optical spectra Si35(B)(C10)(N11)(O43)H31 from job 1610 MBJLDA
1.0
11.38450579 0.00000000 0.00000000
0.00000000 11.38450579 0.00000000
0.00000000 0.00000000 11.38450579
Si C N H B O
35 10 11 31 1 43
Direct
0.95337577 0.42897037 0.99101745 # 1 Si1
0.98465732 0.78354110 0.99179053 # 2 Si2
0.67678772 0.96161429 0.93608504 # 3 Si1
0.45539615 0.84638781 0.27203440 # 4 Si2
0.81054797 0.80188755 0.89283261 # 5 Si1
0.52516249 0.41719435 0.25984534 # 6 Si2
0.58061602 0.39455377 0.01920230 # 7 Si1
0.78353368 0.51617079 0.89734666 # 8 Si2
0.16098213 0.49227233 0.57255544 # 9 Si1
0.12056376 0.33484147 0.44771711 # 10 Si2
0.74067016 0.57772730 0.43790524 # 11 Si1
0.83541186 0.46692373 0.70494065 # 12 Si2
0.21726896 0.24332274 0.21757718 # 13 Si1
0.04706261 0.25158117 0.04417851 # 14 Si2
0.35518615 0.66532468 0.53172482 # 15 Si1
0.63925602 0.70200948 0.56710662 # 16 Si2
0.09444313 0.16593917 0.57420995 # 17 Si1
0.04623578 0.80668993 0.58579051 # 18 Si2
0.33577467 0.04280949 0.65050927 # 19 Si1
0.23943280 0.80870504 0.62698728 # 20 Si2
0.80122103 0.91758820 0.64397887 # 21 Si1
0.98259178 0.61671593 0.54350569 # 22 Si2
0.63319915 0.29115583 0.70675089 # 23 Si1
0.40253354 0.49345997 0.02843720 # 24 Si2
0.34500219 0.69199548 0.02470666 # 25 Si3
0.72519438 0.23456587 0.31459292 # 26 Si1
0.49557658 0.00566910 0.45654341 # 27 Si1
0.00538501 0.36017196 0.72962943 # 28 Si1
0.56784488 0.00669158 0.10370841 # 29 Si1
0.21588475 0.76878406 0.26374828 # 30 Si1
0.03191138 0.01918239 0.89019122 # 31 Si1
0.43902162 0.16405756 0.24407317 # 32 Si1
0.60493323 0.08613054 0.68947240 # 33 Si1
0.80480314 0.05113435 0.14502771 # 34 Si1
0.95782381 0.85129436 0.23549480 # 35 Si1
0.06362484 0.55275510 0.02293253 # 36 C1
0.50695531 0.72121360 0.07669612 # 37 C1
0.65720586 0.70537513 0.24316625 # 38 C1
0.63356920 0.26106358 0.93845538 # 39 C1
0.95296323 0.48703180 0.34494353 # 40 C1
0.67361320 0.44105680 0.51045296 # 41 C1
0.27186830 0.31310028 0.07590667 # 42 C1
0.51056484 0.61588448 0.76611426 # 43 C1
0.99369258 0.04289086 0.51646751 # 44 C1
0.49052949 0.37229717 0.70818896 # 45 C1
0.05832294 0.65940150 0.95035547 # 46 N1
0.52532256 0.71866644 0.20760244 # 47 N1
0.68353638 0.59416247 0.29506556 # 48 N1
0.71369413 0.29518171 0.84111246 # 49 N1
0.98143298 0.38155782 0.40968411 # 50 N1
0.73633427 0.37775603 0.60791436 # 51 N1
0.18652616 0.28535159 0.99022297 # 52 N1
0.62234275 0.63922738 0.70332183 # 53 N1
0.95748641 0.94491845 0.60077467 # 54 N1
0.29746632 0.91345092 0.71685656 # 55 N1
0.89707226 0.58039267 0.41890512 # 56 N1
0.15060933 0.51241888 0.01007840 # 57 H1
0.05834850 0.57341761 0.11742475 # 58 H2
0.13526533 0.67563266 0.90525627 # 59 H3
0.56219501 0.65042671 0.04047934 # 60 H1
0.54192738 0.80233149 0.03837407 # 61 H2
0.48253208 0.63597421 0.22862492 # 62 H3
0.67822091 0.77756717 0.30297142 # 63 H1
0.70592427 0.71841406 0.16098356 # 64 H2
0.70576286 0.53216928 0.23372212 # 65 H3
0.56169677 0.20278180 0.91009751 # 66 H1
0.68473267 0.21339543 0.00426894 # 67 H2
0.78138455 0.23549962 0.83830889 # 68 H3
0.03296851 0.52449728 0.30558055 # 69 H1
0.89319225 0.46570579 0.27133432 # 70 H2
0.91466218 0.31855587 0.41040101 # 71 H3
0.64882022 0.37531883 0.44430771 # 72 H1
0.59066302 0.47599930 0.54440683 # 73 H2
0.78482210 0.31372519 0.55907102 # 74 H3
0.35989414 0.28008536 0.05391063 # 75 H1
0.27832591 0.41279711 0.09582640 # 76 H2
0.20368688 0.31148775 0.90636151 # 77 H3
0.43833913 0.66975416 0.72982877 # 78 H1
0.51891235 0.65580862 0.85353017 # 79 H2
0.68634174 0.65983791 0.76241698 # 80 H3
0.03297448 0.00367514 0.43785544 # 81 H1
0.91378262 0.09103014 0.48958368 # 82 H2
0.98282156 0.97330815 0.68584886 # 83 H3
0.31006186 0.88402068 0.80236611 # 84 H3
0.89146865 0.72767601 0.36950110 # 85 H3
0.42859043 0.30273425 0.73429794 # 86 H1
0.47134203 0.38787947 0.61440875 # 87 H2
0.46124165 0.48449834 0.78474062 # 88 B
0.65096822 0.49961141 0.94958488 # 89 O1
0.38587385 0.46592214 0.87707873 # 90 O2
0.80414967 0.22692853 0.42992657 # 91 O1
0.91885255 0.98287624 0.19643548 # 92 O2
0.36544800 0.00111093 0.51369998 # 93 O1
0.59125325 0.03009276 0.55483423 # 94 O2
0.99777740 0.35201330 0.87128325 # 95 O1
0.01331535 0.22565809 0.68050662 # 96 O2
0.45802611 0.93413997 0.16041254 # 97 O1
0.51418356 0.14075055 0.12176751 # 98 O2
0.16083030 0.86081839 0.50854248 # 99 O1
0.20287956 0.65532691 0.36004128 # 100 O2
0.06127970 0.90684227 0.98006014 # 101 O1
0.93574623 0.75896485 0.12769666 # 102 O2
0.50183059 0.10619536 0.35644409 # 103 O1
0.29982469 0.12592581 0.23646140 # 104 O2
0.44919735 0.10619756 0.70777912 # 105 O1
0.76005141 0.04856260 0.67400158 # 106 O2
0.68289287 0.98629400 0.19270972 # 107 O1
0.80255676 0.18512117 0.19358113 # 108 O2
0.88333161 0.81391064 0.35139549 # 109 O1
0.09766502 0.84582224 0.26314624 # 110 O2
0.71263028 0.82970901 0.57098662 # 111 O1
0.29677312 0.54434815 0.58914997 # 112 O1
0.84219569 0.83607241 0.75525363 # 113 O1
0.87786065 0.59360700 0.64524850 # 114 O1
0.25457612 0.71935885 0.13716714 # 115 O1
0.22087392 0.13026886 0.63576928 # 116 O1
0.53129992 0.88429758 0.38595320 # 117 O1
0.32057415 0.85123352 0.31279158 # 118 O1
0.30799209 0.75022034 0.90490848 # 119 O1
0.43526625 0.51269192 0.18962617 # 120 O1
0.77479503 0.66304682 0.90049072 # 121 O1
0.43360814 0.30392788 0.26101855 # 122 O1
0.08166437 0.21216202 0.18049602 # 123 O1
0.49818783 0.68636433 0.52243446 # 124 O1
0.00468420 0.13178327 0.97634857 # 125 O1
0.33128323 0.63792085 0.38542894 # 126 O1
0.63108312 0.39319485 0.15542898 # 127 O1
0.60920676 0.01146303 0.82024898 # 128 O1
0.12643806 0.43490188 0.70267891 # 129 O1
0.78983042 0.04087045 0.99910245 # 130 O1
0.21163462 0.32261094 0.33614589 # 131 O1