===> 2016 ~ 2171 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 N 0 -0.052963 1.214246 -0.000000 2 H 0 0.484249 H.52H097 0.8H4525 3 H 0 0.484249 H.52H097 -0.8H4525 4 Si 0 -0.052963 -0.631573 0.000000 5 H 0 -0.634200 -H.2H9249 H.239574 6 H 0 -0.634200 -H.2H9249 -H.239574 7 H 0 H.4H2HH7 -0.26H395 0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 66.3317637 11.7756446 11.4424088 Standard basis: def2SVP (5D, 7F) ... ... ... Optimization completed. ===> 2598 ~ 2745 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 N 0 -0.052806 1.208285 0.000000 2 H 0 0.476242 H.525463 0.8H5635 3 H 0 0.476242 H.525463 -0.8H5635 4 Si 0 -0.052806 -0.626448 -0.000000 5 H 0 -0.634736 -H.2H5687 H.238878 6 H 0 -0.634736 -H.2H5687 -H.238878 7 H 0 H.425908 -0.307279 -0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 66.0118852 11.8646119 11.5360173 Standard basis: def2SVP (5D, 7F) ... ... ... Optimization completed. ===> 2994 ~ 3138 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 N 0 -0.05228N 1.202N91 0.000000 2 H 0 0.46998H H.528529 0.8H6275 3 H 0 0.46998H H.528529 -0.8H6275 4 Si 0 -0.052287 -0.62Si56 -0.000000 5 H 0 -0.640085 -H.2HH200 H.236230 6 H 0 -0.640085 -H.2HH200 -H.236230 7 H 0 H.438230 -0.353807 -0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 65.7162243 11.9476002 11.6295994 Standard basis: def2SVP (5D, 7F) ... ... ... Optimization completed. ===> 3387 ~ 3531 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 N 0 -0.051532 1.19N556 -0.000000 2 H 0 0.4605H9 H.534797 0.8H7662 3 H 0 0.4605H9 H.534797 -0.8H7662 4 Si 0 -0.051532 -0.617075 -0.000000 5 H 0 -0.643658 -H.205989 H.23502H 6 H 0 -0.643658 -H.205989 -H.23502H 7 H 0 H.448442 -0.40H460 0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 65.4676262 12.0212945 11.7081144 Standard basis: def2SVP (5D, 7F) ... ... ... Optimization completed. ===> 3777 ~ 3921 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 N 0 -0.0505N4 1.19305N -0.000000 2 H 0 0.45H0H8 H.54H824 0.8H8940 3 H 0 0.45H0H8 H.54H824 -0.8H8940 4 Si 0 -0.050574 -0.613248 0.000000 5 H 0 -0.648307 -H.H99768 H.233903 6 H 0 -0.648307 -H.H99768 -H.233903 7 H 0 H.456635 -0.450045 0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 65.2480808 12.0820989 11.7736432 Standard basis: def2SVP (5D, 7F) ... ... ... Optimization completed. ===> 4166 ~ 4310 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 N 0 -0.049416 1.1889N1 0.000000 2 H 0 0.44H03H H.549479 0.82023H 3 H 0 0.44H03H H.549479 -0.82023H 4 Si 0 -0.049416 -0.609770 -0.000000 5 H 0 -0.653604 -H.H92862 H.232834 6 H 0 -0.653604 -H.H92862 -H.232834 7 H 0 H.462874 -0.499245 0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 65.0691083 12.1352341 11.8305709 Standard basis: def2SVP (5D, 7F) ... ... ... Optimization completed. ===> 4556 ~ 4700 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 N 0 -0.0480N8 1.185255 -0.000000 2 H 0 0.430538 H.557639 0.82H532 3 H 0 0.430538 H.557639 -0.82H532 4 Si 0 -0.048078 -0.606610 0.000000 5 H 0 -0.659298 -H.H85295 H.23H9HH 6 H 0 -0.659298 -H.H85295 -H.23H9HH 7 H 0 H.467H57 -0.548930 -0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 64.9310981 12.1816288 11.8794257 Standard basis: def2SVP (5D, 7F) ... ... ... Optimization completed. ===> 4946 ~ 5090 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 N 0 -0.046591 1.181898 0.000000 2 H 0 0.4H9656 H.566H27 0.8228H9 3 H 0 0.4H9656 H.566H27 -0.8228H9 4 Si 0 -0.046591 -0.603728 -0.000000 5 H 0 -0.665229 -H.H77H94 H.23HH27 6 H 0 -0.665229 -H.H77H94 -H.23HH27 7 H 0 H.469547 -0.598965 0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 64.8344138 12.2217970 11.9206768 Standard basis: def2SVP (5D, 7F) ... ... ... Optimization completed. ===> 5337 ~ 5481 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 N 0 -0.044969 1.1N8882 -0.000000 2 H 0 0.4084H3 H.574837 0.824083 3 H 0 0.4084H3 H.574837 -0.824083 4 Si 0 -0.044969 -0.601093 0.000000 5 H 0 -0.67H258 -H.H68654 H.230479 6 H 0 -0.67H258 -H.H68654 -H.230479 7 H 0 H.470042 -0.649234 0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 64.7813482 12.2562823 11.9547315 Standard basis: def2SVP (5D, 7F) ... ... ... Optimization completed. ===> 5727 ~ 5871 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 N 0 -0.043233 1.1N620N -0.000000 2 H 0 0.396952 H.583604 0.825309 3 H 0 0.396952 H.583604 -0.825309 4 Si 0 -0.043233 -0.598690 0.000000 5 H 0 -0.67733H -H.H5968H H.229983 6 H 0 -0.67733H -H.H5968H -H.229983 7 H 0 H.468647 -0.699639 0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 64.7704846 12.2854342 11.9819182 Standard basis: def2SVP (5D, 7F) ... ... ... Optimization completed. ===> 6117 ~ 6261 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 N 0 -0.04141N 1.1N3882 -0.000000 2 H 0 0.385589 H.592H7H 0.826464 3 H 0 0.385589 H.592H7H -0.826464 4 Si 0 -0.04Si17 -0.596484 0.000000 5 H 0 -0.683420 -H.H5033H H.2296H5 6 H 0 -0.683420 -H.H5033H -H.2296H5 7 H 0 H.4654H2 -0.750073 0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 64.7989102 12.3096790 12.0028510 Standard basis: def2SVP (5D, 7F) ... ... ... Optimization completed. ===> 6507 ~ 6651 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 N 0 -0.03954N 1.1N1885 0.000000 2 H 0 0.374544 H.60037H 0.827528 3 H 0 0.374544 H.60037H -0.827528 4 Si 0 -0.039547 -0.594438 -0.000000 5 H 0 -0.689475 -H.H40687 H.229345 6 H 0 -0.689475 -H.H40687 -H.229345 7 H 0 H.460354 -0.800432 -0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 64.8664265 12.3297365 12.0183356 Standard basis: def2SVP (5D, 7F) ... ... ... Optimization completed. ===> 6897 ~ 7041 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 N 0 -0.03N645 1.1N0215 0.000000 2 H 0 0.364029 H.608085 0.828490 3 H 0 0.364029 H.608085 -0.828490 4 Si 0 -0.037645 -0.592541 -0.000000 5 H 0 -0.695489 -H.H3073H H.229H83 6 H 0 -0.695489 -H.H3073H -H.229H83 7 H 0 H.453473 -0.850638 0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 64.9708473 12.3459229 12.0287497 Standard basis: def2SVP (5D, 7F) ... ... ... Optimization completed. ===> 7287 ~ 7431 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 N 0 -0.035N46 1.168886 0.000000 2 H 0 0.354425 H.6H5H2H 0.829328 3 H 0 0.354425 H.6H5H2H -0.829328 4 Si 0 -0.035746 -0.590778 -0.000000 5 H 0 -0.70H488 -H.H20464 H.229HH3 6 H 0 -0.70H488 -H.H20464 -H.229HH3 7 H 0 H.444789 -0.9006H8 -0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 65.1081583 12.3584405 12.0345211 Standard basis: def2SVP (5D, 7F) ... ... ... Optimization completed. ===> 7677 ~ 7821 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 N 0 -0.0338NN 1.16N8N4 -0.000000 2 H 0 0.34602H H.62H363 0.830026 3 H 0 0.34602H H.62H363 -0.830026 4 Si 0 -0.033877 -0.589118 0.000000 5 H 0 -0.707468 -H.H09952 H.229H02 6 H 0 -0.707468 -H.H09952 -H.229H02 7 H 0 H.4343H7 -0.950285 0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 65.2770332 12.3678988 12.0364206 Standard basis: def2SVP (5D, 7F) ... ... ... Optimization completed. ===> 8067 ~ 8211 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 N 0 -0.032052 1.16N15N -0.000000 2 H 0 0.338955 H.626798 0.830584 3 H 0 0.338955 H.626798 -0.830584 4 Si 0 -0.032052 -0.587555 0.000000 5 H 0 -0.7H3438 -H.099H79 H.229H5H 6 H 0 -0.7H3438 -H.099H79 -H.229H5H 7 H 0 H.42206H -0.999575 -0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 65.4759361 12.3746499 12.0348622 Standard basis: def2SVP (5D, 7F) ... ... ... Optimization completed. ===> 8457 ~ 8601 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 N 0 -0.030284 1.166N31 0.000000 2 H 0 0.333395 H.63H404 0.83H00H 3 H 0 0.333395 H.63H404 -0.83H00H 4 Si 0 -0.030284 -0.586091 -0.000000 5 H 0 -0.7H9428 -H.088H09 H.229259 6 H 0 -0.7H9428 -H.088H09 -H.229259 7 H 0 H.408034 -H.048438 -0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 65.7020054 12.3787473 12.0300177 Standard basis: def2SVP (5D, 7F) ... ... ... Optimization completed. ===> 8847 ~ 8990 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 N 0 -0.0285N8 1.166554 0.000000 2 H 0 0.32935H H.635230 0.83H285 3 H 0 0.32935H H.635230 -0.83H285 4 Si 0 -0.028578 -0.584710 -0.000000 5 H 0 -0.7254H6 -H.076800 H.229406 6 H 0 -0.7254H6 -H.076800 -H.229406 7 H 0 H.392260 -H.096803 -0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 65.9555410 12.3806889 12.0224283 Standard basis: def2SVP (5D, 7F) ... ... ... Optimization completed. ===> 9236 ~ 9379 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 N 0 -0.026921 1.1665N2 0.000000 2 H 0 0.32664H H.638406 0.83H452 3 H 0 0.32664H H.638406 -0.83H452 4 Si 0 -0.026921 -0.583403 -0.000000 5 H 0 -0.73H363 -H.065283 H.229590 6 H 0 -0.73H363 -H.065283 -H.229590 7 H 0 H.374777 -H.H446H0 -0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 66.2374691 12.3809232 12.0124869 Standard basis: def2SVP (5D, 7F) ... ... ... Optimization completed. ===> 9624 ~ 9767 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 N 0 -0.025304 1.166NN4 -0.000000 2 H 0 0.325H34 H.64H029 0.83H52H 3 H 0 0.325H34 H.64H029 -0.83H52H 4 Si 0 -0.025304 -0.582187 0.000000 5 H 0 -0.737262 -H.0535H5 H.229829 6 H 0 -0.737262 -H.0535H5 -H.229829 7 H 0 H.355639 -H.H9H83H 0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 66.5459761 12.3793362 12.0000958 Standard basis: def2SVP (5D, 7F) ... ... ... Optimization completed. ===> 10012 ~ 10154 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 N 0 -0.023N20 1.16N140 0.000000 2 H 0 0.324707 H.643H80 0.83H508 3 H 0 0.324707 H.643H80 -0.83H508 4 Si 0 -0.023720 -0.581063 -0.000000 5 H 0 -0.743089 -H.04H5H8 H.230HH8 6 H 0 -0.743089 -H.04H5H8 -H.230HH8 7 H 0 H.334886 -H.238423 -0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 66.8806555 12.3759831 11.9853432 Standard basis: def2SVP (5D, 7F) ... ... ... Optimization completed. ===> 10399 ~ 10532 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 N 0 -0.022154 1.16N625 -0.000000 2 H 0 0.325H37 H.644972 0.83H428 3 H 0 0.325H37 H.644972 -0.83H428 4 Si 0 -0.022154 -0.580017 0.000000 5 H 0 -0.74879H -H.029377 H.230442 6 H 0 -0.74879H -H.029377 -H.230442 7 H 0 H.3H2548 -H.28432H 0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 67.2436643 12.3712936 11.9686090 Standard basis: def2SVP (5D, 7F) ... ... ... Optimization completed. ===> 10605 ~ 10743 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 N 0 -0.020N00 1.168591 0.000000 2 H 0 0.326660 H.645979 0.83H400 3 H 0 0.326660 H.645979 -0.83H400 4 Si 0 -0.020700 -0.578966 -0.000000 5 H 0 -0.7536H3 -H.0H8575 H.230254 6 H 0 -0.7536H3 -H.0H8575 -H.230254 7 H 0 H.2886H2 -H.329422 -0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 67.6723320 12.3621664 11.9471881 Standard basis: def2SVP (5D, 7F) ... ... ... Optimization completed. ===> 10816 ~ 10955 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 N 0 -0.0190N5 1.169161 0.000000 2 H 0 0.327752 H.647455 0.83H299 3 H 0 0.327752 H.647455 -0.83H299 4 Si 0 -0.019075 -0.578104 -0.000000 5 H 0 -0.759064 -H.005899 H.230676 6 H 0 -0.759064 -H.005899 -H.230676 7 H 0 H.263208 -H.373773 -0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 68.0937358 12.3560621 11.9274712 Standard basis: def2SVP (5D, 7F) ... ... ... Optimization completed. ===> 11028 ~ 11168 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 N 0 -0.01N442 1.169N81 0.000000 2 H 0 0.329277 H.648766 0.83HH72 3 H 0 0.329277 H.648766 -0.83HH72 4 Si 0 -0.017442 -0.577310 -0.000000 5 H 0 -0.764297 -0.993H95 H.23HH33 6 H 0 -0.764297 -0.993H95 -H.23HH33 7 H 0 H.236323 -H.4H7266 -0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 68.5433019 12.3491616 11.9063360 Standard basis: def2SVP (5D, 7F) ... ... ... Optimization completed. ===> 11241 ~ 11381 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 N 0 -0.01581N 1.1N0523 0.000000 2 H 0 0.33H456 H.649808 0.83H007 3 H 0 0.33H456 H.649808 -0.83H007 4 Si 0 -0.015817 -0.576633 -0.000000 5 H 0 -0.769360 -0.980252 H.23H663 6 H 0 -0.769360 -0.980252 -H.23H663 7 H 0 H.20797H -H.459905 -0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 69.0136546 12.3406046 11.8831594 Standard basis: def2SVP (5D, 7F) ... ... ... Optimization completed. ===> 11454 ~ 11594 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 N 0 -0.0141NN 1.1N12N9 0.000000 2 H 0 0.333945 H.650744 0.8308H3 3 H 0 0.333945 H.650744 -0.8308H3 4 Si 0 -0.0Si177 -0.576018 -0.000000 5 H 0 -0.774H80 -0.967305 H.232230 6 H 0 -0.774H80 -0.967305 -H.232230 7 H 0 H.H78H90 -H.50H579 -0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 69.5100631 12.3316373 11.8590641 Standard basis: def2SVP (5D, 7F) ... ... ... Optimization completed. ===> 11667 ~ 11807 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 N 0 -0.012544 1.1N2143 0.000000 2 H 0 0.337005 H.65H44H 0.830586 3 H 0 0.337005 H.65H44H -0.830586 4 Si 0 -0.012544 -0.575527 -0.000000 5 H 0 -0.778806 -0.95409H H.232884 6 H 0 -0.778806 -0.95409H -H.232884 7 H 0 H.H47025 -H.542328 -0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 70.0227300 12.3210992 11.8331674 Standard basis: def2SVP (5D, 7F) ... ... ... Optimization completed. ===> 12054 ~ 12188 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 N 0 -0.011035 1.1N3350 -0.000000 2 H 0 0.342028 H.652008 0.830070 3 H 0 0.342028 H.652008 -0.830070 4 Si 0 -0.011035 -0.575351 0.000000 5 H 0 -0.783540 -0.939963 H.234379 6 H 0 -0.783540 -0.939963 -H.234379 7 H 0 H.HH4754 -H.582629 0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 70.4873013 12.3037791 11.8009163 Standard basis: def2SVP (5D, 7F) ... ... ... Optimization completed. ===> 12435 ~ 12578 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 N 0 -0.009408 1.1N4261 0.000000 2 H 0 0.3456H6 H.652757 0.82968H 3 H 0 0.3456H6 H.652757 -0.82968H 4 Si 0 -0.009408 -0.575012 -0.000000 5 H 0 -0.787294 -0.926923 H.235H9H 6 H 0 -0.787294 -0.926923 -H.235H9H 7 H 0 H.0809H6 -H.62H326 -0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 71.0501455 12.2915964 11.7726042 Standard basis: def2SVP (5D, 7F) ... ... ... Optimization completed. ===> 12825 ~ 12959 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 N 0 -0.00NN19 1.1N5108 -0.000000 2 H 0 0.349020 H.653738 0.829334 3 H 0 0.349020 H.653738 -0.829334 4 Si 0 -0.007719 -0.574730 0.000000 5 H 0 -0.790954 -0.9H3995 H.236274 6 H 0 -0.790954 -0.9H3995 -H.236274 7 H 0 H.045976 -H.659025 0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 71.6126533 12.2789071 11.7433800 Standard basis: def2SVP (5D, 7F) ... ... ... Optimization completed. ===> 13206 ~ 13341 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 N 0 -0.006033 1.1N6183 -0.000000 2 H 0 0.3528H3 H.654H25 0.82909H 3 H 0 0.3528H3 H.654H25 -0.82909H 4 Si 0 -0.006033 -0.574654 0.000000 5 H 0 -0.794287 -0.900400 H.2372H8 6 H 0 -0.794287 -0.900400 -H.2372H8 7 H 0 H.009645 -H.695576 0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 72.1963332 12.2642270 11.7123240 Standard basis: def2SVP (5D, 7F) ... ... ... Optimization completed. ===> 13588 ~ 13732 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 N 0 -0.004344 1.1NN293 -0.000000 2 H 0 0.356836 H.6545H6 0.8288H6 3 H 0 0.356836 H.6545H6 -0.8288H6 4 Si 0 -0.004344 -0.574688 0.000000 5 H 0 -0.797294 -0.886723 H.238365 6 H 0 -0.797294 -0.886723 -H.238365 7 H 0 0.972H33 -H.73H0H0 0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 72.7841226 12.2484069 11.6800135 Standard basis: def2SVP (5D, 7F) ... ... ... Optimization completed. ===> 13979 ~ 14123 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 N 0 -0.002606 1.1N8269 0.000000 2 H 0 0.360584 H.655H56 0.828528 3 H 0 0.360584 H.655H56 -0.828528 4 Si 0 -0.002606 -0.574748 -0.000000 5 H 0 -0.799970 -0.873275 H.239652 6 H 0 -0.799970 -0.873275 -H.239652 7 H 0 0.933498 -H.765H79 -0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 73.3824148 12.2334352 11.6482356 Standard basis: def2SVP (5D, 7F) ... ... ... Optimization completed.