0.192312 1.314372 4 0.052088 -0.343322 5 0.016287 -0.031323 6 0.005344 -0.093352 D 6 1 3.634479 0.759835 2 0.636322 -0.234624 3 0.192312 -0.164982 4 0.052088 0.925047 5 0.016287 -0.688622 6 0.005344 0.046366 S 1 1 0.398962 1.000000 P 1 1 0.248810 1.000000 D 1 1 0.376507 1.000000 F 1 1 0.497178 1.000000 F 1 1 1.125130 1.000000 G 1 1 0.929753 1.000000 MANGANESE S 8 1 23.645068 -0.014659 2 13.462029 0.223661 3 8.212629 -0.564535 4 1.859943 0.554600 5 0.889754 0.534536 6 0.422560 0.142766 7 0.097455 0.004770 8 0.035595 0.000441 S 8 1 23.645068 0.001613 2 13.462029 -0.047599 3 8.212629 0.136570 4 1.859943 -0.160624 5 0.889754 -0.264489 6 0.422560 -0.060593 7 0.097455 0.633136 8 0.035595 0.490003 S 8 1 23.645068 -0.040623 2 13.462029 -0.045716 3 8.212629 0.504797 4 1.859943 -1.831860 5 0.889754 0.491612 6 0.422560 1.193469 7 0.097455 0.124452 8 0.035595 -0.716669 S 8 1 23.645068 0.162229 2 13.462029 -0.409782 3 8.212629 -0.089043 4 1.859943 3.105762 5 0.889754 -4.484535 6 0.422560 1.708160 7 0.097455 1.307897 8 0.035595 -1.490146 S 8 1 23.645068 0.704071 2 13.462029 -2.598445 3 8.212629 2.376836 4 1.859943 1.391972 5 0.889754 -4.717697 6 0.422560 4.522334 7 0.097455 -2.927992 8 0.035595 1.875388 S 1 1 0.018000 1.000000 P 7 1 17.803317 0.003171 2 8.834995 -0.080060 3 4.161340 0.185735 4 2.129196 0.375367 5 1.063713 0.388624 6 0.510141 0.192450 7 0.211302 0.026146 P 7 1 17.803317 -0.004080 2 8.834995 0.117011 3 4.161340 -0.361627 4 2.129196 -0.563508 5 1.063713 0.102395 6 0.510141 0.571356 7 0.211302 0.310046 P 7 1 17.803317 0.005030 2 8.834995 -0.156795 3 4.161340 0.602679 4 2.129196 0.513609 5 1.063713 -0.908215 6 0.510141 -0.418146 7 0.211302 0.371296 P 7 1 17.803317 0.014899 2 8.834995 0.225576 3 4.161340 -1.784375 4 2.129196 1.175073 5 1.063713 1.191127 6 0.510141 -1.327791 7 0.211302 -0.567365 P 7 1 17.803317 -0.202411 2 8.834995 0.501844 3 4.161340 1.819051 4 2.129196 -4.085961 5 1.063713 3.041186 6 0.510141 -0.107117 7 0.211302 -1.916742 P 1 1 0.105000 1.000000 D 6 1 9.253736 0.076285 2 4.363016 0.247722 3 1.834821 0.330050 4 0.756118 0.334518 5 0.296092 0.263545 6 0.106125 0.118241 D 6 1 9.253736 -0.085874 2 4.363016 -0.354436 3 1.834821 -0.361447 4 0.756118 0.126629 5 0.296092 0.481402 6 0.106125 0.347897 D 6 1 9.253736 -0.091633 2 4.363016 -0.585058 3 1.834821 0.047403 4 0.756118 0.839531 5 0.296092 -0.138765 6 0.106125 -0.544890 D 6 1 9.253736 -0.232214 2 4.363016 -0.802283 3 1.834821 1.328790 4 0.756118 -0.310552 5 0.296092 -0.744041 6 0.106125 0.608147 D 1 1 0.050000 1.000000 F 1 1 0.605263 1.000000 F 1 1 1.903458 1.000000 F 1 1 4.999938 1.000000 G 1 1 1.601712 1.000000 G 1 1 4.404981 1.000000 H 1 1 3.584182 1.000000 HYDROGEN S 6 1 6.359201 -0.004943 2 3.546637 0.049579 3 1.493442 0.037176 4 0.551948 0.287908 5 0.207203 0.009543 6 0.079234 0.770084 S 6 1 6.359201 -0.016672 2 3.546637 -0.005774 3 1.493442 -0.227982 4 0.551948 -0.285652 5 0.207203 -1.071579 6 0.079234 1.423767 S 6 1 6.359201 -0.018886 2 3.546637 -0.058854 3 1.493442 -0.556988 4 0.551948 -1.084022 5 0.207203 2.721525 6 0.079234 -1.458091 S 6 1 6.359201 -0.081999 2 3.546637 -0.069460 3 1.493442 -2.075555 4 0.551948 4.125180 5 0.207203 -3.407591 6 0.079234 1.264873 S 1 1 0.102700 1.000000 P 1 1 2.292000 1.000000 P 1 1 0.838000 1.000000 P 1 1 0.292000 1.000000 D 1 1 2.062000 1.000000 D 1 1 0.662000 1.000000 F 1 1 1.397000 1.000000 BARIUM S 9 1 7.668827 0.099903 2 5.899098 -0.539014 3 4.537768 0.789884 4 1.939767 -0.919853 5 0.485416 0.685412 6 0.316438 0.352069 7 0.191001 0.313113 8 0.046602 0.012071 9 0.019586 0.000195 S 9 1 7.668827 -0.020684 2 5.899098 0.142186 3 4.537768 -0.235880 4 1.939767 0.325146 5 0.485416 -0.241735 6 0.316438 -0.361947 7 0.191001 -0.195150 8 0.046602 0.854162 9 0.019586 0.372375 S 9 1 7.668827 -0.018216 2 5.899098 -0.083670 3 4.537768 0.274989 4 1.939767 -0.559768 5 0.485416 0.739773 6 0.316438 1.068059 7 0.191001 -1.183905 8 0.046602 -1.686402 9 0.019586 1.807458 S 9 1 7.668827 -0.160137 2 5.899098 0.132541 3 4.537768 0.413133 4 1.939767 -1.481466 5 0.485416 6.593089 6 0.316438 -5.746413 7 0.191001 -0.649048 8 0.046602 2.273219 9 0.019586 -1.391931 S 9 1 7.668827 2.487652 2 5.899098 -7.386905 3 4.537768 5.928959 4 1.939767 -0.493136 5 0.485416 -11.812316 6 0.316438 22.222535 7 0.191001 -13.106317 8 0.046602 3.361152 9 0.019586 -1.492533 P 8 1 5.748216 -0.007820 2 4.359494 0.025098 3 2.694811 0.130142 4 2.054688 -0.371710 5 1.325476 0.045562 6 0.533933 0.512549 7 0.252234 0.522043 8 0.106579 0.115212 P 8 1 5.748216 -0.070208 2 4.359494 0.228384 3 2.694811 -1.018839 4 2.054688 1.622011 5 1.325476 -0.723284 6 0.533933 -0.759934 7 0.252234 -0.102172 8 0.106579 1.116375 P 8 1 5.748216 -0.020008 2 4.359494 0.102486 3 2.694811 -1.184510 4 2.054688 2.482766 5 1.325476 -1.525193 6 0.533933 -1.791667 7 0.252234 3.163544 8 0.106579 -1.697757 P 8 1 5.748216 0.441868 2 4.359494 -1.422805 3 2.694811 6.538463 4 2.054688 -12.051914 5 1.325476 10.226631 6 0.533933 -6.343621 7 0.252234 4.041302 8 0.106579 -1.253559 P 8 1 5.748216 -4.314390 2 4.359494 14.729282 3 2.694811 -49.406606 4 2.054688 61.173353 5 1.325476 -26.324104 6 0.533933 6.785296 7 0.252234 -3.050998 8 0.106579 0.779468 D 7 1 1.291237 -0.081526 2 0.620118 0.242122 3 0.245894 0.363230 4 0.100378 0.363001 5 0.043471 0.279462 6 0.019366 0.080598 7 0.005614 0.001495 D 7 1 1.291237 -0.226381 2 0.620118 0.924147 3 0.245894 0.238044 4 0.100378 -0.428248 5 0.043471 -0.294578 6 0.019366 -0.098393 7 0.005614 0.000523 D 7 1 1.291237 0.073354 2 0.620118 -1.374534 3 0.245894 1.685846 4 0.100378 -0.480729 5 0.043471 -0.254943 6 0.019366 -0.159212 7 0.005614 0.012185 D 7 1 1.291237 0.665769 2 0.620118 -0.112516 3 0.245894 -1.118617 4 0.100378 1.996063 5 0.043471 -1.287636 6 0.019366 -0.062097 7 0.005614 -0.065178 S 1 1 0.044672 1.000000 P 1 1 0.148023 1.000000 D 1 1 0.280688 1.000000 F 1 1 0.338308 1.000000 F 1 1 1.039840 1.000000 G 1 1 0.814130 1.000000 COPPER S 8 1 27.846787 -0.019337 2 21.420605 0.088614 3 10.537250 -0.355859 4 2.535596 0.538088 5 1.249684 0.511137 6 0.599846 0.147640 7 0.115508 0.005905 8 0.040127 0.000168 S 8 1 27.846787 -0.002653 2 21.420605 -0.007542 3 10.537250 0.079756 4 2.535596 -0.155301 5 1.249684 -0.253078 6 0.599846 -0.028168 7 0.115508 0.712360 8 0.040127 0.388847 S 8 1 27.846787 -0.108225 2 21.420605 0.155097 3 10.537250 0.156606 4 2.535596 -1.025066 5 1.249684 -0.115985 6 0.599846 0.963662 7 0.115508 0.819969 8 0.040127 -1.230596 S 8 1 27.846787 0.308358 2 21.420605 -0.499172 3 10.537250 -0.075195 4 2.535596 2.516321 5 1.249684 -2.492951 6 0.599846 -0.137030 7 0.115508 1.613150 8 0.040127 -1.236465 S 8 1 27.846787 1.279156 2 21.420605 -2.318256 3 10.537250 1.383616 4 2.535596 2.295548 5 1.249684 -5.779232 6 0.599846 4.420432 7 0.115508 -1.710334 8 0.040127 0.552647 S 1 1 0.020000 1.000000 P 7 1 18.594006 0.003652 2 14.303011 -0.037076 3 5.631420 0.217120 4 2.683011 0.440973 5 1.258573 0.358723 6 0.574084 0.114846 7 0.209230 0.007316 P 7 1 18.594006 -0.005212 2 14.303011 0.047110 3 5.631420 -0.332863 4 2.683011 -0.357365 5 1.258573 0.140341 6 0.574084 0.398939 7 0.209230 0.415033 P 7 1 18.594006 0.004617 2 14.303011 -0.078992 3 5.631420 0.652499 4 2.683011 0.379411 5 1.258573 -0.901852 6 0.574084 -0.351232 7 0.209230 0.465721 P 7 1 18.594006 -0.097012 2 14.303011 0.041139 3 5.631420 1.373807 4 2.683011 -1.146739 5 1.258573 -0.893878 6 0.574084 1.379927 7 0.209230 0.241322 P 7 1 18.594006 0.774459 2 14.303011 -1.224682 3 5.631420 -1.163829 4 2.683011 3.273509 5 1.258573 -2.920338 6 0.574084 0.714647 7 0.209230 1.304414 P 1 1 0.105000 1.000000 D 6 1 15.787287 0.084222 2 7.203213 0.255433 3 2.973606 0.349966 4 1.207024 0.341672 5 0.464046 0.241697 6 0.161015 0.092583 D 6 1 15.787287 -0.103533 2 7.203213 -0.358095 3 2.973606 -0.347318 4 1.207024 0.199302 5 0.464046 0.494175 6 0.161015 0.341900 D 6 1 15.787287 0.107244 2 7.203213 0.497247 3 2.973606 0.016638 4 1.207024 -0.888579 5 0.464046 0.062604 6 0.161015 0.701567 D 6 1 15.787287 -0.220914 2 7.203213 -0.735792 3 2.973606 1.073012 4 1.207024 0.353164 5 0.464046 -0.581493 6 0.161015 0.748439 D 1 1 0.800000 1.000000 F 1 1 8.512609 1.000000 F 1 1 3.033526 1.000000 G 1 1 2.210568 1.000000 G 1 1 6.552008 1.000000 H 1 1 5.052863 1.000000 F 1 1 0.938528 1.000000 CESIUM S 8 1 8.550325 -0.029241 2 5.842621 0.098301 3 1.648331 -0.489131 4 0.671392 -0.089889 5 0.400830 0.851669 6 0.172129 0.479902 7 0.027883 0.010125 8 0.012661 -0.003102 S 8 1 8.550325 0.007746 2 5.842621 -0.027891 3 1.648331 0.158615 4 0.671392 0.012978 5 0.400830 -0.331365 6 0.172129 -0.288264 7 0.027883 0.824514 8 0.012661 0.326060 S 8 1 8.550325 -0.090949 2 5.842621 0.250139 3 1.648331 -1.343357 4 0.671392 2.095624 5 0.400830 0.865253 6 0.172129 -2.085356 7 0.027883 0.323332 8 0.012661 0.213379 S 8 1 8.550325 0.004514 2 5.842621 0.127845 3 1.648331 -2.360678 4 0.671392 10.218845 5 0.400830 -11.064696 6 0.172129 3.633466 7 0.027883 0.018365 8 0.012661 -0.454664 S 8 1 8.550325 0.847149 2 5.842621 -1.482328 3 1.648331 1.310117 4 0.671392 0.831124 5 0.400830 -2.982324 6 0.172129 2.502452 7 0.027883 -2.935821 8 0.012661 2.379018 P 7 1 5.889092 -0.000325 2 3.217760 0.082741 3 2.244936 -0.211311 4 0.872867 -0.117777 5 0.570741 0.476090 6 0.245890 0.583238 7 0.102479 0.177461 P 7 1 5.889092 0.005847 2 3.217760 -0.189345 3 2.244936 0.461426 4 0.872867 0.084312 5 0.570741 -1.477717 6 0.245890 0.496504 7 0.102479 0.743335 P 7 1 5.889092 0.006016 2 3.217760 -0.338322 3 2.244936 0.938988 4 0.872867 -1.750300 5 0.570741 -0.125834 6 0.245890 2.355014 7 0.102479 -1.617844 P 7 1 5.889092 0.041785 2 3.217760 -0.862073 3 2.244936 2.321945 4 0.872867 -8.889588 5 0.570741 10.274385 6 0.245890 -4.504365 7 0.102479 1.535194 P 7 1 5.889092 1.462653 2 3.217760 -9.708347 3 2.244936 12.988980 4 0.872867 -11.840361 5 0.570741 9.445273 6 0.245890 -2.563085 7 0.102479 0.649430 D 6 1 2.495395 0.022198 2 1.888219 -0.045568 3 0.402947 0.182091 4 0.060596 0.380572 5 0.023404 0.370509 6 0.009039 0.408565 D 6 1 2.495395 0.017088 2 1.888219 -0.103040 3 0.402947 0.996033 4 0.060596 0.008025 5 0.023404 -0.220790 6 0.009039 -0.121410 D 6 1 2.495395 1.332417 2 1.888219 -1.771911 3 0.402947 -0.026731 4 0.060596 1.152020 5 0.023404 -0.978846 6 0.009039 0.085496 D 6 1 2.495395 -2.102233 2 1.888219 2.905964 3 0.402947 -0.707112 4 0.060596 0.884276 5 0.023404 -0.643690 6 0.009039 0.025097 S 1 1 0.070711 1.000000 P 1 1 0.172591 1.000000 D 1 1 0.227673 1.000000 F 1 1 0.349853 1.000000 F 1 1 0.711023 1.000000 G 1 1 0.626345 1.000000 CALCIUM S 8 1 13.477361 -0.068812 2 10.366318 0.195841 3 4.451759 -0.499643 4 1.034535 0.486822 5 0.564680 0.488475 6 0.301117 0.248699 7 0.067769 0.012110 8 0.026665 0.000284 S 8 1 13.477361 0.015699 2 10.366318 -0.049635 3 4.451759 0.145436 4 1.034535 -0.147502 5 0.564680 -0.288572 6 0.301117 -0.173348 7 0.067769 0.762592 8 0.026665 0.417691 S 8 1 13.477361 -0.006948 2 10.366318 0.056970 3 4.451759 -0.266642 4 1.034535 0.537766 5 0.564680 0.557346 6 0.301117 -0.600386 7 0.067769 -1.666858 8 0.026665 1.730097 S 8 1 13.477361 0.044286 2 10.366318 0.050856 3 4.451759 -0.712139 4 1.034535 3.410218 5 0.564680 -2.419355 6 0.301117 -1.067876 7 0.067769 1.860022 8 0.026665 -1.143686 S 8 1 13.477361 -0.921727 2 10.366318 1.420992 3 4.451759 -0.257945 4 1.034535 -5.485149 5 0.564680 11.036964 6 0.301117 -7.473783 7 0.067769 2.506560 8 0.026665 -1.146327 P 7 1 7.675629 0.027362 2 5.900655 -0.084484 3 2.665766 -0.076649 4 2.044642 0.276402 5 0.918736 0.457956 6 0.421800 0.386995 7 0.176537 0.089635 P 7 1 7.675629 -0.006243 2 5.900655 0.048318 3 2.665766 0.507648 4 2.044642 -1.036016 5 0.918736 -0.312149 6 0.421800 0.190137 7 0.176537 0.856880 P 7 1 7.675629 -0.143357 2 5.900655 0.357390 3 2.665766 -0.230640 4 2.044642 -0.669554 5 0.918736 -0.480028 6 0.421800 2.213388 7 0.176537 -1.590456 P 7 1 7.675629 0.058709 2 5.900655 0.165904 3 2.665766 -0.848016 4 2.044642 -1.519120 5 0.918736 4.069132 6 0.421800 -3.376440 7 0.176537 1.237197 P 7 1 7.675629 -0.469099 2 5.900655 0.136810 3 2.665766 11.935066 4 2.044642 -15.506656 5 0.918736 6.743602 6 0.421800 -3.357922 7 0.176537 0.946169 D 6 1 5.262963 0.040805 2 2.239047 0.180718 3 0.848828 0.299968 4 0.301758 0.306863 5 0.100864 0.372598 6 0.032751 0.268735 D 6 1 5.262963 0.038233 2 2.239047 0.386451 3 0.848828 0.541224 4 0.301758 -0.149400 5 0.100864 -0.398345 6 0.032751 -0.278415 D 6 1 5.262963 -0.005744 2 2.239047 -0.907685 3 0.848828 0.505431 4 0.301758 0.676700 5 0.100864 -0.408355 6 0.032751 -0.242543 D 6 1 5.262963 -0.148799 2 2.239047 -0.740245 3 0.848828 1.361242 4 0.301758 -0.985972 5 0.100864 -0.143122 6 0.032751 0.651668 S 1 1 0.026301 1.000000 P 1 1 0.027772 1.000000 D 1 1 0.053700 1.000000 F 1 1 0.488300 1.000000 F 1 1 0.116500 1.000000 G 1 1 0.146600 1.000000 TITANIUM S 8 1 15.219933 -0.073265 2 11.699608 0.235541 3 5.687890 -0.550536 4 1.336288 0.594155 5 0.624474 0.540870 6 0.295808 0.112045 7 0.076436 0.007476 8 0.029425 0.002550 S 8 1 15.219933 0.013450 2 11.699608 -0.052264 3 5.687890 0.146213 4 1.336288 -0.175669 5 0.624474 -0.328641 6 0.295808 -0.040926 7 0.076436 0.732596 8 0.029425 0.402040 S 8 1 15.219933 -0.031752 2 11.699608 -0.047623 3 5.687890 0.467057 4 1.336288 -1.441960 5 0.624474 0.064029 6 0.295808 1.247941 7 0.076436 0.439242 8 0.029425 -1.071834 S 8 1 15.219933 0.218320 2 11.699608 -0.247574 3 5.687890 -0.446350 4 1.336288 3.082414 5 0.624474 -3.762793 6 0.295808 0.834080 7 0.076436 1.745087 8 0.029425 -1.609358 S 8 1 15.219933 1.388743 2 11.699608 -2.346606 3 5.687890 1.066202 4 1.336288 2.494357 5 0.624474 -6.218348 6 0.295808 5.573711 7 0.076436 -3.234025 8 0.029425 1.721845 S 1 1 0.015000 1.000000 P 7 1 10.379118 0.020139 2 7.983937 -0.041713 3 6.141490 -0.055348 4 2.303689 0.302880 5 1.071753 0.469056 6 0.489880 0.321537 7 0.203240 0.059823 P 7 1 10.379118 -0.026727 2 7.983937 0.062910 3 6.141490 0.030277 4 2.303689 -0.360398 5 1.071753 -0.351747 6 0.489880 0.285495 7 0.203240 0.209200 P 7 1 10.379118 -0.027196 2 7.983937 0.046963 3 6.141490 0.132917 4 2.303689 -0.967489 5 1.071753 -0.049570 6 0.489880 1.032371 7 0.203240 0.339639 P 7 1 10.379118 -0.454481 2 7.983937 1.483150 3 6.141490 -1.151116 4 2.303689 -1.513356 5 1.071753 2.250354 6 0.489880 -0.353750 7 0.203240 -1.724932 P 7 1 10.379118 1.620289 2 7.983937 -5.832172 3 6.141490 5.768479 4 2.303689 -1.251463 5 1.071753 -1.431923 6 0.489880 3.248779 7 0.203240 -3.349661 P 1 1 0.100000 1.000000 D 6 1 6.490086 0.059096 2 2.981939 0.226612 3 1.253123 0.323168 4 0.508429 0.354961 5 0.196258 0.285475 6 0.070470 0.114711 D 6 1 6.490086 -0.050402 2 2.981939 -0.335530 3 1.253123 -0.400756 4 0.508429 0.083919 5 0.196258 0.478069 6 0.070470 0.376742 D 6 1 6.490086 -0.013220 2 2.981939 -0.584162 3 1.253123 -0.113546 4 0.508429 0.898000 5 0.196258 -0.079932 6 0.070470 -0.602523 D 6 1 6.490086 -0.181592 2 2.981939 -0.981880 3 1.253123 1.426799 4 0.508429 -0.322724 5 0.196258 -0.700484 6 0.070470 0.629163 D 1 1 0.035000 1.000000 F 1 1 0.412936 1.000000 F 1 1 1.318974 1.000000 F 1 1 3.218988 1.000000 G 1 1 1.198889 1.000000 G 1 1 3.118753 1.000000 H 1 1 2.558085 1.000000 SODIUM S 6 1 1.478260 0.016543 2 0.730245 -0.070302 3 0.310223 -0.112523 4 0.092031 0.249490 5 0.043335 -0.049536 6 0.019667 0.919011 S 6 1 1.478260 0.047476 2 0.730245 -0.203137 3 0.310223 -0.054702 4 0.092031 0.305867 5 0.043335 1.913205 6 0.019667 -1.942172 S 6 1 1.478260 -0.141159 2 0.730245 0.624950 3 0.310223 -0.305184 4 0.092031 -3.427996 5 0.043335 5.157414 6 0.019667 -2.323563 S 6 1 1.478260 0.525461 2 0.730245 -2.551559 3 0.310223 4.755408 4 0.092031 -5.892065 5 0.043335 5.132835 6 0.019667 -1.748376 S 1 1 0.023070 1.000000 P 6 1 1.191176 0.008098 2 0.688275 -0.046550 3 0.158308 -0.009617 4 0.094423 0.244709 5 0.036269 0.617743 6 0.014748 0.251068 P 6 1 1.191176 0.040009 2 0.688275 -0.174299 3 0.158308 0.297309 4 0.094423 1.054921 5 0.036269 -0.693321 6 0.014748 -0.360859 P 6 1 1.191176 0.049373 2 0.688275 -0.316164 3 0.158308 3.096768 4 0.094423 -3.109690 5 0.036269 0.145766 6 0.014748 0.651657 D 1 1 0.136700 1.000000 D 1 1 0.063600 1.000000 F 1 1 0.139700 1.000000 BERYLLIUM S 6 1 1.534946 0.031822 2 1.126766 -0.284692 3 0.791542 0.134293 4 0.178640 0.447713 5 0.073776 0.501301 6 0.032780 0.143845 S 6 1 1.534946 0.371714 2 1.126766 -1.460040 3 0.791542 1.125926 4 0.178640 1.598045 5 0.073776 -1.306671 6 0.032780 -0.328239 S 6 1 1.534946 1.888350 2 1.126766 -6.876878 3 0.791542 6.623484 4 0.178640 -1.836895 5 0.073776 -0.300817 6 0.032780 1.035726 S 6 1 1.534946 -2.442333 2 1.126766 3.460239 3 0.791542 0.148521 4 0.178640 -3.441646 5 0.073776 4.916180 6 0.032780 -2.706087 S 1 1 0.058900 1.000000 P 3 1 3.619000 0.029105 2 0.711000 0.169466 3 0.195100 0.512969 P 1 1 0.143800 1.000000 P 1 1 0.049940 1.000000 D 1 1 0.180300 1.000000 D 1 1 0.348000 1.000000 F 1 1 0.325000 1.000000 POTASSIUM S 8 1 12.069048 -0.070763 2 9.279420 0.193428 3 3.843824 -0.493653 4 0.980495 0.365802 5 0.507987 0.597102 6 0.235140 0.269210 7 0.038580 0.004569 8 0.016566 -0.001158 S 8 1 12.069048 0.013322 2 9.279420 -0.039190 3 3.843824 0.111796 4 0.980495 -0.089775 5 0.507987 -0.205832 6 0.235140 -0.178814 7 0.038580 0.722698 8 0.016566 0.404078 S 8 1 12.069048 -0.070942 2 9.279420 0.237264 3 3.843824 -0.832982 4 0.980495 2.382744 5 0.507987 -0.673282 6 0.235140 -1.321024 7 0.038580 0.256722 8 0.016566 0.200108 S 8 1 12.069048 -0.676705 2 9.279420 0.981397 3 3.843824 0.157663 4 0.980495 -4.793247 5 0.507987 7.530417 6 0.235140 -3.931210 7 0.038580 0.344567 8 0.016566 0.214648 S 8 1 12.069048 3.855148 2 9.279420 -6.361399 3 3.843824 4.304962 4 0.980495 -3.593827 5 0.507987 2.455262 6 0.235140 0.029479 7 0.038580 -1.678517 8 0.016566 1.479492 P 7 1 7.064005 0.026186 2 5.416953 -0.071147 3 2.711517 -0.143338 4 2.078824 0.267792 5 0.854092 0.438107 6 0.374019 0.435410 7 0.154283 0.129704 P 7 1 7.064005 -0.020278 2 5.416953 0.058346 3 2.711517 0.636570 4 2.078824 -1.049953 5 0.854092 -0.752403 6 0.374019 0.731023 7 0.154283 0.490763 P 7 1 7.064005 0.056535 2 5.416953 -0.182992 3 2.711517 -0.820658 4 2.078824 2.129538 5 0.854092 -0.701656 6 0.374019 -1.213006 7 0.154283 1.325680 P 7 1 7.064005 -0.052045 2 5.416953 0.351154 3 2.711517 -0.198625 4 2.078824 -2.045908 5 0.854092 3.768536 6 0.374019 -3.432447 7 0.154283 1.536047 P 7 1 7.064005 0.317572 2 5.416953 -1.767431 3 2.711517 14.615325 4 2.078824 -16.279295 5 0.854092 5.501568 6 0.374019 -2.784944 7 0.154283 0.858224 D 6 1 2.800270 0.032813 2 0.814743 0.081949 3 0.214162 0.087435 4 0.052469 0.259192 5 0.016177 0.660947 6 0.005297 0.221836 D 6 1 2.800270 0.280064 2 0.814743 0.749156 3 0.214162 0.132601 4 0.052469 -0.071315 5 0.016177 -0.117915 6 0.005297 -0.046267 D 6 1 2.800270 -0.692360 2 0.814743 0.054140 3 0.214162 0.860364 4 0.052469 -0.224203 5 0.016177 -0.015374 6 0.005297 -0.066302 D 6 1 2.800270 0.949204 2 0.814743 -1.163227 3 0.214162 0.913016 4 0.052469 -0.114406 5 0.016177 -0.062331 6 0.005297 -0.050799 S 1 1 0.018206 1.000000 P 1 1 0.174519 1.000000 D 1 1 0.070000 1.000000 F 1 1 0.204000 1.000000 F 1 1 0.068000 1.000000 G 1 1 0.888000 1.000000 HELIUM S 6 1 14.724593 0.035459 2 5.876024 0.096816 3 2.184104 0.214521 4 0.859307 0.340033 5 0.346900 0.349025 6 0.140004 0.133138 S 6 1 14.724593 -0.057627 2 5.876024 -0.205015 3 2.184104 -0.625120 4 0.859307 -0.249861 5 0.346900 0.718294 6 0.140004 0.368902 S 6 1 14.724593 -0.104628 2 5.876024 -0.758661 3 2.184104 -0.418641 4 0.859307 1.932151 5 0.346900 -0.644297 6 0.140004 -0.560811 S 1 1 0.297600 1.000000 P 1 1 5.994000 1.000000 P 1 1 1.745000 1.000000 P 1 1 0.560000 1.000000 D 1 1 4.299000 1.000000 D 1 1 1.223000 1.000000 F 1 1 2.680000 1.000000 CHROMIUM S 8 1 20.873522 -0.018325 2 12.659846 0.201956 3 7.354468 -0.536231 4 1.649421 0.566443 5 0.787288 0.532355 6 0.374416 0.127019 7 0.091528 0.007694 8 0.033937 0.002901 S 8 1 20.873522 0.002335 2 12.659846 -0.045706 3 7.354468 0.140403 4 1.649421 -0.174037 5 0.787288 -0.303901 6 0.374416 -0.042007 7 0.091528 0.705589 8 0.033937 0.424512 S 8 1 20.873522 -0.036655 2 12.659846 -0.029926 3 7.354468 0.423092 4 1.649421 -1.499751 5 0.787288 0.165705 6 0.374416 1.210049 7 0.091528 0.386886 8 0.033937 -0.996321 S 8 1 20.873522 0.129840 2 12.659846 -0.235286 3 7.354468 -0.277227 4 1.649421 2.934469 5 0.787288 -3.649836 6 0.374416 0.800115 7 0.091528 1.697296 8 0.033937 -1.562651 S 8 1 20.873522 0.639757 2 12.659846 -1.921269 3 7.354468 1.489592 4 1.649421 2.333281 5 0.787288 -5.963462 6 0.374416 5.188380 7 0.091528 -2.795759 8 0.033937 1.354657 S 1 1 0.017000 1.000000 P 7 1 18.121991 0.001927 2 7.510490 -0.101677 3 4.409955 0.147326 4 2.158933 0.363875 5 1.057519 0.420813 6 0.501316 0.223477 7 0.210059 0.031914 P 7 1 18.121991 -0.002319 2 7.510490 0.105040 3 4.409955 -0.185359 4 2.158933 -0.399926 5 1.057519 -0.132928 6 0.501316 0.338694 7 0.210059 0.261723 P 7 1 18.121991 0.004053 2 7.510490 -0.208320 3 4.409955 0.412232 4 2.158933 0.836587 5 1.057519 -0.523185 6 0.501316 -0.791625 7 0.210059 -0.067599 P 7 1 18.121991 -0.008795 2 7.510490 0.477214 3 4.409955 -1.520743 4 2.158933 0.051536 5 1.057519 1.847344 6 0.501316 -0.964678 7 0.210059 -1.210775 P 7 1 18.121991 0.067259 2 7.510490 0.232599 3 4.409955 -2.573728 4 2.158933 3.554905 5 1.057519 -1.415443 6 0.501316 -1.415038 7 0.210059 2.671861 P 1 1 0.105000 1.000000 D 6 1 8.430220 0.074668 2 3.951450 0.244538 3 1.658641 0.337668 4 0.684856 0.347566 5 0.269935 0.255319 6 0.098084 0.093373 D 6 1 8.430220 -0.077497 2 3.951450 -0.344496 3 1.658641 -0.362186 4 0.684856 0.128854 5 0.269935 0.490414 6 0.098084 0.357756 D 6 1 8.430220 -0.065325 2 3.951450 -0.567648 3 1.658641 -0.038105 4 0.684856 0.873066 5 0.269935 -0.117794 6 0.098084 -0.597830 D 6 1 8.430220 -0.238828 2 3.951450 -0.854329 3 1.658641 1.385147 4 0.684856 -0.327994 5 0.269935 -0.738872 6 0.098084 0.651519 D 1 1 0.049000 1.000000 F 1 1 0.550420 1.000000 F 1 1 1.743525 1.000000 F 1 1 4.486405 1.000000 G 1 1 1.455987 1.000000 G 1 1 3.945120 1.000000 H 1 1 3.164456 1.000000