Optical spectra, MC-H30, from job 697
1.0
13.99000000 0.00000000 0.00000000
0.00000000 13.99000000 0.00000000
0.00000000 0.00000000 13.99000000
Si O H
50 136 30
Direct
0.07691028 0.05031640 0.04960182 # 1 Si1
0.23979655 0.13436364 0.36198342 # 2 Si2
0.18046013 0.26747618 0.20849470 # 3 Si4
0.26033587 0.04708039 0.92372305 # 4 Si6
0.14493250 0.16639942 0.63268576 # 5 Si7
0.33843200 0.16864004 0.75281894 # 6 Si8
0.02864178 0.36242132 0.97910178 # 7 Si
0.19047778 0.42236525 0.35095945 # 8 Si10
0.04682696 0.52580186 0.11961708 # 9 Si11
0.08389586 0.53955173 0.64574293 # 10 Si15
0.23726067 0.49262643 0.80760749 # 11 Si16
0.12119021 0.68334067 0.98861055 # 12 Si17
0.29084234 0.81097823 0.45081514 # 13 Si18
0.13128994 0.84953699 0.12629792 # 14 Si19
0.27457148 0.93144915 0.28443924 # 15 Si20
0.13606589 0.73513263 0.58159574 # 16 Si21
0.24009341 0.87591727 0.78951134 # 17 Si24
0.44632722 0.03205201 0.03950276 # 18 Si3
0.36537516 0.23357180 0.10174358 # 19 Si27
0.52790519 0.32228849 0.20608393 # 20 Si28
0.43939380 0.20336341 0.43304964 # 21 Si29
0.62502625 0.01409247 0.89780196 # 22 Si30
0.64010135 0.17923070 0.74937177 # 23 Si32
0.36864997 0.40535098 0.97087160 # 24 Si33
0.60602766 0.53387255 0.23146930 # 25 Si36
0.32941610 0.43005107 0.52477316 # 26 Si37
0.54931985 0.64102007 0.73695404 # 27 Si40
0.41255235 0.74731026 0.98448666 # 28 Si41
0.56401384 0.69085917 0.37450859 # 29 Si42
0.44327024 0.85714810 0.17163254 # 30 Si43
0.48249660 0.79477002 0.53432282 # 31 Si45
0.61167302 0.78842925 0.88575228 # 32 Si46
0.90869131 0.13153200 0.28521562 # 33 Si50
0.69064717 0.33467655 0.08256291 # 34 Si51
0.83858331 0.30746920 0.19842325 # 35 Si52
0.75210673 0.04627215 0.40703685 # 36 Si53
0.91699178 0.04448559 0.90238935 # 37 Si54
0.94401848 0.19855471 0.74660740 # 38 Si56
0.57727958 0.48269848 0.97201483 # 39 Si5
0.89995840 0.41411789 0.37290443 # 40 Si58
0.93103803 0.60935524 0.29991507 # 41 Si60
0.71626887 0.40675387 0.48140340 # 42 Si61
0.71119314 0.60402249 0.59104789 # 43 Si63
0.88030484 0.60212393 0.72654231 # 44 Si64
0.78636065 0.75789308 0.01274345 # 45 Si9
0.97459760 0.76043665 0.43722533 # 46 Si66
0.77803575 0.91859891 0.16142355 # 47 Si67
0.98212348 0.88628403 0.25858580 # 48 Si68
0.95506919 0.75982746 0.87407584 # 49 Si70
0.81736781 0.91068011 0.56689210 # 50 Si71
0.08793059 0.93455004 0.05913703 # 51 O1
0.16247923 0.19807656 0.30264391 # 52 O2
0.06338859 0.09611881 0.16155795 # 53 O3
0.22716364 0.36312158 0.25895934 # 54 O4
0.25745815 0.21509712 0.14024470 # 55 O5
0.07997145 0.30045830 0.15585475 # 56 O6
0.18507532 0.09246055 0.46010951 # 57 O7
0.98057573 0.17691845 0.36317995 # 58 O8
0.11396656 0.04016166 0.61801417 # 59 O9
0.31341046 0.13043717 0.86086001 # 60 O10
0.16470076 0.18358279 0.51271025 # 61 O11
0.33459459 0.28431351 0.74338107 # 62 O12
0.45177995 0.12673133 0.72795508 # 63 O13
0.24815690 0.13298794 0.68545843 # 64 O14
0.17393740 0.08670010 0.99364600 # 65 O15
0.97754264 0.07670048 0.99446710 # 66 O16
0.06857381 0.26980196 0.05496749 # 67 O17
0.19591590 0.53897755 0.32609656 # 68 O18
0.99347700 0.43745922 0.06533808 # 69 O19
0.30823219 0.71884685 0.37685311 # 70 O20
0.26520817 0.55676081 0.24878702 # 71 O21
0.20349714 0.71967110 0.35211040 # 72 O22
0.07781003 0.38242707 0.35164800 # 73 O23
0.00792592 0.40109901 0.42768512 # 74 O24
0.17438831 0.28882749 0.65099673 # 75 O25
0.14503675 0.41789051 0.84060087 # 76 O26
0.08160636 0.43163971 0.59806062 # 77 O27
0.25926191 0.59518916 0.87290307 # 78 O28
0.31975767 0.47538459 0.71418246 # 79 O29
0.14978939 0.54104647 0.73826808 # 80 O30
0.14326683 0.36697064 0.93450646 # 81 O31
0.96005405 0.27944920 0.91616506 # 82 O32
0.04592491 0.62202958 0.05176001 # 83 O33
0.23920933 0.89681849 0.39043462 # 84 O34
0.17130844 0.76395698 0.05768237 # 85 O35
0.27449678 0.04750389 0.29430484 # 86 O36
0.38169778 0.89189697 0.26332205 # 87 O37
0.21360793 0.89822571 0.19241516 # 88 O38
0.23776845 0.77821648 0.54827020 # 89 O39
0.05623172 0.78521307 0.51551182 # 90 O40
0.12338431 0.62000015 0.57038985 # 91 O41
0.26542350 0.78608336 0.86544058 # 92 O42
0.12832044 0.75136843 0.70031464 # 93 O43
0.21128182 0.97057849 0.85096641 # 94 O44
0.32802549 0.90138869 0.71900109 # 95 O45
0.13652740 0.85213453 0.73165125 # 96 O46
0.19455113 0.59293262 0.95684854 # 97 O47
0.06557101 0.73666876 0.90073257 # 98 O48
0.48173810 0.95402494 0.11864540 # 99 O49
0.56061649 0.28846414 0.31623014 # 100 O50
0.42425320 0.13463853 0.08954288 # 101 O51
0.40162554 0.48367577 0.36991292 # 102 O52
0.59058067 0.28304260 0.11447279 # 103 O53
0.41852508 0.29499800 0.18643822 # 104 O54
0.52332779 0.19363551 0.34536503 # 105 O55
0.33197088 0.19994733 0.39000678 # 106 O56
0.62568860 0.07719824 0.80220627 # 107 O58
0.46262765 0.31223919 0.48016260 # 108 O59
0.64723733 0.27493286 0.81620920 # 109 O60
0.74994523 0.16210997 0.69516074 # 110 O61
0.53022500 0.19214601 0.68922947 # 111 O62
0.53609926 0.04301510 0.96584096 # 112 O63
0.34636319 0.99870743 0.98801448 # 113 O64
0.36112053 0.29297523 0.00276258 # 114 O65
0.48537233 0.41730518 0.95703655 # 115 O67
0.54014900 0.59982689 0.30390843 # 116 O68
0.62348631 0.58203313 0.12261158 # 117 O69
0.54449552 0.43710985 0.21665246 # 118 O70
0.39760255 0.51195742 0.47204562 # 119 O71
0.24219036 0.40170204 0.45260770 # 120 O72
0.39048206 0.33088953 0.55688251 # 121 O73
0.51798415 0.56320783 0.82364560 # 122 O74
0.27939627 0.48396427 0.61728516 # 123 O75
0.59489327 0.73684288 0.78261295 # 124 O76
0.62140510 0.58759846 0.66442894 # 125 O77
0.44592122 0.66547323 0.67946608 # 126 O78
0.32126899 0.42063025 0.86687481 # 127 O79
0.33147525 0.47682836 0.05405855 # 128 O80
0.54488215 0.79181944 0.31415504 # 129 O82
0.38943159 0.79395091 0.08957120 # 130 O83
0.71771452 0.88589681 0.33247929 # 131 O84
0.69898819 0.86521305 0.23443715 # 132 O85
0.52393125 0.77744203 0.21172491 # 133 O86
0.49682839 0.69849268 0.46884878 # 134 O87
0.39332199 0.85325391 0.48872558 # 135 O88
0.45781447 0.76659022 0.64985405 # 136 O89
0.62332433 0.90238099 0.86784124 # 137 O90
0.52578302 0.76780949 0.96112928 # 138 O95
0.36749922 0.80506091 0.88892559 # 139 O96
0.75307758 0.03089240 0.15025844 # 140 O97
0.82365371 0.20451061 0.24844839 # 141 O98
0.77167612 0.25584259 0.04257022 # 142 O99
0.90859353 0.36830703 0.26654659 # 143 O100
0.86544888 0.29340743 0.08060716 # 144 O101
0.73858219 0.36953775 0.18433795 # 145 O102
0.84956979 0.04776501 0.34179477 # 146 O103
0.66796224 0.97703973 0.35596472 # 147 O104
0.77737264 0.00507923 0.51359749 # 148 O105
0.94849438 0.09859563 0.80593505 # 149 O106
0.70102966 0.14873988 0.42248782 # 150 O107
0.98126396 0.29189161 0.81186003 # 151 O108
0.02976763 0.18772924 0.66671890 # 152 O109
0.82946469 0.23244653 0.71995115 # 153 O110
0.80022704 0.06714209 0.89213115 # 154 O111
0.72616573 0.03876960 0.96133283 # 155 O112
0.67011986 0.42242474 0.00814311 # 156 O113
0.87460614 0.52625322 0.36138963 # 157 O114
0.54593553 0.56654159 0.05341341 # 158 O115
0.00007159 0.66224061 0.37949234 # 159 O116
0.99201984 0.55490338 0.21816810 # 160 O117
0.85652994 0.68740365 0.25946916 # 161 O118
0.82113589 0.36663348 0.44377283 # 162 O119
0.66293086 0.33193370 0.55280883 # 163 O121
0.83804157 0.51134646 0.78902284 # 164 O122
0.73901957 0.50636868 0.53861217 # 165 O123
0.91252654 0.68977858 0.79430943 # 166 O124
0.97196106 0.56362767 0.66872138 # 167 O125
0.79841161 0.64375502 0.65596458 # 168 O126
0.99085324 0.46075967 0.89350398 # 169 O127
0.61102374 0.52926042 0.86603076 # 170 O128
0.78394085 0.66727180 0.08638433 # 171 O129
0.96427156 0.84998666 0.36653432 # 172 O130
0.75980418 0.85937188 0.06249607 # 173 O131
0.95866112 0.10709091 0.17705646 # 174 O132
0.04811634 0.80958471 0.19761988 # 175 O133
0.88547557 0.90043072 0.19726568 # 176 O134
0.87151382 0.74289750 0.49637788 # 177 O135
0.67405739 0.66539710 0.41603042 # 178 O136
0.67837028 0.69280363 0.51768088 # 179 O137
0.93493631 0.86751332 0.82162986 # 180 O138
0.81138043 0.82794987 0.48130061 # 181 O139
0.95706160 0.93202915 0.90249868 # 182 O140
0.94922478 0.98118669 0.66753504 # 183 O141
0.93523082 0.91325094 0.58858233 # 184 O142
0.89431563 0.75870615 0.97198824 # 185 O143
0.70977681 0.74168495 0.92671138 # 186 O144
0.45817196 0.12224094 0.49744235 # 187 H4
0.38521876 0.64662079 0.98612667 # 188 H3
0.56532958 0.85940150 0.53981514 # 189 H2
0.76402384 0.89306444 0.65612561 # 190 H
0.32524586 0.55209399 0.28669997 # 191 H5
0.18948926 0.64960846 0.35576209 # 192 H11
0.13327572 0.01663425 0.55440524 # 193 H7
0.95597171 0.93573871 0.72291222 # 194 H15
0.37255670 0.84970441 0.70164300 # 195 H9
0.03522034 0.97609496 0.26944661 # 196 H19
0.14608013 0.49985000 0.14135770 # 197 H12
0.74627738 0.05544794 0.08477606 # 198 H13
0.45961300 0.51999652 0.35124021 # 199 H14
0.04803061 0.45617551 0.84699333 # 200 H28
0.23786228 0.30030021 0.68532474 # 201 H16
0.27775416 0.51925625 0.03827082 # 202 H32
0.70450708 0.53208013 0.26694951 # 203 H17
0.65555125 0.42891323 0.39784593 # 204 H35
0.64457496 0.16249540 0.38334680 # 205 H20
0.59591671 0.31886118 0.53709537 # 206 H40
0.04599434 0.19460724 0.34464201 # 207 H21
0.04588649 0.01785830 0.63663203 # 208 H43
0.77073275 0.51038676 0.80696495 # 209 H23
0.92892231 0.45729850 0.85914722 # 210 H47
0.59101921 0.31573878 0.81223314 # 211 H25
0.33884984 0.33335677 0.79607652 # 212 H51
0.83160400 0.67973889 0.19325222 # 213 H27
0.72061221 0.63640459 0.09525301 # 214 H55
0.13410075 0.34878540 0.63201606 # 215 H29
0.04939347 0.41987805 0.53571111 # 216 H59