# # Created by GaussView 5.0.8 # # # @MOLECULE Molecule Name 96 97 SMALL NO_CHARGES @ATOM 1 Rh1 0.0033 -0.0283 0.0737 Rh 2 P2 2.4396 -0.2680 0.0324 P 3 C3 2.9606 -2.0462 -0.4559 C 4 H4 4.0583 -2.0960 -0.3925 H 5 C5 2.5479 -2.3686 -1.9151 C 6 H6 3.0125 -1.6616 -2.6151 H 7 H7 1.4626 -2.2398 -2.0238 H 8 C8 2.9504 -3.8137 -2.2951 C 9 H9 2.6113 -4.0291 -3.3183 H 10 H10 4.0493 -3.8981 -2.2995 H 11 C11 2.3670 -4.8505 -1.3087 C 12 H12 1.2682 -4.8473 -1.3876 H 13 H13 2.7041 -5.8617 -1.5777 H 14 C14 2.7709 -4.5212 0.1462 C 15 H15 3.8614 -4.6360 0.2565 H 16 H16 2.3048 -5.2332 0.8421 H 17 C17 2.3615 -3.0803 0.5307 C 18 H18 2.6786 -2.8636 1.5597 H 19 H19 1.2651 -2.9958 0.5093 H 20 C20 3.3402 0.0590 1.6587 C 21 C21 4.5313 -0.6082 2.0217 C 22 H22 4.9561 -1.3716 1.3762 H 23 C23 5.1879 -0.3012 3.2280 C 24 H24 6.1002 -0.8301 3.4940 H 25 C25 4.6680 0.6859 4.0866 C 26 H26 5.1747 0.9223 5.0193 H 27 C27 3.4834 1.3587 3.7323 C 28 H28 3.0677 2.1175 4.3909 H 29 C29 2.8240 1.0433 2.5303 C 30 H30 1.9000 1.5558 2.2733 H 31 C31 3.3443 0.8929 -1.2060 C 32 H32 2.8364 0.6878 -2.1569 H 33 C33 4.8583 0.6091 -1.3489 C 34 H34 5.0354 -0.4343 -1.6449 H 35 H35 5.3600 0.7637 -0.3823 H 36 C36 5.4923 1.5516 -2.4035 C 37 H37 6.5728 1.3575 -2.4686 H 38 H38 5.0654 1.3261 -3.3932 H 39 C39 5.2334 3.0371 -2.0655 C 40 H40 5.7545 3.2915 -1.1284 H 41 H41 5.6544 3.6818 -2.8503 H 42 C42 3.7220 3.3140 -1.9000 C 43 H43 3.2134 3.1681 -2.8650 H 44 H44 3.5579 4.3613 -1.6077 H 45 C45 3.0841 2.3764 -0.8472 C 46 H46 2.0033 2.5561 -0.7947 H 47 H47 3.5116 2.6015 0.1419 H 48 P48 -2.4316 0.2569 -0.0101 P 49 Cl49 0.1119 0.5788 -2.3102 Cl 50 C50 -0.0771 -0.5141 1.8341 C 51 O51 -0.1492 -0.8400 2.9777 O 52 C52 -2.9422 2.0982 0.1629 C 53 H53 -4.0420 2.1262 0.1951 H 54 C54 -2.4061 2.6831 1.4951 C 55 H55 -2.7785 2.1063 2.3539 H 56 H56 -1.3090 2.6003 1.5042 H 57 C57 -2.8113 4.1681 1.6546 C 58 H58 -2.3852 4.5667 2.5865 H 59 H59 -3.9068 4.2398 1.7495 H 60 C60 -2.3483 5.0146 0.4475 C 61 H61 -1.2473 5.0359 0.4211 H 62 H62 -2.6859 6.0546 0.5632 H 63 C63 -2.8750 4.4235 -0.8797 C 64 H64 -3.9739 4.5079 -0.9033 H 65 H65 -2.4938 5.0038 -1.7317 H 66 C66 -2.4645 2.9413 -1.0455 C 67 H67 -2.8763 2.5412 -1.9802 H 68 H68 -1.3734 2.8631 -1.1354 H 69 C69 -3.3254 -0.3625 -1.5446 C 70 C70 -4.5728 0.1635 -1.9490 C 71 H71 -5.0324 0.9821 -1.4014 H 72 C72 -5.2365 -0.3560 -3.0758 C 73 H73 -6.1930 0.0639 -3.3787 H 74 C74 -4.6639 -1.4129 -3.8089 C 75 H75 -5.1757 -1.8136 -4.6809 H 76 C76 -3.4191 -1.9384 -3.4136 C 77 H77 -2.9603 -2.7428 -3.9834 H 78 C78 -2.7514 -1.4115 -2.2928 C 79 H79 -1.7724 -1.7913 -2.0182 H 80 C80 -3.3665 -0.6377 1.4235 C 81 H81 -2.8572 -0.2824 2.3317 H 82 C82 -4.8719 -0.3019 1.5428 C 83 H83 -5.0263 0.7811 1.6430 H 84 H84 -5.3936 -0.6238 0.6301 H 85 C85 -5.5006 -1.0187 2.7647 C 86 H86 -6.5752 -0.7902 2.8119 H 87 H87 -5.0491 -0.6228 3.6881 H 88 C88 -5.2808 -2.5472 2.7054 C 89 H89 -5.8365 -2.9600 1.8484 H 90 H90 -5.6882 -3.0227 3.6089 H 91 C91 -3.7814 -2.8883 2.5517 C 92 H92 -3.2404 -2.5856 3.4615 H 93 H93 -3.6482 -3.9746 2.4482 H 94 C94 -3.1609 -2.1711 1.3293 C 95 H95 -2.0918 -2.4099 1.2590 H 96 H96 -3.6359 -2.5455 0.4102 H @BOND 1 1 50 1 2 2 3 1 3 2 20 1 4 2 31 1 5 3 4 1 6 3 5 1 7 3 17 1 8 5 6 1 9 5 7 1 10 5 8 1 11 8 9 1 12 8 10 1 13 8 11 1 14 11 12 1 15 11 13 1 16 11 14 1 17 14 15 1 18 14 16 1 19 14 17 1 20 17 18 1 21 17 19 1 22 20 21 Ar 23 20 29 Ar 24 21 22 1 25 21 23 Ar 26 23 24 1 27 23 25 Ar 28 25 26 1 29 25 27 Ar 30 27 28 1 31 27 29 Ar 32 29 30 1 33 31 32 1 34 31 33 1 35 31 45 1 36 33 34 1 37 33 35 1 38 33 36 1 39 36 37 1 40 36 38 1 41 36 39 1 42 39 40 1 43 39 41 1 44 39 42 1 45 42 43 1 46 42 44 1 47 42 45 1 48 45 46 1 49 45 47 1 50 48 52 1 51 48 69 1 52 50 51 2 53 52 53 1 54 52 54 1 55 52 66 1 56 54 55 1 57 54 56 1 58 54 57 1 59 57 58 1 60 57 59 1 61 57 60 1 62 60 61 1 63 60 62 1 64 60 63 1 65 63 64 1 66 63 65 1 67 63 66 1 68 66 67 1 69 66 68 1 70 69 70 Ar 71 69 78 Ar 72 70 71 1 73 70 72 Ar 74 72 73 1 75 72 74 Ar 76 74 75 1 77 74 76 Ar 78 76 77 1 79 76 78 Ar 80 78 79 1 81 80 81 1 82 80 82 1 83 80 94 1 84 82 83 1 85 82 84 1 86 82 85 1 87 85 86 1 88 85 87 1 89 85 88 1 90 88 89 1 91 88 90 1 92 88 91 1 93 91 92 1 94 91 93 1 95 91 94 1 96 94 95 1 97 94 96 1