90
IrEndo-Endo.xyz
Ir 1.1539 -0.0341 -0.9083
B -2.6694 -0.2345 0.1740
C 3.1513 -0.6779 -0.5551
C 2.3434 -1.0733 0.5601
C 2.0188 -2.5114 0.9067
H 1.8222 -3.1153 0.0149
H 1.0993 -2.5245 1.5021
C 3.1321 -3.1970 1.7203
H 3.4123 -2.5546 2.5672
H 2.6969 -4.1011 2.1647
C 4.4025 -3.6064 0.9607
H 4.1294 -4.2476 0.1101
H 4.9786 -4.2525 1.6342
C 5.3197 -2.4612 0.4858
H 6.3645 -2.7452 0.6605
H 5.1494 -1.5793 1.1170
C 5.2078 -2.0646 -0.9921
H 5.5717 -2.8905 -1.6178
H 5.8912 -1.2242 -1.1738
C 3.8013 -1.6761 -1.4815
H 3.8835 -1.2568 -2.4918
H 3.1819 -2.5747 -1.5686
C 1.5819 1.6907 0.2898
C 2.0409 1.9311 -1.0443
C 1.4264 2.9570 -1.9753
H 0.3350 2.9732 -1.8987
H 1.6673 2.6776 -3.0086
C 1.9533 4.3853 -1.7420
H 3.0523 4.3678 -1.7150
H 1.6860 4.9751 -2.6286
C 1.4308 5.1271 -0.5034
H 0.3321 5.1324 -0.5171
H 1.7295 6.1765 -0.6167
C 1.9381 4.6181 0.8603
H 2.1695 5.4801 1.4979
H 2.8960 4.1000 0.7159
C 0.9771 3.7201 1.6488
H 0.1029 4.3048 1.9611
H 1.4822 3.4099 2.5739
C 0.4579 2.4693 0.9187
H -0.0807 1.8468 1.6378
H -0.2873 2.7490 0.1697
C -1.3490 -0.4026 -0.8063
C -0.6109 -1.6147 -0.8555
H -0.7830 -2.3531 -0.0788
C 0.3310 -1.9131 -1.8831
H 0.8375 -2.8717 -1.8832
C 0.5515 -1.0123 -2.9559
H 1.2227 -1.2598 -3.7697
C -0.0706 0.2459 -2.8746
H 0.1357 1.0008 -3.6252
C -0.9246 0.5574 -1.7783
H -1.3619 1.5489 -1.7353
C -3.9133 -0.8732 -0.7192
C -3.7780 -1.9567 -1.6042
H -2.7954 -2.3894 -1.7844
C -4.8643 -2.5241 -2.2723
H -4.7057 -3.3607 -2.9498
C -6.1479 -2.0224 -2.0716
H -6.9991 -2.4586 -2.5885
C -6.3224 -0.9534 -1.1940
H -7.3177 -0.5512 -1.0172
C -5.2254 -0.3933 -0.5397
H -5.3919 0.4410 0.1367
C -2.9716 1.3476 0.4975
C -3.3829 2.2409 -0.5141
H -3.5647 1.8561 -1.5170
C -3.6218 3.5948 -0.2729
H -3.9390 4.2430 -1.0874
C -3.4804 4.1099 1.0154
H -3.6757 5.1608 1.2144
C -3.1125 3.2484 2.0474
H -3.0252 3.6252 3.0644
C -2.8650 1.8988 1.7859
H -2.5879 1.2501 2.6133
C -2.4555 -1.1120 1.5448
C -3.4532 -1.9524 2.0676
H -4.3877 -2.0595 1.5227
C -3.2882 -2.6542 3.2632
H -4.0901 -3.2923 3.6285
C -2.1036 -2.5431 3.9883
H -1.9723 -3.0874 4.9204
C -1.0894 -1.7201 3.5001
H -0.1597 -1.6131 4.0562
C -1.2700 -1.0260 2.3021
H -0.4597 -0.3939 1.9405
H 2.4130 -0.4601 1.4576
H 3.7753 0.2031 -0.3933
H 3.1105 1.8231 -1.2232
H 2.3628 1.4258 1.0060
90
IrExo-Endo.xyz
Ir 1.1026 -0.1603 -0.7855
B -2.6443 -0.2022 0.1510
C 3.1358 -0.7028 -0.4299
C 2.3434 -1.0817 0.7020
C 2.0535 -2.5149 1.0990
H 1.8704 -3.1524 0.2283
H 1.1312 -2.5259 1.6906
C 3.1792 -3.1527 1.9326
H 3.4554 -2.4750 2.7530
H 2.7632 -4.0478 2.4125
C 4.4496 -3.5669 1.1758
H 4.1788 -4.2399 0.3493
H 5.0440 -4.1803 1.8639
C 5.3407 -2.4223 0.6525
H 6.3924 -2.6807 0.8263
H 5.1589 -1.5222 1.2539
C 5.2076 -2.0795 -0.8371
H 5.5766 -2.9222 -1.4372
H 5.8783 -1.2376 -1.0552
C 3.7921 -1.7242 -1.3278
H 3.8662 -1.3402 -2.3527
H 3.1803 -2.6309 -1.3802
C 1.6686 1.9189 -0.8465
C 1.0445 1.6539 0.4121
C 1.7545 1.8429 1.7319
H 2.8038 1.5296 1.6868
H 1.2695 1.2116 2.4859
C 1.6979 3.2996 2.2324
H 0.6584 3.6504 2.1903
H 1.9695 3.2864 3.2959
C 2.6046 4.3211 1.5289
H 3.6481 3.9756 1.5681
H 2.5804 5.2327 2.1382
C 2.2256 4.6958 0.0815
H 2.3549 5.7764 -0.0537
H 1.1547 4.5097 -0.0686
C 3.0329 4.0069 -1.0267
H 4.0687 4.3709 -1.0023
H 2.6243 4.3180 -1.9977
C 3.0675 2.4693 -0.9664
H 3.5617 2.0890 -1.8687
H 3.6871 2.1650 -0.1179
C -1.3427 -0.5164 -0.8183
C -0.6482 -1.7529 -0.7789
H -0.8782 -2.4544 0.0168
C 0.3574 -2.0988 -1.7298
H 0.8519 -3.0610 -1.6556
C 0.6554 -1.2535 -2.8323
H 1.3777 -1.5514 -3.5836
C 0.0501 0.0121 -2.8612
H 0.3121 0.7273 -3.6345
C -0.8447 0.3872 -1.8153
H -1.2434 1.3977 -1.8231
C -3.9477 -0.7611 -0.6991
C -3.9010 -1.8416 -1.5964
H -2.9500 -2.3279 -1.8081
C -5.0386 -2.3379 -2.2356
H -4.9503 -3.1754 -2.9246
C -6.2838 -1.7641 -1.9913
H -7.1743 -2.1449 -2.4854
C -6.3700 -0.6951 -1.1001
H -7.3346 -0.2377 -0.8905
C -5.2231 -0.2070 -0.4750
H -5.3185 0.6297 0.2129
C -2.7782 1.4206 0.3953
C -3.1993 2.2820 -0.6401
H -3.5045 1.8500 -1.5923
C -3.2856 3.6657 -0.4818
H -3.6192 4.2863 -1.3110
C -2.9665 4.2498 0.7436
H -3.0413 5.3261 0.8787
C -2.5758 3.4278 1.7988
H -2.3528 3.8619 2.7715
C -2.4850 2.0445 1.6211
H -2.1930 1.4291 2.4682
C -2.4897 -1.0301 1.5612
C -3.5242 -1.8168 2.0960
H -4.4542 -1.9094 1.5412
C -3.4019 -2.4841 3.3164
H -4.2318 -3.0805 3.6897
C -2.2249 -2.3918 4.0560
H -2.1269 -2.9093 5.0073
C -1.1742 -1.6233 3.5563
H -0.2486 -1.5331 4.1222
C -1.3123 -0.9631 2.3340
H -0.4744 -0.3731 1.9645
H 2.4051 -0.4380 1.5746
H 3.7367 0.1958 -0.3161
H -0.0216 1.8702 0.4887
H 1.0149 2.3262 -1.6203
90
IrExo-Exo.xyz
B 0.0037 -0.1188 -0.0389
C 1.5148 -0.1551 -0.6784
C -0.9649 -1.2890 -0.6728
C 2.4327 -1.1752 -0.3563
C 1.9639 0.8002 -1.6063
C -0.6673 1.3793 -0.2502
C 0.0915 -0.2906 1.6018
C -2.3623 -1.2771 -0.4756
C -0.4699 -2.3615 -1.4363
C 3.7076 -1.2445 -0.9199
H 2.1380 -1.9396 0.3622
C 3.2355 0.7445 -2.1794
H 1.2976 1.6116 -1.8877
C -1.4652 1.6549 -1.3767
C -0.4121 2.4707 0.5987
C -0.9737 -0.8055 2.4143
C 1.2194 0.1256 2.3541
C -3.2024 -2.2764 -0.9687
H -2.8133 -0.4354 0.0483
C -1.2988 -3.3649 -1.9450
H 0.5939 -2.4055 -1.6545
C 4.1174 -0.2791 -1.8385
H 4.3814 -2.0549 -0.6472
H 3.5387 1.5066 -2.8942
C -1.9761 2.9267 -1.6367
H -1.6885 0.8504 -2.0730
C -0.9210 3.7473 0.3565
H 0.2141 2.3354 1.4793
C -1.0645 -0.6269 3.8280
H -1.8135 -1.2705 1.9055
C 1.2132 0.1629 3.7814
H 2.1240 0.4103 1.8254
C -2.6712 -3.3349 -1.7046
H -4.2746 -2.2186 -0.7928
H -0.8696 -4.1665 -2.5429
H 5.1090 -0.3254 -2.2823
C -1.7113 3.9828 -0.7661
H -2.5835 3.0922 -2.5240
H -0.6969 4.5592 1.0454
C 0.0352 -0.1112 4.5285
H -1.9560 -0.9443 4.3600
H 2.1103 0.4770 4.3087
H -3.3197 -4.1121 -2.1015
H -2.1121 4.9743 -0.9617
H 0.0197 -0.0044 5.6075
C 0.2705 -3.7041 2.0351
C 1.1898 -4.8346 1.6500
C -0.5287 -3.7280 3.2192
H -0.1692 -3.2251 1.1592
C 0.4592 -5.9618 0.8936
H 1.9746 -4.4443 0.9951
H 1.6917 -5.2597 2.5246
C -0.5900 -4.9089 4.1522
H -1.5125 -3.2630 3.1263
C -0.4459 -6.8901 1.7174
H 1.2287 -6.5810 0.4143
H -0.1267 -5.5209 0.0764
C -1.7337 -5.8530 3.7364
H 0.3489 -5.4648 4.1516
H -0.7622 -4.5854 5.1852
C -1.7494 -6.2702 2.2600
H -0.7097 -7.7313 1.0649
H 0.1328 -7.3339 2.5406
H -1.6763 -6.7505 4.3669
H -2.6960 -5.3783 3.9722
H -2.5666 -6.9919 2.1401
H -2.0249 -5.4121 1.6342
C 2.1787 -2.6608 4.7893
C 2.2105 -4.0103 5.4624
C 2.8719 -2.3844 3.5684
H 2.1614 -1.8526 5.5254
C 3.4443 -4.2057 6.3638
H 2.1844 -4.8200 4.7277
H 1.3129 -4.1214 6.0793
C 3.7625 -3.3865 2.8840
H 3.2956 -1.3822 3.4790
C 4.7894 -4.4470 5.6622
H 3.2417 -5.0691 7.0108
H 3.5425 -3.3431 7.0387
C 5.2109 -3.2375 3.3855
H 3.4241 -4.4075 3.0639
H 3.7515 -3.2346 1.8002
C 5.3973 -3.2462 4.9089
H 5.4973 -4.7645 6.4376
H 4.6971 -5.3078 4.9846
H 5.8045 -4.0495 2.9447
H 5.6341 -2.3045 2.9898
H 6.4766 -3.2129 5.1009
H 4.9985 -2.3164 5.3354
Ir 0.7641 -1.9943 3.2932
90
RhEndo-Endo.xyz
Rh 1.4877 0.1259 -0.7186
C 3.5152 -0.4550 -0.3173
C 2.7057 -1.0009 0.7035
C 4.2392 -1.3048 -1.3291
H 4.0499 0.4622 -0.0679
C 2.4134 -2.4738 0.8694
H 2.6548 -0.4624 1.6479
C -1.0230 -0.4667 -0.8433
C 0.8167 -1.6991 -1.9855
C 1.0148 -0.6674 -2.9296
C 0.3010 0.5216 -2.7328
C -0.6368 0.6277 -1.6697
C -0.1926 -1.6040 -0.9910
C 5.6449 -1.6885 -0.8279
H 4.3399 -0.7660 -2.2788
H 3.6673 -2.2122 -1.5456
H 2.2753 -2.9728 -0.0940
H 1.4719 -2.5854 1.4175
C 3.5219 -3.2117 1.6464
B -2.4019 -0.5206 0.0691
H 1.3965 -2.6128 -2.0694
H 1.7335 -0.7719 -3.7345
H 0.4713 1.3733 -3.3827
H -1.1602 1.5706 -1.5459
H -0.3497 -2.4488 -0.3273
C 5.7208 -2.2546 0.5961
H 6.0685 -2.4170 -1.5320
H 6.2944 -0.8044 -0.8802
H 3.7434 -2.6650 2.5739
H 3.1050 -4.1764 1.9617
C 4.8355 -3.4817 0.8973
C -3.5722 -1.0739 -0.9634
C -2.8258 0.9784 0.5993
C -2.1840 -1.5790 1.3075
H 6.7698 -2.5187 0.7767
H 5.4925 -1.4615 1.3199
H 4.6206 -4.0279 -0.0325
H 5.4130 -4.1804 1.5146
C -3.3347 -1.8654 -2.0999
C -4.9262 -0.8089 -0.6760
C -3.2696 1.9688 -0.3022
C -2.8021 1.3585 1.9525
C -3.0710 -2.6360 1.5738
C -1.0896 -1.4659 2.1889
H -2.3133 -2.1157 -2.3812
C -4.3664 -2.3580 -2.9022
C -5.9676 -1.2995 -1.4618
H -5.1677 -0.1993 0.1915
H -3.3917 1.7082 -1.3528
C -3.6106 3.2599 0.1034
C -3.1554 2.6415 2.3778
H -2.5103 0.6248 2.6998
H -3.9313 -2.7758 0.9246
C -2.8890 -3.5152 2.6435
C -0.8942 -2.3335 3.2652
H -0.3663 -0.6674 2.0266
H -4.1305 -2.9631 -3.7754
C -5.6930 -2.0764 -2.5872
H -6.9978 -1.0714 -1.1961
H -3.9482 3.9880 -0.6317
C -3.5480 3.6073 1.4526
H -3.1334 2.8831 3.4388
H -3.6043 -4.3183 2.8084
C -1.7988 -3.3695 3.4981
H -0.0408 -2.1965 3.9271
H -6.5012 -2.4559 -3.2077
H -3.8246 4.6069 1.7791
H -1.6555 -4.0498 4.3342
C 2.2191 2.1721 -0.5900
C 1.7474 1.7728 0.6783
C 0.4920 2.2903 1.3314
H -0.3222 2.4018 0.6110
H 0.1383 1.5409 2.0461
C 0.6872 3.6183 2.0857
H 1.5402 3.5300 2.7746
H -0.2017 3.7548 2.7123
C 0.8640 4.8795 1.2293
H 0.0072 4.9770 0.5484
H 0.7930 5.7380 1.9082
C 2.1864 4.9881 0.4440
H 2.5606 6.0172 0.5089
H 2.9494 4.3712 0.9369
C 2.1236 4.6347 -1.0474
H 1.5212 5.3877 -1.5726
H 3.1367 4.7117 -1.4650
C 1.5425 3.2494 -1.3976
H 1.6892 3.0846 -2.4707
H 0.4644 3.2498 -1.2151
H 2.5089 1.4542 1.3907
H 3.2925 2.1207 -0.7676
90
RhExo-Endo.xyz
Rh 1.2057 -0.1762 -0.8442
C 3.2602 -0.7450 -0.5264
C 2.5079 -1.1133 0.6096
C 3.8720 -1.7571 -1.4605
H 3.8305 0.1770 -0.4579
C 2.1755 -2.5367 0.9954
H 2.5539 -0.4505 1.4682
C -1.2697 -0.5484 -0.8988
C 0.3967 -2.1268 -1.8379
C 0.6992 -1.2706 -2.9257
C 0.1025 -0.0070 -2.9403
C -0.7857 0.3570 -1.8906
C -0.6003 -1.7943 -0.8851
C 5.2949 -2.1406 -1.0075
H 3.9274 -1.3567 -2.4797
H 3.2499 -2.6564 -1.5115
H 1.9499 -3.1520 0.1193
H 1.2679 -2.5276 1.6090
C 3.3044 -3.2209 1.7898
B -2.5503 -0.2270 0.0964
H 0.8831 -3.0957 -1.7820
H 1.4120 -1.5689 -3.6862
H 0.3508 0.7111 -3.7158
H -1.1886 1.3663 -1.8887
H -0.8437 -2.5119 -0.1076
C 5.4536 -2.5192 0.4711
H 5.6366 -2.9749 -1.6346
H 5.9732 -1.3039 -1.2216
H 3.6174 -2.5683 2.6171
H 2.8751 -4.1145 2.2603
C 4.5455 -3.6511 0.9936
C -3.8926 -0.7290 -0.7235
C -2.6508 1.3950 0.3742
C -2.3727 -1.0811 1.4894
H 6.5019 -2.8087 0.6131
H 5.3109 -1.6280 1.0959
H 4.2385 -4.3017 0.1619
H 5.1399 -4.2921 1.6558
C -3.8931 -1.7161 -1.7235
C -5.1550 -0.2058 -0.3798
C -3.0832 2.2778 -0.6385
C -2.3274 1.9969 1.6037
C -3.3834 -1.9030 2.0163
C -1.1863 -1.0125 2.2486
H -2.9536 -2.1692 -2.0358
C -5.0641 -2.1551 -2.3454
C -6.3337 -0.6381 -0.9856
H -5.2121 0.5636 0.3868
H -3.4161 1.8637 -1.5893
C -3.1480 3.6598 -0.4581
C -2.3978 3.3785 1.8042
H -2.0309 1.3654 2.4375
H -4.3186 -1.9997 1.4710
C -3.2313 -2.6009 3.2165
C -1.0191 -1.7003 3.4518
H -0.3637 -0.3976 1.8833
H -5.0125 -2.9197 -3.1180
C -6.2948 -1.6167 -1.9789
H -7.2859 -0.2074 -0.6830
H -3.4913 4.2969 -1.2707
C -2.7971 4.2217 0.7692
H -2.1540 3.7948 2.7799
H -4.0438 -3.2247 3.5833
C -2.0475 -2.5035 3.9441
H -0.0887 -1.6053 4.0091
H -7.2104 -1.9533 -2.4591
H -2.8563 5.2965 0.9223
H -1.9268 -3.0435 4.8801
C 1.2189 1.6541 0.3742
C 1.7070 1.9636 -0.9099
C 3.0907 2.4826 -1.2113
H 3.8485 2.0453 -0.5546
H 3.3615 2.1954 -2.2346
C 3.1888 4.0151 -1.0848
H 2.3679 4.4837 -1.6453
H 4.1135 4.3267 -1.5874
C 3.2074 4.5758 0.3450
H 4.0314 4.1118 0.9064
H 3.4738 5.6367 0.2641
C 1.8938 4.4616 1.1438
H 1.7437 5.3881 1.7109
H 1.0463 4.4092 0.4490
C 1.7967 3.3116 2.1547
H 2.5107 3.4823 2.9714
H 0.7974 3.3458 2.6046
C 2.0358 1.8847 1.6147
H 1.7502 1.1828 2.4065
H 3.1042 1.7347 1.4228
H 0.9725 2.2989 -1.6413
H 0.1451 1.7635 0.5347
90
RhExo-Exo.xyz
B 0.0177 -0.0821 -0.0206
C 1.5373 -0.1065 -0.6443
C -0.9306 -1.2728 -0.6536
C 2.4421 -1.1431 -0.3365
C 2.0170 0.8780 -1.5250
C -0.6914 1.3875 -0.2786
C 0.1060 -0.2409 1.6219
C -2.3303 -1.2631 -0.4721
C -0.4255 -2.3486 -1.4058
C 3.7288 -1.2044 -0.8729
H 2.1259 -1.9289 0.3496
C 3.3019 0.8325 -2.0695
H 1.3647 1.7055 -1.7921
C -1.3409 1.6438 -1.5023
C -0.6412 2.4641 0.6233
C -0.9582 -0.7482 2.4338
C 1.2228 0.2013 2.3656
C -3.1625 -2.2684 -0.9653
H -2.7882 -0.4171 0.0387
C -1.2469 -3.3569 -1.9178
H 0.6403 -2.3903 -1.6157
C 4.1675 -0.2106 -1.7471
H 4.3897 -2.0300 -0.6140
H 3.6279 1.6182 -2.7478
C -1.8986 2.8847 -1.8066
H -1.4092 0.8447 -2.2368
C -1.2017 3.7107 0.3368
H -0.1464 2.3402 1.5854
C -1.0450 -0.5714 3.8433
H -1.8026 -1.2072 1.9259
C 1.2261 0.2164 3.7851
H 2.1155 0.5162 1.8337
C -2.6216 -3.3302 -1.6899
H -4.2367 -2.2121 -0.8009
H -0.8101 -4.1589 -2.5098
H 5.1684 -0.2498 -2.1701
C -1.8363 3.9283 -0.8834
H -2.3860 3.0366 -2.7674
H -1.1407 4.5127 1.0698
C 0.0574 -0.0681 4.5376
H -1.9419 -0.8742 4.3752
H 2.1240 0.5364 4.3088
H -3.2643 -4.1109 -2.0894
H -2.2754 4.8961 -1.1130
H 0.0471 0.0429 5.6165
C 0.2035 -3.7230 2.0326
C 1.1108 -4.8377 1.5873
C -0.5317 -3.7571 3.2307
H -0.2146 -3.1574 1.1991
C 0.3462 -5.9529 0.8437
H 1.8650 -4.4322 0.9056
H 1.6503 -5.2819 2.4290
C -0.5475 -4.9397 4.1571
H -1.4809 -3.2201 3.2332
C -0.5163 -6.8956 1.6969
H 1.0941 -6.5616 0.3191
H -0.2778 -5.4991 0.0630
C -1.7100 -5.8833 3.7883
H 0.3909 -5.4950 4.1016
H -0.6680 -4.6252 5.1999
C -1.7948 -6.2888 2.3107
H -0.8092 -7.7277 1.0452
H 0.1022 -7.3497 2.4849
H -1.6192 -6.7846 4.4092
H -2.6604 -5.4123 4.0737
H -2.6118 -7.0156 2.2264
H -2.1071 -5.4280 1.7067
C 2.2658 -2.6451 4.7931
C 2.2543 -3.9638 5.5192
C 2.9189 -2.4350 3.5642
H 2.2010 -1.7929 5.4718
C 3.5073 -4.1783 6.3915
H 2.1680 -4.7999 4.8209
H 1.3709 -4.0080 6.1653
C 3.7464 -3.4841 2.8809
H 3.2939 -1.4299 3.3694
C 4.8187 -4.4984 5.6575
H 3.2899 -5.0097 7.0744
H 3.6611 -3.2975 7.0313
C 5.2166 -3.3753 3.3302
H 3.3783 -4.4866 3.1051
H 3.7041 -3.3636 1.7940
C 5.4541 -3.3500 4.8466
H 5.5360 -4.8193 6.4227
H 4.6710 -5.3772 5.0138
H 5.7621 -4.2218 2.8925
H 5.6604 -2.4707 2.8942
H 6.5398 -3.3629 5.0005
H 5.1145 -2.3904 5.2580
Rh 0.7866 -2.0004 3.3009
90
Rh_105neg.xyz
Rh 1.2649 -0.2548 -0.6623
C 3.3924 -0.5567 -0.6361
C 2.8322 -1.0389 0.5764
C 4.0297 -1.4819 -1.6409
H 3.8413 0.4329 -0.6266
C 2.7555 -2.4986 0.9653
H 2.9176 -0.3993 1.4536
C -1.2379 -0.7339 -0.7813
C 0.5427 -2.2637 -1.5208
C 0.8778 -1.4420 -2.6297
C 0.1894 -0.2353 -2.8007
C -0.7627 0.1304 -1.8219
C -0.5429 -1.9515 -0.6652
C 5.5326 -1.6649 -1.3500
H 3.9243 -1.0829 -2.6568
H 3.5350 -2.4586 -1.6335
H 2.5335 -3.1379 0.1059
H 1.9204 -2.6248 1.6640
C 4.0442 -3.0168 1.6308
B -2.5723 -0.3955 0.1392
H 1.0762 -3.1992 -1.3877
H 1.6618 -1.7427 -3.3154
H 0.4300 0.4349 -3.6192
H -1.2407 1.1008 -1.9160
H -0.8162 -2.6479 0.1208
C 5.9102 -2.0101 0.0964
H 5.9142 -2.4468 -2.0203
H 6.0606 -0.7433 -1.6293
H 4.3446 -2.3273 2.4325
H 3.7996 -3.9645 2.1273
C 5.2444 -3.2617 0.7039
C -3.8694 -0.8964 -0.7502
C -2.6691 1.2302 0.4061
C -2.4832 -1.2318 1.5524
H 6.9989 -2.1423 0.1153
H 5.7110 -1.1473 0.7450
H 4.9513 -3.9573 -0.0958
H 5.9956 -3.8008 1.2938
C -3.8151 -1.9234 -1.7082
C -5.1440 -0.3427 -0.5190
C -3.0770 2.1179 -0.6131
C -2.3452 1.8306 1.6374
C -3.5588 -1.9812 2.0592
C -1.3222 -1.2179 2.3526
H -2.8627 -2.4028 -1.9290
C -4.9451 -2.3693 -2.3966
C -6.2833 -0.7809 -1.1930
H -5.2446 0.4553 0.2133
H -3.4058 1.7075 -1.5668
C -3.1245 3.5014 -0.4346
C -2.3947 3.2128 1.8349
H -2.0624 1.1956 2.4731
H -4.4784 -2.0354 1.4824
C -3.4899 -2.6619 3.2762
C -1.2357 -1.8922 3.5714
H -0.4502 -0.6636 2.0054
H -4.8514 -3.1658 -3.1321
C -6.1894 -1.7976 -2.1430
H -7.2476 -0.3255 -0.9767
H -3.4532 4.1421 -1.2504
C -2.7765 4.0601 0.7955
H -2.1487 3.6273 2.8106
H -4.3502 -3.2289 3.6256
C -2.3266 -2.6221 4.0419
H -0.3184 -1.8455 4.1558
H -7.0735 -2.1392 -2.6758
H -2.8264 5.1356 0.9480
H -2.2694 -3.1517 4.9899
C 1.7219 1.6068 0.6988
C 0.7940 2.0011 -0.2434
C 1.0950 2.9405 -1.3829
H 2.1014 2.7688 -1.7804
H 0.3985 2.7396 -2.2032
C 0.9334 4.4244 -0.9907
H -0.0581 4.5631 -0.5409
H 0.9279 5.0027 -1.9235
C 1.9991 5.0250 -0.0626
H 2.9950 4.9034 -0.5130
H 1.8224 6.1073 -0.0448
C 2.0052 4.5091 1.3906
H 2.1770 5.3524 2.0701
H 1.0064 4.1307 1.6416
C 3.0615 3.4480 1.7231
H 4.0594 3.9050 1.6927
H 2.9095 3.1156 2.7584
C 3.0906 2.2157 0.7972
H 3.8208 1.5050 1.2019
H 3.4522 2.5176 -0.1909
H -0.2566 1.8837 0.0168
H 1.3200 1.2147 1.6336
90
Rh_90posit.xyz
Rh 1.3555 -0.0428 -1.0378
C 3.4160 -0.6029 -0.7075
C 2.6663 -0.8412 0.4719
C 4.0410 -1.7129 -1.5131
H 4.0072 0.3103 -0.7432
C 2.3804 -2.2162 1.0310
H 2.7016 -0.0871 1.2534
C -1.1124 -0.6283 -0.8789
C 0.7237 -1.9822 -1.8950
C 0.7608 -1.1885 -3.0771
C -0.0010 -0.0275 -3.0726
C -0.8465 0.2625 -1.9542
C -0.2122 -1.7229 -0.8487
C 5.4811 -1.9904 -1.0391
H 4.0671 -1.4510 -2.5778
H 3.4544 -2.6318 -1.4306
H 2.1619 -2.9436 0.2427
H 1.4856 -2.1516 1.6586
C 3.5375 -2.7686 1.8860
B -2.3678 -0.5177 0.1899
H 1.3406 -2.8723 -1.8390
H 1.4095 -1.4490 -3.9059
H 0.0478 0.6724 -3.9014
H -1.4161 1.1848 -1.9959
H -0.2489 -2.4056 -0.0054
C 5.6622 -2.1831 0.4724
H 5.8449 -2.8830 -1.5652
H 6.1288 -1.1639 -1.3616
H 3.8397 -2.0118 2.6235
H 3.1362 -3.6077 2.4682
C 4.7832 -3.2635 1.1355
C -3.5650 -1.4922 -0.4012
C -2.9425 1.0225 0.2591
C -1.8461 -1.0622 1.6509
H 6.7180 -2.4299 0.6376
H 5.5033 -1.2264 0.9868
H 4.4857 -4.0153 0.3901
H 5.3966 -3.8078 1.8639
C -3.3820 -2.5410 -1.3174
C -4.8807 -1.3185 0.0737
C -3.5897 1.5915 -0.8584
C -2.8607 1.8450 1.3957
C -2.4465 -2.1336 2.3338
C -0.7475 -0.4642 2.3011
H -2.3932 -2.7330 -1.7303
C -4.4297 -3.3657 -1.7353
C -5.9350 -2.1366 -0.3269
H -5.0800 -0.5149 0.7791
H -3.7502 0.9749 -1.7418
C -4.0725 2.9006 -0.8645
C -3.3512 3.1535 1.4115
H -2.4120 1.4474 2.3026
H -3.2958 -2.6365 1.8784
C -1.9941 -2.5761 3.5792
C -0.2882 -0.8871 3.5494
H -0.2359 0.3650 1.8124
H -4.2379 -4.1628 -2.4510
C -5.7155 -3.1683 -1.2403
H -6.9329 -1.9661 0.0719
H -4.5644 3.2936 -1.7521
C -3.9485 3.6960 0.2752
H -3.2752 3.7471 2.3206
H -2.4925 -3.4106 4.0681
C -0.9126 -1.9534 4.1978
H 0.5546 -0.3831 4.0196
H -6.5355 -3.8060 -1.5615
H -4.3337 4.7128 0.2836
H -0.5616 -2.2900 5.1704
C 1.1530 2.4267 -1.0372
C 2.3008 2.1367 -0.3498
C 2.5190 2.3781 1.1204
H 1.6313 2.0987 1.6980
H 3.3340 1.7315 1.4643
C 2.9255 3.8271 1.4593
H 3.7834 4.1141 0.8348
H 3.2961 3.8202 2.4922
C 1.8428 4.9090 1.3472
H 0.9792 4.6319 1.9672
H 2.2561 5.8125 1.8118
C 1.3784 5.2602 -0.0794
H 1.2448 6.3461 -0.1553
H 2.1814 5.0163 -0.7880
C 0.0656 4.6144 -0.5362
H -0.7713 5.0335 0.0351
H -0.1140 4.8915 -1.5836
C -0.0319 3.0805 -0.3940
H -0.9792 2.7645 -0.8326
H -0.0915 2.8097 0.6627
H 3.2038 2.0321 -0.9473
H 1.2191 2.4820 -2.1237
