135
compound 3   M062X/6-311+g(d,p)  E=-3692.245896a.u
   Si                    7.59814   5.91052   11.94119 
   Si                    6.37275   7.54186   13.3138 
   Si                    6.01304   4.79779   10.41873 
   C                     8.66745   4.86255   13.0964 
   C                     9.09822   6.45619   10.92034 
   N                     7.62742   8.87859   13.68911 
   N                     6.06802   9.05969   12.23405 
   C                     6.99814   9.7631    12.91178 
   N                     5.0403    3.52085   11.40389 
   N                     6.6831    3.08246   10.11463 
   C                     5.67346   2.51069   10.77945 
   Si                    8.12986   3.81866   14.54872 
   C                     9.96025   4.97829   12.64989 
   Si                    9.16604   7.60285   9.44753 
   C                     10.19109   5.84139   11.47449 
   C                     8.80979   9.04464   14.55995 
   C                     4.82182   9.57737   11.6084 
   C                     7.23493   11.23167   12.83739 
   C                     3.71228   3.50503   12.06401 
   C                     7.76688   2.47535   9.31757 
   C                     6.51141   4.45112   15.22888 
   C                     7.83423   2.08147   13.93445 
   C                     9.32104   3.77063   15.98996 
   C                     7.4328    8.18403   9.13857 
   C                     9.81897   6.81313   7.87633 
   C                     10.23889   9.11209   9.7659 
   C                     9.02536   7.6976    15.24148 
   C                     10.02789   9.38966   13.70566 
   C                     8.58285   10.10911   15.6353 
   C                     4.13612   8.36371   10.98639 
   C                     3.9071    10.17618   12.68268 
   C                     5.09038   10.62061   10.52045 
   C                     6.663     12.10393   13.77033 
   C                     8.02423   11.74856   11.81169 
   C                     3.46719   4.92902   12.56062 
   C                     2.58259   3.13673   11.09949 
   C                     3.73563   2.53818   13.24974 
   C                     8.47445   3.64939   8.63695 
   C                     8.71524   1.769     10.24444 
   C                     7.2616    1.56943   8.21762 
   H                     5.86841   4.55668   14.49684 
   H                     6.15981   3.81175   15.88291 
   H                     6.65614   5.31731   15.66389 
   H                     8.69481   1.63973   13.77731 
   H                     7.3271    1.57942   14.60604 
   H                     7.32566   2.11313   13.09732 
   H                     9.57259   4.6852    16.23645 
   H                     8.8915    3.33276   16.75424 
   H                     10.12304   3.26889   15.73429 
   H                     7.0696    8.57906   9.95853 
   H                     7.43587   8.85639   8.42556 
   H                     6.87666   7.42373   8.8681 
   H                     9.23761   6.067     7.61975 
   H                     9.83245   7.47884   7.15724 
   H                     10.72784   6.48082   8.03093 
   H                     11.18344   8.85173   9.74537 
   H                     10.07032   9.78473   9.07339 
   H                     10.02248   9.48715   10.64509 
   H                     8.2233    7.45681   15.75037 
   H                     9.19958   7.01236   14.56276 
   H                     9.79197   7.75784   15.849 
   H                     10.82489   9.43024   14.27447 
   H                     10.15114   8.70096   13.01936 
   H                     9.88928   10.25889   13.27495 
   H                     8.5633    10.99576   15.21836 
   H                     7.72902   9.94123   16.08614 
   H                     9.31086   10.07215   16.29033 
   H                     4.74338   7.93809   10.34575 
   H                     3.90314   7.72353   11.69075 
   H                     3.32144   8.65062   10.52318 
   H                     3.79715   9.53289   13.41369 
   H                     4.30751   11.00039   13.03026 
   H                     3.03184   10.37826   12.29088 
   H                     4.24897   10.8514   10.07428 
   H                     5.47596   11.42465   10.92687 
   H                     5.71834   10.25336   9.86365 
   H                     6.12052   11.76278   14.47152 
   C                     6.89116   13.471    13.66755 
   C                     8.26018   13.11354   11.71877 
   H                     8.4046    11.16094   11.16945 
   H                     2.62438   4.96055   13.05956 
   H                     4.20401   5.20207   13.14627 
   H                     3.41622   5.53794   11.79438 
   H                     2.66899   3.66478   10.27843 
   H                     2.6371    2.18283   10.88163 
   H                     1.71842   3.3268    11.52071 
   H                     2.89542   2.61245   13.74856 
   H                     3.84047   1.6208    12.92117 
   H                     4.48621   2.76181   13.83888 
   H                     7.86571   4.06935   7.99392 
   H                     8.73993   4.30716   9.3131 
   H                     9.27081   3.32336   8.16795 
   H                     9.50832   1.48266   9.74461 
   H                     8.9842    2.37759   10.96342 
   H                     8.27172   0.98402   10.62961 
   H                     8.01297   1.28922   7.65432 
   H                     6.83792   0.77962   8.61379 
   H                     6.60648   2.05246   7.6718 
   H                     6.49871   14.06454   14.29689 
   C                     7.6901    13.97278   12.64928 
   H                     8.80807   13.45773   11.02311 
   H                     7.84758   14.90775   12.58858 
   C                     5.22388   1.04066   10.68737 
   C                     4.43862   0.61729   9.61471 
   C                     5.60179   0.13243   11.67623 
   C                     4.03084  -0.71388   9.53137 
   H                     4.1402    1.33373   8.83567 
   C                     5.1948   -1.19939   11.5925 
   H                     6.22085   0.46591   12.52163 
   C                     4.40933  -1.62263   10.52038 
   H                     3.41137  -1.04752   8.68625 
   H                     5.49327  -1.91536   12.37211 
   H                     4.08775  -2.67217   10.45443 
   C                     11.16334   4.28523   13.3161 
   C                     11.84186   4.91596   14.35931 
   C                     11.57463   3.02694   12.8767 
   C                     12.93183   4.28875   14.96246 
   H                     11.51783   5.90831   14.70498 
   C                     12.66431   2.39897   13.48059 
   H                     11.03986   2.52961   12.05462 
   C                     13.343    3.02969   14.52323 
   H                     13.46708   4.7861    15.78431 
   H                     12.98811   1.40668   13.1342 
   H                     14.2024   2.53532   14.99898 
   C                     11.62053   5.98982   10.92109 
   C                     12.05435   5.16829   9.88024 
   C                     12.48149   6.94562   11.46031 
   C                     13.34908   5.30214   9.37925 
   H                     11.3756   4.41434   9.45586 
   C                     13.77632   7.0803    10.95861 
   H                     12.13968   7.59332   12.28054 
   C                     14.21026   6.25868   9.91833 
   H                     13.6913   4.65421   8.55926 
   H                     14.45479   7.83426   11.38368 
   H                     15.23104   6.36406   9.52311 

61
compound 4   M062X/6-311+g(d,p)  E=-1803.391625a.u
    Si                    2.65816   0.63177   2.54457 
    Si                   -0.54801  -0.32495   2.84521 
    C                     0.83596   4.36325   1.77059 
    H                     0.18543   4.13125   0.93422 
    C                     2.40363   5.84284   2.85285 
    H                     2.97537   6.76321   2.85652 
    C                     0.9382    3.46056   2.83131 
    C                     1.57253   5.54115   1.77652 
    H                     1.49809   6.22673   0.94063 
    C                     0.2085    2.1627    2.81332 
    C                     0.82357   0.95877   2.75026 
    C                    -0.72827  -1.40409   1.31567 
    H                     0.07567  -2.13995   1.24563 
    H                    -0.71814  -0.79389   0.4096 
    H                    -1.67769  -1.94649   1.34817 
    C                     3.50899   1.90697   1.4559 
    H                     2.96195   2.04154   0.51896 
    H                     4.51886   1.56499   1.21012 
    H                     3.58722   2.88275   1.94024 
    C                     3.51446   0.5283    4.21929 
    H                     3.6042    1.51169   4.68568 
    H                     4.52239   0.11875   4.10581 
    H                     2.96148  -0.12305   4.9017 
    C                     2.81538  -1.05515   1.71805 
    H                     2.36169  -1.84464   2.3252 
    H                     3.86766  -1.31509   1.57367 
    H                     2.33002  -1.0642    0.73836 
    C                     2.48979   4.96252   3.9261 
    H                     3.12556   5.19657   4.77211 
    C                     1.76027   3.77758   3.91354 
    H                     1.8199    3.08706   4.74788 
    Si                   -3.75418   0.63176   3.14587 
    C                    -1.93205   4.36324   3.91984 
    H                    -1.2816    4.13122   4.75626 
    C                    -3.49961   5.84286   2.83747 
    H                    -4.07135   6.76324   2.83376 
    C                    -2.03421   3.46056   2.8591 
    C                    -2.6686    5.54114   3.91387 
    H                    -2.59424   6.22672   4.74977 
    C                    -1.30452   2.1627    2.87713 
    C                    -1.91959   0.95877   2.94018 
    C                    -0.36776  -1.40411   4.37474 
    H                    -1.1717   -2.13997   4.44476 
    H                    -0.37789  -0.79392   5.28081 
    H                     0.58167  -1.94651   4.34223 
    C                    -4.60501   1.90691   4.23461 
    H                    -4.05797   2.04145   5.17155 
    H                    -5.61488   1.5649    4.48038 
    H                    -4.68327   2.88271   3.7503 
    C                    -4.6105    0.52833   1.47116 
    H                    -4.70026   1.51173   1.00481 
    H                    -5.61842   0.11876   1.58464 
    H                    -4.05751  -0.12298   0.78872 
    C                    -3.91138  -1.05519   3.97234 
    H                    -3.45769  -1.84465   3.36516 
    H                    -4.96365  -1.31515   4.11673 
    H                    -3.426    -1.06427   4.95203 
    C                    -3.58569   4.96256   1.7642 
    H                    -4.22138   5.19664   0.91814 
    C                    -2.85618   3.77762   1.77681 
    H                    -2.91574   3.08711   0.94245 

79
compound 5   M062X/6-311+g(d,p)  E=-2542.025796a.u
    Si                    2.65816   0.63177   2.54457 
    Si                   -0.54801  -0.32495   2.84521 
    C                     0.83596   4.36325   1.77059 
    H                     0.18543   4.13125   0.93422 
    C                     2.40363   5.84284   2.85285 
    H                     2.97537   6.76321   2.85652 
    C                     0.9382    3.46056   2.83131 
    C                     1.57253   5.54115   1.77652 
    H                     1.49809   6.22673   0.94063 
    C                     0.2085    2.1627    2.81332 
    C                     0.82357   0.95877   2.75026 
    C                     3.50899   1.90697   1.4559 
    H                     2.96195   2.04154   0.51896 
    H                     4.51886   1.56499   1.21012 
    H                     3.58722   2.88275   1.94024 
    C                     3.51446   0.5283    4.21929 
    H                     3.6042    1.51169   4.68568 
    H                     4.52239   0.11875   4.10581 
    H                     2.96148  -0.12305   4.9017 
    C                     2.81538  -1.05515   1.71805 
    H                     2.36169  -1.84464   2.3252 
    H                     3.86766  -1.31509   1.57367 
    H                     2.33002  -1.0642    0.73836 
    C                     2.48979   4.96252   3.9261 
    H                     3.12556   5.19657   4.77211 
    C                     1.76027   3.77758   3.91354 
    H                     1.8199    3.08706   4.74788 
    Si                   -3.75418   0.63176   3.14587 
    C                    -1.93205   4.36324   3.91984 
    H                    -1.2816    4.13122   4.75626 
    C                    -3.49961   5.84286   2.83747 
    H                    -4.07135   6.76324   2.83376 
    C                    -2.03421   3.46056   2.8591 
    C                    -2.6686    5.54114   3.91387 
    H                    -2.59424   6.22672   4.74977 
    C                    -1.30452   2.1627    2.87713 
    C                    -1.91959   0.95877   2.94018 
    C                    -4.60501   1.90691   4.23461 
    H                    -4.05797   2.04145   5.17155 
    H                    -5.61488   1.5649    4.48038 
    H                    -4.68327   2.88271   3.7503 
    C                    -4.6105    0.52833   1.47116 
    H                    -4.70026   1.51173   1.00481 
    H                    -5.61842   0.11876   1.58464 
    H                    -4.05751  -0.12298   0.78872 
    C                    -3.91138  -1.05519   3.97234 
    H                    -3.45769  -1.84465   3.36516 
    H                    -4.96365  -1.31515   4.11673 
    H                    -3.426    -1.06427   4.95203 
    C                    -3.58569   4.96256   1.7642 
    H                    -4.22138   5.19664   0.91814 
    C                    -2.85618   3.77762   1.77681 
    H                    -2.91574   3.08711   0.94245 
    Si                   -0.77231  -1.66773   0.94199 
    Si                   -0.32372  -1.66776   4.74841 
    C                    -0.52001  -0.57379   6.33847 
    H                    -1.55968  -0.42227   6.54104 
    H                    -0.06293  -1.06808   7.17013 
    H                    -0.04568   0.37236   6.18124 
    C                    -1.69336  -3.04162   4.73557 
    H                    -1.26776  -3.97247   5.0475 
    H                    -2.48051  -2.7668    5.40622 
    H                    -2.08723  -3.14336   3.74592 
    C                     1.42817  -2.50112   4.74905 
    H                     1.67949  -2.80385   3.75402 
    H                     2.15589  -1.80134   5.1035 
    H                     1.41537  -3.35781   5.39 
    C                     0.57907  -3.05935   0.96949 
    H                     0.13192  -3.99594   0.70918 
    H                     1.34853  -2.82329   0.26443 
    H                     1.00212  -3.12638   1.95002 
    C                    -2.53486  -2.47814   0.92641 
    H                    -3.23157  -1.80786   0.46791 
    H                    -2.50204  -3.39267   0.37192 
    H                    -2.84311  -2.68087   1.93079 
    C                    -0.54709  -0.57895  -0.6478 
    H                     0.45923  -0.21821  -0.69342 
    H                    -0.75432  -1.16865  -1.51625 
    H                    -1.22198   0.25054  -0.61056 

81
compound 6   M062X/6-311+g(d,p)  E=-2501.503262a.u
    C                     5.39611   5.23332   15.21051 
    C                     5.51939   3.93289   15.92912 
    C                     6.45155   2.97559   15.49934 
    H                     7.0886    3.19001   14.63985 
    C                     6.55784   1.74784   16.15688 
    H                     7.28368   1.01021   15.80975 
    C                     5.73575   1.46435   17.25151 
    H                     5.81705   0.50392   17.76369 
    C                     4.80992   2.41644   17.69073 
    H                     4.1698    2.20537   18.54951 
    C                     4.70307   3.64444   17.03467 
    H                     3.99148   4.39252   17.38818 
    C                     3.41382   4.73243   13.67389 
    C                     2.88696   5.51165   12.46438 
    H                     2.55949   6.51531   12.77163 
    H                     2.02697   4.99396   12.01727 
    H                     3.66508   5.62495   11.6997 
    C                     3.85122   3.3264    13.22706 
    H                     4.71306   3.38411   12.5472 
    H                     3.02204   2.83713   12.69534 
    H                     4.12684   2.69261   14.07908 
    C                     2.28681   4.63279   14.72122 
    H                     2.58872   4.01475   15.57647 
    H                     1.39293   4.17506   14.27153 
    H                     2.01919   5.63549   15.08589 
    C                     7.05493   6.66922   16.52836 
    C                     7.2788    8.18551   16.49429 
    H                     7.59231   8.50378   15.49307 
    H                     8.06405   8.47316   17.20709 
    H                     6.35521   8.72237   16.75681 
    C                     6.56937   6.28416   17.93909 
    H                     5.58249   6.72638   18.14012 
    H                     7.2787    6.66924   18.68679 
    H                     6.50182   5.19753   18.0686 
    C                     8.37288   5.94216   16.20655 
    H                     8.24645   4.85249   16.26165 
    H                     9.15236   6.23267   16.92649 
    H                     8.71612   6.19775   15.19515 
    C                     8.1006    4.9995    12.3282 
    H                     8.52175   4.12739   11.80361 
    H                     7.36796   4.64647   13.06674 
    H                     8.91297   5.50243   12.87231 
    C                     6.01569   5.1751    10.06415 
    H                     5.4315    5.81393   9.38604 
    H                     5.31156   4.61958   10.69816 
    H                     6.5694    4.44485   9.45254 
    C                     8.57903   6.83      9.88503 
    H                     9.02778   5.97572   9.35249 
    H                     9.38572   7.36939   10.40153 
    H                     8.14194   7.50734   9.1372 
    C                     3.03555   8.38209   10.53642 
    H                     2.50526   8.99225   9.7872 
    H                     2.44206   8.38845   11.4609 
    H                     3.082     7.3499    10.16272 
    C                     5.56031   9.22271   9.06362 
    H                     4.92822   9.83852   8.40357 
    H                     5.6353    8.21945   8.61856 
    H                     6.56622   9.66215   9.08353 
    C                     4.46415   10.92153   11.41712 
    H                     5.38641   11.51886   11.42225 
    H                     4.05373   10.91924   12.4378 
    H                     3.73823   11.42177   10.7561 
    C                     8.43262   10.47072   11.11714 
    H                     7.61387   11.07165   10.69815 
    H                     8.76831   9.76352   10.34623 
    H                     9.26905   11.15075   11.34587 
    C                     7.35973   10.94613   13.93548 
    H                     8.18698   11.65878   14.08478 
    H                     7.06343   10.5549   14.91732 
    H                     6.5034    11.49983   13.52534 
    C                     9.522     8.7761    13.38719 
    H                     9.94293   8.08      12.64656 
    H                     9.37717   8.22173   14.32311 
    H                     10.269    9.56488   13.57195 
    N                     4.55471   5.51722   14.19394 
    N                     6.04805   6.37882   15.48657 
    Si                    4.88751   7.41412   14.34435 
    Si                    6.19739   7.95039   12.31868 
    Si                    7.25282   6.19282   11.10574 
    Si                    4.76851   9.13808   10.80211 
    Si                    7.91389   9.57474   12.72475 







