22 Energy = -0.10883594 a.u. #Cluster: 1 O -2.30907426 1.90383755 0.11387296 O -3.45480147 -0.44055093 0.36104253 N 2.77267885 -0.96478562 1.58446400 C 2.07621180 -0.16264222 -0.71994936 C 0.60877231 -0.26061968 -0.44769346 C 2.85343423 0.11764293 0.58971418 C -0.14688774 0.91235370 -0.30628819 C -0.00164062 -1.50369949 -0.31682544 C -1.50460981 0.82188840 -0.03385872 C -1.36932618 -1.60071023 -0.04035250 C -2.12185400 -0.44344586 0.10115601 H 2.28543591 0.64238200 -1.45260305 H 2.45980933 -1.08642084 -1.19455100 H 3.92651724 0.29482151 0.35801043 H 2.47294894 1.04941409 1.06462137 H 0.33137709 1.88170712 -0.40910833 H 0.58040604 -2.41461802 -0.43481441 H -1.83438827 -2.57800752 0.05803803 H 3.13334058 -1.83317003 1.22568049 H 1.82255188 -1.11559879 1.88951777 H -1.79902396 2.74722862 0.01187967 H -3.80099226 -1.36391720 0.45491869 22 Energy = -0.10848061 a.u. #Cluster: 2 O -2.47455224 1.86708010 -0.16509991 O -3.43200969 -0.49829494 0.43266985 N 2.62628920 1.04905553 1.49045461 C 2.05691071 0.03588604 -0.76461490 C 0.60257745 -0.12363417 -0.45276561 C 2.90447530 -0.03084921 0.52927802 C -0.24053330 0.99609428 -0.46484858 C 0.09027367 -1.37944148 -0.13966782 C -1.58755488 0.84106096 -0.16431023 C -1.26346749 -1.54036957 0.16773436 C -2.10372955 -0.43501057 0.15588290 H 2.25548670 0.98693749 -1.29489549 H 2.39104930 -0.75655386 -1.46478628 H 2.73419117 -1.00209774 1.04518668 H 3.98563225 0.00557430 0.27158233 H 0.15537408 1.97475225 -0.71653412 H 0.74532812 -2.24821159 -0.13152034 H -1.65106840 -2.52601694 0.41125183 H 1.67359106 1.01283783 1.82078198 H 2.79100939 1.95853697 1.09216108 H -2.03157914 2.72663359 -0.38069112 H -3.70656780 -1.42641602 0.64335011 22 Energy = -0.10808983 a.u. #Cluster: 3 O -2.34444893 1.89718026 0.06136974 O -3.42760251 -0.46349592 0.42074621 N 4.31715146 0.16310837 0.38077889 C 2.07667565 -0.09868385 -0.76134219 C 0.61648454 -0.21759661 -0.46116010 C 2.86190924 0.05144658 0.56442268 C -0.16488008 0.94143629 -0.35527414 C 0.04010223 -1.46937847 -0.26932482 C -1.51656133 0.82892525 -0.05884403 C -1.32047747 -1.58814123 0.02976087 C -2.09966542 -0.44399063 0.13521476 H 2.27770695 0.76622213 -1.42256339 H 2.44071121 -0.98319820 -1.31924420 H 2.50919010 0.95087964 1.11635966 H 2.65900336 -0.81926679 1.22704587 H 0.28682597 1.91751877 -0.50339841 H 0.64730221 -2.36841419 -0.34998582 H -1.75960628 -2.57086617 0.17695643 H 4.57272136 0.97297695 -0.15815928 H 4.71105446 -0.65465670 -0.05257425 H -1.85828661 2.74675008 -0.09102524 H -3.75360804 -1.39079507 0.53898348 22 Energy = -0.10576373 a.u. #Cluster: 4 O -2.42715096 1.87465337 -0.04592264 O -3.44593765 -0.50336392 0.38937218 N 2.69160358 1.25014605 1.32859208 C 2.07012777 -0.01526269 -0.70231263 C 0.60737102 -0.16587221 -0.42132871 C 2.88295180 -0.03060975 0.60884052 C -0.21018884 0.97135906 -0.37028467 C 0.06322154 -1.42727730 -0.19780699 C -1.56391562 0.82928314 -0.09676152 C -1.29847261 -1.57602438 0.07988702 C -2.11316500 -0.45262735 0.13057747 H 2.27986343 0.93009206 -1.24777711 H 2.42775752 -0.82342332 -1.37037182 H 2.60226471 -0.91577850 1.21840950 H 3.96745140 -0.12128802 0.37543001 H 0.21619559 1.95492161 -0.55173137 H 0.69788831 -2.30965492 -0.23933369 H -1.71200278 -2.56587490 0.25222089 H 3.11864840 1.22977064 2.23981282 H 1.71260814 1.46793153 1.43530966 H -1.95325368 2.73842025 -0.15105189 H -3.74757985 -1.43833359 0.51351759 22 Energy = -0.10571588 a.u. #Cluster: 5 O -2.33610164 1.91522806 0.04388895 O -3.47227370 -0.42848744 0.34405705 N 2.88917406 -1.05060725 1.49278214 C 2.07419280 -0.15080649 -0.66212225 C 0.60189276 -0.24761817 -0.40940528 C 2.83318731 0.16254305 0.64394892 C -0.16230723 0.92427801 -0.31522197 C -0.00393728 -1.49015016 -0.25238551 C -1.52395306 0.83341274 -0.06168785 C -1.37468481 -1.58740741 0.00567609 C -2.13566834 -0.43053638 0.10175940 H 2.29430473 0.62908853 -1.41728315 H 2.47071420 -1.09554725 -1.09348625 H 3.88255418 0.44878723 0.40718709 H 2.36352439 1.02828879 1.15745566 H 0.31120153 1.89288143 -0.44166484 H 0.58934237 -2.40000781 -0.33288004 H -1.83574445 -2.56398055 0.12592230 H 1.97592580 -1.46505205 1.60232939 H 3.26163501 -0.84661905 2.40535796 H -1.83137904 2.75700896 -0.08978648 H -3.81487023 -1.35083339 0.45644924 22 Energy = -0.10518859 a.u. #Cluster: 6 O -2.37984381 1.88669853 0.02284405 O -3.42644150 -0.48875945 0.39719016 N 4.31297982 0.07540933 0.31673378 C 2.08710211 -0.04384773 -0.71537127 C 0.62520549 -0.18147656 -0.43133580 C 2.86371038 0.05705683 0.61441271 C -0.17785520 0.96427803 -0.35083280 C 0.06740291 -1.44104108 -0.23315026 C -1.53183314 0.83127499 -0.07256349 C -1.29460480 -1.58057660 0.04813503 C -2.09510032 -0.44880367 0.12903054 H 2.29590724 0.83783203 -1.35107241 H 2.47052972 -0.91038669 -1.29624062 H 2.52320455 0.94507499 1.18744999 H 2.65093676 -0.83767031 1.24143901 H 0.25798351 1.94629933 -0.50583671 H 0.69367756 -2.32915277 -0.29584681 H -1.71912799 -2.56871099 0.20079646 H 4.86828631 0.03890086 1.15468480 H 4.57853387 0.88639857 -0.21560939 H -1.90680164 2.74200303 -0.13678767 H -3.73790286 -1.42044191 0.51871729 22 Energy = -0.10517150 a.u. #Cluster: 7 O -2.30242209 1.90976488 0.08275554 O -3.43670475 -0.43546698 0.38783016 N 4.29015163 0.23035202 0.30206348 C 2.08906525 -0.15736516 -0.71680118 C 0.62338747 -0.25509523 -0.43599697 C 2.85703912 0.02743641 0.60897389 C -0.13689067 0.91697845 -0.32130422 C 0.01950996 -1.49814268 -0.27455829 C -1.49435625 0.82682430 -0.04529241 C -1.34723309 -1.59476771 0.00388964 C -2.10490304 -0.43708204 0.11920159 H 2.31699031 0.69432269 -1.39322002 H 2.45941588 -1.05209843 -1.25332427 H 2.48455707 0.93435567 1.13568588 H 2.67137075 -0.83817504 1.27928644 H 0.33834034 1.88565903 -0.44817488 H 0.60952979 -2.40748642 -0.36430865 H -1.80794739 -2.57060825 0.12768213 H 4.69929044 -0.57535098 -0.13960019 H 4.82154949 0.45598635 1.12581126 H -1.79809408 2.75124872 -0.05396309 H -3.78262750 -1.35802344 0.48250589 22 Energy = -0.10452576 a.u. #Cluster: 8 O -2.24986613 1.83185122 0.44289078 O -3.52462049 -0.45331552 0.13488118 N 2.82913689 1.79088865 0.67082716 C 2.08993923 -0.29763990 -0.44842768 C 0.60114919 -0.36795548 -0.29016903 C 2.76989562 0.31506673 0.79509111 C -0.11415268 0.79846260 0.00849795 C -0.07175445 -1.57575348 -0.44994891 C -1.49280293 0.74254562 0.14868747 C -1.46230198 -1.63788645 -0.31467483 C -2.17395071 -0.48331261 -0.01607752 H 2.33274388 0.30237069 -1.35186043 H 2.51649455 -1.30193593 -0.63959376 H 2.17691436 0.07287911 1.70638361 H 3.77385404 -0.13931787 0.93271294 H 0.42696245 1.73875868 0.14068854 H 0.47853367 -2.48420303 -0.68153502 H -1.97717096 -2.58517779 -0.44225773 H 3.37579945 2.07864573 -0.12351128 H 3.20884207 2.21824181 1.49922407 H -1.67597274 2.63073932 0.56845913 H -3.91789145 -1.35066909 -0.00155024 22 Energy = -0.10321918 a.u. #Cluster: 9 O -2.56091317 1.84685771 -0.48832061 O -3.50896494 -0.48283983 0.26515996 N 3.20389877 -1.58744549 0.94377480 C 2.06142831 0.14325221 -0.41108776 C 0.58560368 -0.03516977 -0.22149482 C 2.83812401 -0.15338896 0.89078204 C -0.28306721 1.03795319 -0.45491178 C 0.07930512 -1.26987518 0.17852247 C -1.65073367 0.85853357 -0.28390018 C -1.29287825 -1.45475262 0.35236334 C -2.15985613 -0.39291424 0.12119967 H 2.29989068 1.16832672 -0.75476557 H 2.41044984 -0.52885863 -1.22460159 H 3.72323674 0.51389129 0.95824974 H 2.19558895 0.07088467 1.77234505 H 0.10682322 2.00178732 -0.76550868 H 0.77091278 -2.09569900 0.36918274 H -1.67497087 -2.42144921 0.66681476 H 3.60007209 -1.84039269 1.83306222 H 3.84842938 -1.83934374 0.21392768 H -2.11923352 2.68555264 -0.77162468 H -3.77578905 -1.39268619 0.54772221

map