20
Frequency 38.42i
Pd 1.1079 0.3099 0.1396 -0.1068 -0.2766 0.0255
C 2.3304 1.5645 -0.8889 -0.1202 -0.0272 -0.0208
C 3.2318 2.3715 -0.3539 -0.1903 0.0591 -0.0325
H 2.2165 1.5545 -1.9641 -0.0331 -0.0169 -0.0062
H 3.3761 2.4562 0.7091 -0.0567 0.0243 -0.0097
H 3.8569 3.0119 -0.9549 -0.0706 0.0298 -0.0119
Br -0.7097 -1.3155 1.3221 0.3364 -0.0853 0.2102
P 3.2127 -1.1136 0.5156 0.0244 0.1172 0.0043
H 4.2492 -0.4673 1.1838 -0.0006 0.0316 -0.0018
H 3.8990 -1.4505 -0.6483 0.0069 0.0152 0.0041
H 3.2974 -2.3505 1.1605 0.0042 0.0271 0.0109
C -0.3437 1.6923 -0.3523 -0.1975 -0.2373 0.0025
H -0.4327 2.0448 -1.3702 -0.0599 -0.0525 0.0067
C -1.1774 2.2303 0.5463 -0.3087 -0.3659 0.0032
H -1.1327 1.9799 1.5921 -0.0857 -0.1135 -0.0013
H -1.8816 3.0078 0.2925 -0.0969 -0.1112 0.0062
Sn -2.8107 -0.2118 -0.1448 0.1153 0.4603 -0.1734
H -3.7490 0.8840 0.8101 -0.0817 -0.0334 -0.0139
H -2.4446 0.1934 -1.7864 -0.0879 0.0663 -0.0363
H -3.6341 -1.7572 -0.1535 0.1137 -0.0134 -0.0159
20
Frequency 0.00
Pd 1.1079 0.3099 0.1396 0.4517 0.1189 0.0795
C 2.3304 1.5645 -0.8889 0.1474 0.0291 0.0083
C 3.2318 2.3715 -0.3539 0.1195 0.0665 -0.0012
H 2.2165 1.5545 -1.9641 0.0493 -0.0032 0.0018
H 3.3761 2.4562 0.7091 0.0277 0.0310 -0.0003
H 3.8569 3.0119 -0.9549 0.0345 0.0169 -0.0031
Br -0.7097 -1.3155 1.3221 0.4141 0.1133 0.1179
P 3.2127 -1.1136 0.5156 0.2782 0.1551 0.1938
H 4.2492 -0.4673 1.1838 0.0423 0.0410 0.0347
H 3.8990 -1.4505 -0.6483 0.0593 0.0203 0.0426
H 3.2974 -2.3505 1.1605 0.0537 0.0351 0.0481
C -0.3437 1.6923 -0.3523 0.1335 -0.0073 -0.0522
H -0.4327 2.0448 -1.3702 0.0428 -0.0130 -0.0193
C -1.1774 2.2303 0.5463 0.1036 0.0071 -0.0885
H -1.1327 1.9799 1.5921 0.0252 0.0130 -0.0228
H -1.8816 3.0078 0.2925 0.0269 -0.0048 -0.0378
Sn -2.8107 -0.2118 -0.1448 0.5296 -0.1601 -0.1163
H -3.7490 0.8840 0.8101 0.0365 -0.0107 -0.0276
H -2.4446 0.1934 -1.7864 0.0564 -0.0293 -0.0126
H -3.6341 -1.7572 -0.1535 0.0582 -0.0198 0.0000
20
Frequency 0.00
Pd 1.1079 0.3099 0.1396 -0.0484 -0.1908 0.5679
C 2.3304 1.5645 -0.8889 0.0351 -0.0785 0.2342
C 3.2318 2.3715 -0.3539 0.0158 -0.0789 0.2672
H 2.2165 1.5545 -1.9641 0.0238 -0.0251 0.0665
H 3.3761 2.4562 0.7091 -0.0088 -0.0206 0.0791
H 3.8569 3.0119 -0.9549 0.0131 -0.0252 0.0839
Br -0.7097 -1.3155 1.3221 -0.1966 -0.1172 0.3206
P 3.2127 -1.1136 0.5156 -0.0641 -0.1153 0.4723
H 4.2492 -0.4673 1.1838 -0.0191 -0.0208 0.0969
H 3.8990 -1.4505 -0.6483 0.0027 -0.0245 0.0948
H 3.2974 -2.3505 1.1605 -0.0216 -0.0195 0.0892
C -0.3437 1.6923 -0.3523 0.0123 -0.0606 0.1163
H -0.4327 2.0448 -1.3702 0.0170 -0.0198 0.0318
C -1.1774 2.2303 0.5463 -0.0243 -0.0492 0.0756
H -1.1327 1.9799 1.5921 -0.0207 -0.0119 0.0231
H -1.8816 3.0078 0.2925 -0.0027 -0.0138 0.0112
Sn -2.8107 -0.2118 -0.1448 -0.0204 -0.1460 0.0744
H -3.7490 0.8840 0.8101 -0.0124 -0.0099 -0.0076
H -2.4446 0.1934 -1.7864 0.0195 -0.0178 0.0106
H -3.6341 -1.7572 -0.1535 -0.0041 -0.0123 0.0000
20
Frequency 0.00
Pd 1.1079 0.3099 0.1396 -0.1565 0.3218 0.0166
C 2.3304 1.5645 -0.8889 -0.0200 0.0278 -0.0536
C 3.2318 2.3715 -0.3539 -0.0442 0.0772 -0.0873
H 2.2165 1.5545 -1.9641 0.0060 -0.0183 -0.0165
H 3.3761 2.4562 0.7091 -0.0246 0.0485 -0.0258
H 3.8569 3.0119 -0.9549 -0.0071 0.0087 -0.0340
Br -0.7097 -1.3155 1.3221 -0.2300 0.5116 0.1892
P 3.2127 -1.1136 0.5156 -0.0959 0.2410 0.3284
H 4.2492 -0.4673 1.1838 -0.0256 0.0613 0.0549
H 3.8990 -1.4505 -0.6483 -0.0041 0.0162 0.0750
H 3.2974 -2.3505 1.1605 -0.0226 0.0593 0.0903
C -0.3437 1.6923 -0.3523 -0.0408 0.0596 -0.1653
H -0.4327 2.0448 -1.3702 -0.0012 -0.0076 -0.0575
C -1.1774 2.2303 0.5463 -0.0774 0.1309 -0.2419
H -1.1327 1.9799 1.5921 -0.0336 0.0635 -0.0636
H -1.8816 3.0078 0.2925 -0.0208 0.0308 -0.0968
Sn -2.8107 -0.2118 -0.1448 -0.1234 0.2039 -0.3100
H -3.7490 0.8840 0.8101 -0.0234 0.0407 -0.0655
H -2.4446 0.1934 -1.7864 0.0060 -0.0206 -0.0345
H -3.6341 -1.7572 -0.1535 -0.0091 0.0174 0.0000
20
Frequency 0.00
Pd 1.1079 0.3099 0.1396 -0.0128 -0.0493 -0.0595
C 2.3304 1.5645 -0.8889 -0.0495 -0.1031 -0.1793
C 3.2318 2.3715 -0.3539 -0.0188 -0.0656 -0.2875
H 2.2165 1.5545 -1.9641 -0.0299 -0.0541 -0.0501
H 3.3761 2.4562 0.7091 0.0100 0.0049 -0.0874
H 3.8569 3.0119 -0.9549 -0.0133 -0.0336 -0.1070
Br -0.7097 -1.3155 1.3221 0.1207 0.2191 0.5108
P 3.2127 -1.1136 0.5156 0.0121 0.0042 -0.0218
H 4.2492 -0.4673 1.1838 0.0128 0.0145 -0.0336
H 3.8990 -1.4505 -0.6483 -0.0151 -0.0266 -0.0062
H 3.2974 -2.3505 1.1605 0.0098 0.0153 0.0229
C -0.3437 1.6923 -0.3523 -0.0221 -0.0480 -0.0558
H -0.4327 2.0448 -1.3702 -0.0206 -0.0369 -0.0229
C -1.1774 2.2303 0.5463 0.0254 0.0265 -0.0563
H -1.1327 1.9799 1.5921 0.0221 0.0314 -0.0113
H -1.8816 3.0078 0.2925 0.0048 0.0029 -0.0238
Sn -2.8107 -0.2118 -0.1448 -0.0662 -0.0618 0.6806
H -3.7490 0.8840 0.8101 0.0093 0.0173 0.0515
H -2.4446 0.1934 -1.7864 -0.0293 -0.0435 0.0483
H -3.6341 -1.7572 -0.1535 -0.0084 -0.0047 0.1098
20
Frequency 0.00
Pd 1.1079 0.3099 0.1396 -0.1531 0.4287 0.1726
C 2.3304 1.5645 -0.8889 -0.1381 0.2733 0.1127
C 3.2318 2.3715 -0.3539 -0.1797 0.2974 0.1465
H 2.2165 1.5545 -1.9641 -0.0436 0.0945 0.0329
H 3.3761 2.4562 0.7091 -0.0499 0.0717 0.0433
H 3.8569 3.0119 -0.9549 -0.0652 0.1066 0.0506
Br -0.7097 -1.3155 1.3221 0.1523 -0.0751 -0.0262
P 3.2127 -1.1136 0.5156 0.0603 0.3988 -0.0727
H 4.2492 -0.4673 1.1838 0.0020 0.0792 -0.0063
H 3.8990 -1.4505 -0.6483 0.0127 0.1024 -0.0209
H 3.2974 -2.3505 1.1605 0.0344 0.0632 -0.0332
C -0.3437 1.6923 -0.3523 -0.1394 0.0849 0.1512
H -0.4327 2.0448 -1.3702 -0.0500 0.0393 0.0498
C -1.1774 2.2303 0.5463 -0.1607 -0.0142 0.1907
H -1.1327 1.9799 1.5921 -0.0387 -0.0200 0.0511
H -1.8816 3.0078 0.2925 -0.0609 -0.0122 0.0701
Sn -2.8107 -0.2118 -0.1448 -0.0748 -0.2299 0.2371
H -3.7490 0.8840 0.8101 -0.0225 -0.0526 0.0426
H -2.4446 0.1934 -1.7864 -0.0195 0.0113 0.0271
H -3.6341 -1.7572 -0.1535 0.0197 -0.0352 0.0000
20
Frequency 0.00
Pd 1.1079 0.3099 0.1396 0.1486 0.1763 0.1802
C 2.3304 1.5645 -0.8889 0.0862 0.0722 0.1195
C 3.2318 2.3715 -0.3539 0.1256 0.0040 0.1559
H 2.2165 1.5545 -1.9641 0.0207 0.0410 0.0349
H 3.3761 2.4562 0.7091 0.0416 -0.0190 0.0461
H 3.8569 3.0119 -0.9549 0.0415 0.0044 0.0539
Br -0.7097 -1.3155 1.3221 0.0022 0.1569 -0.0328
P 3.2127 -1.1136 0.5156 -0.0031 -0.0761 -0.0854
H 4.2492 -0.4673 1.1838 0.0095 -0.0374 -0.0082
H 3.8990 -1.4505 -0.6483 -0.0090 -0.0014 -0.0240
H 3.2974 -2.3505 1.1605 -0.0124 -0.0260 -0.0373
C -0.3437 1.6923 -0.3523 0.0985 0.1468 0.1630
H -0.4327 2.0448 -1.3702 0.0287 0.0613 0.0538
C -1.1774 2.2303 0.5463 0.1321 0.1261 0.2065
H -1.1327 1.9799 1.5921 0.0395 0.0178 0.0554
H -1.8816 3.0078 0.2925 0.0463 0.0491 0.0762
Sn -2.8107 -0.2118 -0.1448 0.0794 0.7320 0.2571
H -3.7490 0.8840 0.8101 0.0237 0.0618 0.0465
H -2.4446 0.1934 -1.7864 0.0056 0.0919 0.0293
H -3.6341 -1.7572 -0.1535 -0.0106 0.0772 0.0000
20
Frequency 36.58
Pd 1.1079 0.3099 0.1396 -0.2020 0.1526 0.1483
C 2.3304 1.5645 -0.8889 -0.1044 -0.0290 -0.0869
C 3.2318 2.3715 -0.3539 0.0496 -0.1248 -0.2027
H 2.2165 1.5545 -1.9641 -0.0780 0.0029 -0.0202
H 3.3761 2.4562 0.7091 0.0637 -0.0480 -0.0645
H 3.8569 3.0119 -0.9549 0.0044 -0.0479 -0.0816
Br -0.7097 -1.3155 1.3221 -0.0355 0.1201 0.3351
P 3.2127 -1.1136 0.5156 -0.2126 -0.1697 -0.2907
H 4.2492 -0.4673 1.1838 0.0036 -0.0533 -0.0957
H 3.8990 -1.4505 -0.6483 -0.0899 -0.0590 -0.0747
H 3.2974 -2.3505 1.1605 -0.0487 -0.0277 -0.0455
C -0.3437 1.6923 -0.3523 -0.0497 0.1435 0.2306
H -0.4327 2.0448 -1.3702 -0.0116 0.0827 0.0810
C -1.1774 2.2303 0.5463 -0.0240 0.0516 0.3070
H -1.1327 1.9799 1.5921 -0.0114 -0.0295 0.0785
H -1.8816 3.0078 0.2925 -0.0023 0.0291 0.1198
Sn -2.8107 -0.2118 -0.1448 0.3683 -0.1478 -0.3161
H -3.7490 0.8840 0.8101 -0.0121 -0.0320 -0.0539
H -2.4446 0.1934 -1.7864 0.0915 0.0081 -0.0105
H -3.6341 -1.7572 -0.1535 0.0533 -0.0237 -0.0740
20
Frequency 57.62
Pd 1.1079 0.3099 0.1396 0.0021 0.0256 -0.0762
C 2.3304 1.5645 -0.8889 0.0707 0.1513 0.2295
C 3.2318 2.3715 -0.3539 0.0483 0.0138 0.4778
H 2.2165 1.5545 -1.9641 0.0420 0.1133 0.0641
H 3.3761 2.4562 0.7091 -0.0075 -0.0671 0.1473
H 3.8569 3.0119 -0.9549 0.0304 0.0404 0.1945
Br -0.7097 -1.3155 1.3221 0.1174 0.2622 0.2494
P 3.2127 -1.1136 0.5156 -0.1209 -0.2414 -0.3730
H 4.2492 -0.4673 1.1838 0.0096 -0.1054 -0.0563
H 3.8990 -1.4505 -0.6483 -0.0523 -0.0122 -0.0945
H 3.2974 -2.3505 1.1605 -0.0493 -0.0755 -0.1253
C -0.3437 1.6923 -0.3523 -0.0328 -0.0747 -0.1729
H -0.4327 2.0448 -1.3702 0.0011 -0.0560 -0.0634
C -1.1774 2.2303 0.5463 -0.1293 -0.0239 -0.2896
H -1.1327 1.9799 1.5921 -0.0495 0.0319 -0.0743
H -1.8816 3.0078 0.2925 -0.0441 -0.0257 -0.1233
Sn -2.8107 -0.2118 -0.1448 -0.0089 -0.1118 -0.0054
H -3.7490 0.8840 0.8101 -0.0198 -0.0002 -0.0298
H -2.4446 0.1934 -1.7864 -0.0210 -0.0539 -0.0166
H -3.6341 -1.7572 -0.1535 0.0226 -0.0233 0.0459
20
Frequency 67.74
Pd 1.1079 0.3099 0.1396 -0.0012 0.2642 0.0842
C 2.3304 1.5645 -0.8889 0.0058 0.0608 -0.0102
C 3.2318 2.3715 -0.3539 0.4801 -0.4209 -0.0776
H 2.2165 1.5545 -1.9641 -0.1179 0.1392 0.0092
H 3.3761 2.4562 0.7091 0.2704 -0.2440 -0.0303
H 3.8569 3.0119 -0.9549 0.1294 -0.1176 -0.0279
Br -0.7097 -1.3155 1.3221 0.2486 -0.0676 -0.1682
P 3.2127 -1.1136 0.5156 -0.1304 0.0530 0.1294
H 4.2492 -0.4673 1.1838 0.0198 0.0053 -0.0404
H 3.8990 -1.4505 -0.6483 -0.0709 -0.0813 0.0220
H 3.2974 -2.3505 1.1605 -0.0573 0.0412 0.0878
C -0.3437 1.6923 -0.3523 -0.1114 -0.0352 -0.0253
H -0.4327 2.0448 -1.3702 -0.0301 -0.0088 -0.0075
C -1.1774 2.2303 0.5463 -0.2286 -0.1395 -0.0624
H -1.1327 1.9799 1.5921 -0.0690 -0.0379 -0.0174
H -1.8816 3.0078 0.2925 -0.0835 -0.0583 -0.0255
Sn -2.8107 -0.2118 -0.1448 -0.1702 -0.0135 0.0462
H -3.7490 0.8840 0.8101 -0.0396 -0.0410 0.0280
H -2.4446 0.1934 -1.7864 -0.0729 0.0215 -0.0042
H -3.6341 -1.7572 -0.1535 0.0336 -0.0275 0.0062
20
Frequency 76.38
Pd 1.1079 0.3099 0.1396 0.2100 -0.1090 0.3274
C 2.3304 1.5645 -0.8889 0.0258 -0.0584 0.0163
C 3.2318 2.3715 -0.3539 0.1294 -0.1105 -0.0791
H 2.2165 1.5545 -1.9641 -0.0293 -0.0087 0.0086
H 3.3761 2.4562 0.7091 0.0772 -0.0402 -0.0276
H 3.8569 3.0119 -0.9549 0.0236 -0.0362 -0.0417
Br -0.7097 -1.3155 1.3221 -0.2740 0.0905 0.1309
P 3.2127 -1.1136 0.5156 0.4651 0.2630 -0.3857
H 4.2492 -0.4673 1.1838 0.0940 0.0919 -0.1293
H 3.8990 -1.4505 -0.6483 0.0206 0.1071 -0.1238
H 3.2974 -2.3505 1.1605 0.1978 0.0389 -0.0995
C -0.3437 1.6923 -0.3523 0.0490 -0.0766 0.0489
H -0.4327 2.0448 -1.3702 0.0318 -0.0271 0.0108
C -1.1774 2.2303 0.5463 -0.0317 -0.0828 -0.0221
H -1.1327 1.9799 1.5921 -0.0290 -0.0171 -0.0040
H -1.8816 3.0078 0.2925 -0.0072 -0.0286 -0.0261
Sn -2.8107 -0.2118 -0.1448 -0.2940 -0.0081 -0.1594
H -3.7490 0.8840 0.8101 -0.0332 0.0110 -0.0340
H -2.4446 0.1934 -1.7864 -0.0071 -0.0092 -0.0125
H -3.6341 -1.7572 -0.1535 -0.0275 0.0001 -0.0109
20
Frequency 85.86
Pd 1.1079 0.3099 0.1396 0.2875 0.2295 0.4072
C 2.3304 1.5645 -0.8889 0.0390 -0.0399 -0.0748
C 3.2318 2.3715 -0.3539 -0.1563 0.2902 -0.2495
H 2.2165 1.5545 -1.9641 0.0425 -0.1172 -0.0247
H 3.3761 2.4562 0.7091 -0.0793 0.1900 -0.0764
H 3.8569 3.0119 -0.9549 -0.0586 0.0565 -0.1158
Br -0.7097 -1.3155 1.3221 0.1105 -0.0093 -0.1633
P 3.2127 -1.1136 0.5156 -0.1280 -0.3866 -0.0547
H 4.2492 -0.4673 1.1838 0.0935 -0.1219 -0.1400
H 3.8990 -1.4505 -0.6483 -0.1534 -0.2001 -0.0500
H 3.2974 -2.3505 1.1605 -0.0767 -0.0398 0.0536
C -0.3437 1.6923 -0.3523 0.0507 -0.0350 -0.0269
H -0.4327 2.0448 -1.3702 0.0335 -0.0254 -0.0146
C -1.1774 2.2303 0.5463 -0.1200 -0.0990 -0.1416
H -1.1327 1.9799 1.5921 -0.0562 -0.0096 -0.0355
H -1.8816 3.0078 0.2925 -0.0483 -0.0512 -0.0732
Sn -2.8107 -0.2118 -0.1448 -0.1999 -0.0165 -0.0234
H -3.7490 0.8840 0.8101 -0.0239 -0.0160 0.0097
H -2.4446 0.1934 -1.7864 -0.0442 0.0057 -0.0067
H -3.6341 -1.7572 -0.1535 0.0042 -0.0133 0.0050
20
Frequency 102.49
Pd 1.1079 0.3099 0.1396 0.2628 -0.0174 -0.3183
C 2.3304 1.5645 -0.8889 0.1180 0.0358 -0.0239
C 3.2318 2.3715 -0.3539 0.0440 0.0728 0.0468
H 2.2165 1.5545 -1.9641 0.0613 0.0061 -0.0100
H 3.3761 2.4562 0.7091 -0.0158 0.0261 0.0170
H 3.8569 3.0119 -0.9549 0.0226 0.0249 0.0277
Br -0.7097 -1.3155 1.3221 0.0533 0.3610 0.0928
P 3.2127 -1.1136 0.5156 0.0448 -0.1524 0.1519
H 4.2492 -0.4673 1.1838 -0.0501 -0.0535 0.1438
H 3.8990 -1.4505 -0.6483 0.1123 0.0142 0.0768
H 3.2974 -2.3505 1.1605 -0.0514 -0.0496 -0.0080
C -0.3437 1.6923 -0.3523 0.0492 0.0714 0.2113
H -0.4327 2.0448 -1.3702 0.0194 0.1205 0.0957
C -1.1774 2.2303 0.5463 -0.0517 -0.3200 0.3617
H -1.1327 1.9799 1.5921 -0.0173 -0.1915 0.0810
H -1.8816 3.0078 0.2925 -0.0251 -0.0793 0.1741
Sn -2.8107 -0.2118 -0.1448 -0.3587 -0.1308 -0.0926
H -3.7490 0.8840 0.8101 -0.0723 -0.0420 -0.0120
H -2.4446 0.1934 -1.7864 -0.0268 0.0280 0.0026
H -3.6341 -1.7572 -0.1535 0.0208 -0.0391 -0.0310
20
Frequency 133.39
Pd 1.1079 0.3099 0.1396 -0.1531 -0.0234 0.2332
C 2.3304 1.5645 -0.8889 0.1721 -0.2878 -0.0000
C 3.2318 2.3715 -0.3539 0.0349 -0.0891 -0.0688
H 2.2165 1.5545 -1.9641 0.1435 -0.2114 -0.0097
H 3.3761 2.4562 0.7091 -0.0811 0.0997 -0.0176
H 3.8569 3.0119 -0.9549 0.0644 -0.1004 -0.0430
Br -0.7097 -1.3155 1.3221 0.2490 0.1364 -0.1764
P 3.2127 -1.1136 0.5156 -0.1408 0.0838 -0.1091
H 4.2492 -0.4673 1.1838 -0.1882 -0.1024 0.3489
H 3.8990 -1.4505 -0.6483 0.2004 0.3992 0.0048
H 3.2974 -2.3505 1.1605 -0.0501 -0.1610 -0.3531
C -0.3437 1.6923 -0.3523 0.0142 0.0644 0.0214
H -0.4327 2.0448 -1.3702 0.0281 0.0197 0.0044
C -1.1774 2.2303 0.5463 -0.0761 0.0600 -0.0568
H -1.1327 1.9799 1.5921 -0.0491 0.0199 -0.0145
H -1.8816 3.0078 0.2925 -0.0160 0.0170 -0.0357
Sn -2.8107 -0.2118 -0.1448 -0.0357 -0.0459 0.0202
H -3.7490 0.8840 0.8101 -0.0060 -0.0216 0.0187
H -2.4446 0.1934 -1.7864 -0.0207 0.0087 0.0014
H -3.6341 -1.7572 -0.1535 0.0219 -0.0173 0.0046
20
Frequency 143.32
Pd 1.1079 0.3099 0.1396 -0.2046 -0.3332 0.1595
C 2.3304 1.5645 -0.8889 -0.0407 -0.1215 0.0654
C 3.2318 2.3715 -0.3539 -0.0967 -0.0783 0.0947
H 2.2165 1.5545 -1.9641 -0.0012 -0.0339 0.0175
H 3.3761 2.4562 0.7091 -0.0388 -0.0237 0.0292
H 3.8569 3.0119 -0.9549 -0.0317 -0.0113 0.0358
Br -0.7097 -1.3155 1.3221 0.3034 0.5166 -0.3594
P 3.2127 -1.1136 0.5156 -0.0130 0.0824 0.0046
H 4.2492 -0.4673 1.1838 0.0861 0.1336 -0.2548
H 3.8990 -1.4505 -0.6483 -0.1627 -0.1861 -0.0366
H 3.2974 -2.3505 1.1605 0.0899 0.1237 0.1989
C -0.3437 1.6923 -0.3523 -0.0045 -0.0180 0.0794
H -0.4327 2.0448 -1.3702 0.0023 -0.0029 0.0234
C -1.1774 2.2303 0.5463 0.1052 0.1024 0.1060
H -1.1327 1.9799 1.5921 0.0287 0.0270 0.0302
H -1.8816 3.0078 0.2925 0.0547 0.0535 0.0362
Sn -2.8107 -0.2118 -0.1448 -0.0373 -0.1137 0.0184
H -3.7490 0.8840 0.8101 0.0054 -0.0200 0.0202
H -2.4446 0.1934 -1.7864 -0.0176 0.0128 0.0053
H -3.6341 -1.7572 -0.1535 0.0172 -0.0208 0.0047
20
Frequency 159.07
Pd 1.1079 0.3099 0.1396 -0.1202 -0.0100 0.0925
C 2.3304 1.5645 -0.8889 -0.3457 0.2239 -0.0222
C 3.2318 2.3715 -0.3539 -0.0756 -0.0250 -0.1020
H 2.2165 1.5545 -1.9641 -0.2218 0.1751 0.0058
H 3.3761 2.4562 0.7091 0.1002 -0.1124 -0.0376
H 3.8569 3.0119 -0.9549 -0.0752 0.0369 -0.0381
Br -0.7097 -1.3155 1.3221 -0.0778 0.2505 -0.2203
P 3.2127 -1.1136 0.5156 0.4221 -0.3924 0.1241
H 4.2492 -0.4673 1.1838 0.0076 -0.1363 0.1970
H 3.8990 -1.4505 -0.6483 0.1918 0.0947 0.0427
H 3.2974 -2.3505 1.1605 0.0532 -0.1493 -0.1257
C -0.3437 1.6923 -0.3523 -0.0986 -0.0988 0.0183
H -0.4327 2.0448 -1.3702 -0.0379 -0.0715 -0.0085
C -1.1774 2.2303 0.5463 -0.0752 0.0228 -0.0382
H -1.1327 1.9799 1.5921 -0.0159 0.0492 -0.0015
H -1.8816 3.0078 0.2925 -0.0265 -0.0080 -0.0417
Sn -2.8107 -0.2118 -0.1448 0.1499 -0.0199 0.0725
H -3.7490 0.8840 0.8101 0.0038 -0.0186 0.0175
H -2.4446 0.1934 -1.7864 -0.0109 0.0134 0.0041
H -3.6341 -1.7572 -0.1535 0.0145 -0.0039 -0.0092
20
Frequency 161.30
Pd 1.1079 0.3099 0.1396 -0.0758 0.0032 0.0249
C 2.3304 1.5645 -0.8889 -0.1223 0.0827 -0.0018
C 3.2318 2.3715 -0.3539 -0.0370 -0.0055 -0.0104
H 2.2165 1.5545 -1.9641 -0.0730 0.0666 0.0030
H 3.3761 2.4562 0.7091 0.0276 -0.0417 -0.0049
H 3.8569 3.0119 -0.9549 -0.0278 0.0171 -0.0010
Br -0.7097 -1.3155 1.3221 0.4947 -0.2163 0.2759
P 3.2127 -1.1136 0.5156 0.1287 -0.1232 0.0475
H 4.2492 -0.4673 1.1838 0.0088 -0.0375 0.0475
H 3.8990 -1.4505 -0.6483 0.0533 0.0090 0.0168
H 3.2974 -2.3505 1.1605 0.0159 -0.0376 -0.0200
C -0.3437 1.6923 -0.3523 0.0215 0.0446 0.0073
H -0.4327 2.0448 -1.3702 -0.0129 -0.0270 -0.0106
C -1.1774 2.2303 0.5463 0.2659 0.3595 0.0371
H -1.1327 1.9799 1.5921 0.0988 0.1418 0.0188
H -1.8816 3.0078 0.2925 0.1059 0.1278 0.0023
Sn -2.8107 -0.2118 -0.1448 -0.4479 0.0569 -0.2811
H -3.7490 0.8840 0.8101 0.0109 0.0374 -0.0167
H -2.4446 0.1934 -1.7864 -0.0012 0.0089 -0.0130
H -3.6341 -1.7572 -0.1535 -0.0276 0.0042 0.0043
20
Frequency 181.56
Pd 1.1079 0.3099 0.1396 -0.3612 0.2833 -0.1220
C 2.3304 1.5645 -0.8889 0.1994 -0.2466 -0.0286
C 3.2318 2.3715 -0.3539 -0.0112 -0.1102 0.1179
H 2.2165 1.5545 -1.9641 0.2118 -0.1955 -0.0241
H 3.3761 2.4562 0.7091 -0.1636 0.0830 0.0468
H 3.8569 3.0119 -0.9549 0.1045 -0.1149 0.0578
Br -0.7097 -1.3155 1.3221 0.0486 -0.1074 0.0440
P 3.2127 -1.1136 0.5156 0.4796 -0.2559 0.0680
H 4.2492 -0.4673 1.1838 0.1214 0.0418 -0.1272
H 3.8990 -1.4505 -0.6483 0.0062 -0.1119 -0.0181
H 3.2974 -2.3505 1.1605 0.1921 0.0043 0.0977
C -0.3437 1.6923 -0.3523 -0.0223 0.1891 -0.0109
H -0.4327 2.0448 -1.3702 0.0187 0.0934 0.0090
C -1.1774 2.2303 0.5463 -0.1727 -0.0180 -0.0213
H -1.1327 1.9799 1.5921 -0.0741 -0.0438 -0.0144
H -1.8816 3.0078 0.2925 -0.0582 -0.0093 0.0038
Sn -2.8107 -0.2118 -0.1448 0.0246 0.0334 0.0228
H -3.7490 0.8840 0.8101 -0.0121 -0.0305 0.0268
H -2.4446 0.1934 -1.7864 -0.0108 0.0327 0.0062
H -3.6341 -1.7572 -0.1535 0.0250 -0.0090 -0.0272
20
Frequency 214.26
Pd 1.1079 0.3099 0.1396 0.0738 -0.0247 -0.0298
C 2.3304 1.5645 -0.8889 0.0255 -0.0052 -0.0054
C 3.2318 2.3715 -0.3539 0.0067 0.0076 0.0065
H 2.2165 1.5545 -1.9641 0.0118 -0.0039 -0.0019
H 3.3761 2.4562 0.7091 -0.0038 0.0043 0.0025
H 3.8569 3.0119 -0.9549 0.0023 0.0037 0.0040
Br -0.7097 -1.3155 1.3221 -0.0859 0.0223 0.0739
P 3.2127 -1.1136 0.5156 -0.0201 0.0162 -0.0071
H 4.2492 -0.4673 1.1838 -0.0044 0.0016 0.0009
H 3.8990 -1.4505 -0.6483 0.0002 -0.0073 0.0040
H 3.2974 -2.3505 1.1605 -0.0152 0.0063 0.0064
C -0.3437 1.6923 -0.3523 -0.0222 -0.0231 -0.0159
H -0.4327 2.0448 -1.3702 -0.0278 -0.0516 -0.0185
C -1.1774 2.2303 0.5463 0.0306 0.1272 -0.0527
H -1.1327 1.9799 1.5921 0.0213 0.0819 -0.0055
H -1.8816 3.0078 0.2925 0.0088 0.0294 -0.0423
Sn -2.8107 -0.2118 -0.1448 0.0016 -0.0454 -0.0088
H -3.7490 0.8840 0.8101 0.0083 -0.3778 0.4359
H -2.4446 0.1934 -1.7864 -0.2719 0.5304 0.0683
H -3.6341 -1.7572 -0.1535 0.2246 -0.1199 -0.4303
20
Frequency 256.29
Pd 1.1079 0.3099 0.1396 0.0274 -0.2764 -0.0731
C 2.3304 1.5645 -0.8889 -0.0536 0.0803 0.0954
C 3.2318 2.3715 -0.3539 0.0336 0.0935 -0.0757
H 2.2165 1.5545 -1.9641 -0.1004 0.0651 0.0355
H 3.3761 2.4562 0.7091 0.1011 -0.0003 -0.0326
H 3.8569 3.0119 -0.9549 -0.0587 0.0583 -0.0599
Br -0.7097 -1.3155 1.3221 0.0464 -0.0520 0.0344
P 3.2127 -1.1136 0.5156 -0.0194 -0.0010 -0.0139
H 4.2492 -0.4673 1.1838 -0.0743 0.1006 0.0088
H 3.8990 -1.4505 -0.6483 0.0751 -0.0409 0.0555
H 3.2974 -2.3505 1.1605 0.0289 0.0498 0.0886
C -0.3437 1.6923 -0.3523 0.2867 0.4174 0.2557
H -0.4327 2.0448 -1.3702 0.2551 0.2020 0.0854
C -1.1774 2.2303 0.5463 -0.3785 0.1827 -0.2127
H -1.1327 1.9799 1.5921 -0.3168 0.0096 -0.0630
H -1.8816 3.0078 0.2925 -0.0608 0.0623 -0.1715
Sn -2.8107 -0.2118 -0.1448 -0.0081 0.0122 0.0328
H -3.7490 0.8840 0.8101 -0.0155 -0.0171 0.0077
H -2.4446 0.1934 -1.7864 0.0540 0.0001 0.0158
H -3.6341 -1.7572 -0.1535 0.0065 -0.0028 -0.0230
20
Frequency 282.82
Pd 1.1079 0.3099 0.1396 -0.0187 0.1392 0.1135
C 2.3304 1.5645 -0.8889 -0.2687 -0.0619 -0.1857
C 3.2318 2.3715 -0.3539 -0.2938 -0.2523 0.1093
H 2.2165 1.5545 -1.9641 -0.1103 0.0751 -0.0486
H 3.3761 2.4562 0.7091 -0.0964 -0.1975 0.0432
H 3.8569 3.0119 -0.9549 -0.0825 0.0005 0.1141
Br -0.7097 -1.3155 1.3221 0.0514 -0.0135 0.0106
P 3.2127 -1.1136 0.5156 -0.0619 0.0461 0.0091
H 4.2492 -0.4673 1.1838 0.0015 -0.0031 -0.0050
H 3.8990 -1.4505 -0.6483 -0.0389 0.0750 -0.0339
H 3.2974 -2.3505 1.1605 0.0402 -0.0198 -0.0583
C -0.3437 1.6923 -0.3523 0.4204 0.2013 -0.2072
H -0.4327 2.0448 -1.3702 0.1995 0.1884 -0.0195
C -1.1774 2.2303 0.5463 0.2098 -0.3178 -0.1132
H -1.1327 1.9799 1.5921 0.0182 -0.2437 -0.0673
H -1.8816 3.0078 0.2925 0.0711 -0.0557 0.0519
Sn -2.8107 -0.2118 -0.1448 -0.0149 0.0060 0.0045
H -3.7490 0.8840 0.8101 0.0452 -0.0223 0.0720
H -2.4446 0.1934 -1.7864 -0.0323 0.0601 0.0087
H -3.6341 -1.7572 -0.1535 -0.0037 0.0032 -0.0429
20
Frequency 291.93
Pd 1.1079 0.3099 0.1396 0.4115 0.0855 -0.0269
C 2.3304 1.5645 -0.8889 -0.1250 -0.2033 -0.2882
C 3.2318 2.3715 -0.3539 -0.3249 -0.3233 0.1837
H 2.2165 1.5545 -1.9641 0.0069 -0.0181 -0.0855
H 3.3761 2.4562 0.7091 -0.2047 -0.1874 0.0759
H 3.8569 3.0119 -0.9549 -0.0422 -0.0307 0.1762
Br -0.7097 -1.3155 1.3221 -0.0391 -0.0106 -0.0352
P 3.2127 -1.1136 0.5156 -0.0125 0.0504 -0.0221
H 4.2492 -0.4673 1.1838 -0.0123 -0.0205 0.0404
H 3.8990 -1.4505 -0.6483 0.0479 -0.0588 0.0457
H 3.2974 -2.3505 1.1605 -0.1045 0.0259 0.0403
C -0.3437 1.6923 -0.3523 -0.2181 -0.0009 0.1952
H -0.4327 2.0448 -1.3702 -0.0914 -0.0612 0.0356
C -1.1774 2.2303 0.5463 -0.2386 0.2690 0.0398
H -1.1327 1.9799 1.5921 -0.0881 0.1656 0.0338
H -1.8816 3.0078 0.2925 -0.0712 0.0518 -0.0660
Sn -2.8107 -0.2118 -0.1448 -0.0093 -0.0008 -0.0008
H -3.7490 0.8840 0.8101 -0.0363 0.0166 -0.0535
H -2.4446 0.1934 -1.7864 0.0356 -0.0457 -0.0033
H -3.6341 -1.7572 -0.1535 -0.0067 0.0015 0.0267
20
Frequency 396.90
Pd 1.1079 0.3099 0.1396 -0.0295 0.1168 0.1082
C 2.3304 1.5645 -0.8889 0.0007 0.0115 -0.0220
C 3.2318 2.3715 -0.3539 -0.0016 -0.0053 0.0095
H 2.2165 1.5545 -1.9641 0.0158 -0.0023 -0.0077
H 3.3761 2.4562 0.7091 -0.0161 0.0015 0.0049
H 3.8569 3.0119 -0.9549 0.0173 -0.0103 0.0118
Br -0.7097 -1.3155 1.3221 0.0074 0.0031 -0.0049
P 3.2127 -1.1136 0.5156 -0.0801 -0.1682 -0.2740
H 4.2492 -0.4673 1.1838 -0.4073 0.4224 0.1238
H 3.8990 -1.4505 -0.6483 0.4581 -0.1345 0.2604
H 3.2974 -2.3505 1.1605 0.1236 0.1772 0.3310
C -0.3437 1.6923 -0.3523 0.0568 -0.1066 -0.0129
H -0.4327 2.0448 -1.3702 -0.0234 -0.0958 -0.0219
C -1.1774 2.2303 0.5463 0.0845 -0.0875 -0.0174
H -1.1327 1.9799 1.5921 0.0731 0.0275 0.0052
H -1.8816 3.0078 0.2925 -0.0181 -0.0688 -0.0189
Sn -2.8107 -0.2118 -0.1448 -0.0030 0.0018 -0.0071
H -3.7490 0.8840 0.8101 0.0094 0.0080 -0.0001
H -2.4446 0.1934 -1.7864 0.0099 0.0083 0.0037
H -3.6341 -1.7572 -0.1535 -0.0123 0.0074 -0.0101
20
Frequency 437.78
Pd 1.1079 0.3099 0.1396 0.0771 0.0409 -0.0699
C 2.3304 1.5645 -0.8889 0.0207 0.0554 -0.1074
C 3.2318 2.3715 -0.3539 -0.0031 0.0148 0.0030
H 2.2165 1.5545 -1.9641 0.0057 0.0528 -0.0318
H 3.3761 2.4562 0.7091 -0.0173 -0.0304 0.0061
H 3.8569 3.0119 -0.9549 0.0121 0.0229 0.0340
Br -0.7097 -1.3155 1.3221 0.0256 -0.0067 0.0045
P 3.2127 -1.1136 0.5156 -0.2169 -0.1910 0.1970
H 4.2492 -0.4673 1.1838 -0.1069 0.3004 -0.1840
H 3.8990 -1.4505 -0.6483 -0.2052 0.3787 -0.1822
H 3.2974 -2.3505 1.1605 0.6063 -0.0745 -0.1315
C -0.3437 1.6923 -0.3523 0.0408 -0.0791 0.1360
H -0.4327 2.0448 -1.3702 -0.0386 -0.1218 0.0104
C -1.1774 2.2303 0.5463 -0.0413 0.0018 0.0084
H -1.1327 1.9799 1.5921 0.0144 0.1132 0.0278
H -1.8816 3.0078 0.2925 -0.0677 -0.0758 -0.0770
Sn -2.8107 -0.2118 -0.1448 -0.0118 0.0113 0.0051
H -3.7490 0.8840 0.8101 -0.0359 0.0015 -0.0344
H -2.4446 0.1934 -1.7864 0.1153 0.0202 0.0321
H -3.6341 -1.7572 -0.1535 -0.0226 0.0137 -0.0812
20
Frequency 476.59
Pd 1.1079 0.3099 0.1396 -0.1874 0.0345 -0.0281
C 2.3304 1.5645 -0.8889 0.0099 0.1175 -0.1542
C 3.2318 2.3715 -0.3539 0.0337 -0.0045 0.0143
H 2.2165 1.5545 -1.9641 0.0900 0.0033 -0.0553
H 3.3761 2.4562 0.7091 -0.0839 0.0129 0.0159
H 3.8569 3.0119 -0.9549 0.1071 -0.0517 0.0507
Br -0.7097 -1.3155 1.3221 0.0368 0.0077 -0.0147
P 3.2127 -1.1136 0.5156 0.0457 0.1071 -0.0166
H 4.2492 -0.4673 1.1838 0.0890 -0.1473 0.0333
H 3.8990 -1.4505 -0.6483 -0.0070 -0.1006 0.0216
H 3.2974 -2.3505 1.1605 -0.1984 0.0031 -0.0026
C -0.3437 1.6923 -0.3523 0.3327 -0.2288 0.2837
H -0.4327 2.0448 -1.3702 0.0646 -0.2318 0.0310
C -1.1774 2.2303 0.5463 0.0689 -0.1064 -0.0709
H -1.1327 1.9799 1.5921 0.0186 0.1663 0.0262
H -1.8816 3.0078 0.2925 -0.0410 -0.1418 -0.1906
Sn -2.8107 -0.2118 -0.1448 -0.0437 0.0190 0.0605
H -3.7490 0.8840 0.8101 -0.1991 -0.0324 -0.1475
H -2.4446 0.1934 -1.7864 0.4449 0.0599 0.1244
H -3.6341 -1.7572 -0.1535 -0.0013 0.0034 -0.3137
20
Frequency 492.12
Pd 1.1079 0.3099 0.1396 -0.0970 0.0116 0.0028
C 2.3304 1.5645 -0.8889 0.0757 0.0861 -0.1746
C 3.2318 2.3715 -0.3539 0.0361 0.0273 0.0107
H 2.2165 1.5545 -1.9641 0.0670 0.0395 -0.0568
H 3.3761 2.4562 0.7091 -0.0487 -0.0204 0.0139
H 3.8569 3.0119 -0.9549 0.0553 0.0171 0.0584
Br -0.7097 -1.3155 1.3221 0.0314 0.0325 0.0440
P 3.2127 -1.1136 0.5156 0.0021 0.0281 0.0066
H 4.2492 -0.4673 1.1838 0.0267 -0.0400 0.0041
H 3.8990 -1.4505 -0.6483 -0.0130 -0.0171 -0.0007
H 3.2974 -2.3505 1.1605 -0.0407 -0.0038 -0.0083
C -0.3437 1.6923 -0.3523 0.0682 -0.1930 0.2356
H -0.4327 2.0448 -1.3702 0.0722 -0.0739 0.0587
C -1.1774 2.2303 0.5463 -0.0428 -0.0547 -0.0023
H -1.1327 1.9799 1.5921 -0.1249 0.0063 0.0079
H -1.8816 3.0078 0.2925 0.0011 -0.0348 -0.0949
Sn -2.8107 -0.2118 -0.1448 0.0247 -0.0279 -0.1018
H -3.7490 0.8840 0.8101 0.5605 0.1120 0.3965
H -2.4446 0.1934 -1.7864 -0.1558 -0.0066 -0.0431
H -3.6341 -1.7572 -0.1535 -0.4392 0.2306 0.0896
20
Frequency 509.61
Pd 1.1079 0.3099 0.1396 0.1585 0.0211 -0.0857
C 2.3304 1.5645 -0.8889 -0.2585 -0.1316 0.4078
C 3.2318 2.3715 -0.3539 -0.0733 -0.1026 -0.0156
H 2.2165 1.5545 -1.9641 -0.0835 -0.1549 0.1212
H 3.3761 2.4562 0.7091 0.0263 0.1249 -0.0245
H 3.8569 3.0119 -0.9549 -0.0148 -0.1623 -0.1376
Br -0.7097 -1.3155 1.3221 0.0694 0.0330 0.0207
P 3.2127 -1.1136 0.5156 -0.0085 0.0046 -0.0070
H 4.2492 -0.4673 1.1838 -0.0025 0.0075 -0.0067
H 3.8990 -1.4505 -0.6483 -0.0005 -0.0056 0.0005
H 3.2974 -2.3505 1.1605 0.0012 0.0042 0.0051
C -0.3437 1.6923 -0.3523 -0.1124 0.1553 -0.1520
H -0.4327 2.0448 -1.3702 -0.1432 -0.0131 -0.0565
C -1.1774 2.2303 0.5463 -0.0674 -0.0541 0.0023
H -1.1327 1.9799 1.5921 0.0928 0.0054 0.0009
H -1.8816 3.0078 0.2925 -0.1451 -0.1123 0.0496
Sn -2.8107 -0.2118 -0.1448 -0.0331 -0.0001 0.0022
H -3.7490 0.8840 0.8101 0.1686 0.0245 0.1324
H -2.4446 0.1934 -1.7864 0.3837 0.0326 0.1013
H -3.6341 -1.7572 -0.1535 -0.3404 0.1774 -0.3133
20
Frequency 532.46
Pd 1.1079 0.3099 0.1396 -0.0720 -0.1181 0.1542
C 2.3304 1.5645 -0.8889 0.3844 -0.0707 -0.3168
C 3.2318 2.3715 -0.3539 0.0395 0.1405 0.0061
H 2.2165 1.5545 -1.9641 -0.0321 0.2175 -0.0777
H 3.3761 2.4562 0.7091 0.1135 -0.2159 0.0096
H 3.8569 3.0119 -0.9549 -0.1932 0.3471 0.1144
Br -0.7097 -1.3155 1.3221 0.0336 0.0027 -0.0022
P 3.2127 -1.1136 0.5156 0.0368 -0.0211 -0.0151
H 4.2492 -0.4673 1.1838 -0.0139 -0.0029 0.0284
H 3.8990 -1.4505 -0.6483 0.0319 -0.0066 0.0155
H 3.2974 -2.3505 1.1605 -0.0133 0.0004 0.0085
C -0.3437 1.6923 -0.3523 -0.2242 0.1430 -0.2277
H -0.4327 2.0448 -1.3702 -0.0640 0.0982 -0.0474
C -1.1774 2.2303 0.5463 -0.0653 0.0144 0.0031
H -1.1327 1.9799 1.5921 0.0220 -0.0984 -0.0241
H -1.8816 3.0078 0.2925 -0.0151 0.0459 0.1160
Sn -2.8107 -0.2118 -0.1448 -0.0235 0.0057 0.0334
H -3.7490 0.8840 0.8101 0.0138 -0.0189 0.0357
H -2.4446 0.1934 -1.7864 0.3386 0.0080 0.0867
H -3.6341 -1.7572 -0.1535 -0.1571 0.0808 -0.2592
20
Frequency 591.43
Pd 1.1079 0.3099 0.1396 0.0686 -0.2036 0.1403
C 2.3304 1.5645 -0.8889 -0.1757 0.4742 -0.2651
C 3.2318 2.3715 -0.3539 0.1198 0.0020 0.0021
H 2.2165 1.5545 -1.9641 0.2017 -0.0720 -0.1031
H 3.3761 2.4562 0.7091 -0.2560 0.1489 0.0288
H 3.8569 3.0119 -0.9549 0.4024 -0.2896 0.0728
Br -0.7097 -1.3155 1.3221 0.0045 0.0037 -0.0045
P 3.2127 -1.1136 0.5156 -0.0273 -0.0197 -0.0034
H 4.2492 -0.4673 1.1838 -0.0229 0.0354 -0.0109
H 3.8990 -1.4505 -0.6483 0.0064 0.0070 0.0021
H 3.2974 -2.3505 1.1605 0.0297 0.0075 0.0132
C -0.3437 1.6923 -0.3523 -0.1848 0.0967 -0.1856
H -0.4327 2.0448 -1.3702 0.0215 0.1574 -0.0138
C -1.1774 2.2303 0.5463 -0.0422 0.0515 -0.0101
H -1.1327 1.9799 1.5921 -0.0583 -0.1470 -0.0391
H -1.8816 3.0078 0.2925 0.0836 0.1374 0.1059
Sn -2.8107 -0.2118 -0.1448 -0.0073 0.0045 0.0186
H -3.7490 0.8840 0.8101 -0.0175 -0.0250 0.0129
H -2.4446 0.1934 -1.7864 0.1089 -0.0198 0.0228
H -3.6341 -1.7572 -0.1535 -0.0327 0.0148 -0.0891
20
Frequency 619.09
Pd 1.1079 0.3099 0.1396 -0.0329 -0.1720 0.0830
C 2.3304 1.5645 -0.8889 0.0241 0.1213 -0.1449
C 3.2318 2.3715 -0.3539 0.0379 0.0290 -0.0003
H 2.2165 1.5545 -1.9641 0.0360 0.0360 -0.0446
H 3.3761 2.4562 0.7091 -0.0486 -0.0115 0.0096
H 3.8569 3.0119 -0.9549 0.0674 -0.0028 0.0465
Br -0.7097 -1.3155 1.3221 -0.0049 0.0008 0.0055
P 3.2127 -1.1136 0.5156 0.0195 0.0314 0.0009
H 4.2492 -0.4673 1.1838 0.0299 -0.0429 0.0059
H 3.8990 -1.4505 -0.6483 -0.0070 -0.0256 0.0025
H 3.2974 -2.3505 1.1605 -0.0470 -0.0018 -0.0060
C -0.3437 1.6923 -0.3523 0.1557 0.4480 -0.0719
H -0.4327 2.0448 -1.3702 -0.2698 -0.1638 -0.0972
C -1.1774 2.2303 0.5463 -0.0530 -0.0355 0.0538
H -1.1327 1.9799 1.5921 0.3327 0.2555 0.0636
H -1.8816 3.0078 0.2925 -0.4136 -0.3761 -0.0025
Sn -2.8107 -0.2118 -0.1448 0.0098 -0.0090 -0.0404
H -3.7490 0.8840 0.8101 0.0550 0.0438 -0.0003
H -2.4446 0.1934 -1.7864 -0.1717 0.0369 -0.0338
H -3.6341 -1.7572 -0.1535 0.0321 -0.0126 0.1613
20
Frequency 720.47
Pd 1.1079 0.3099 0.1396 0.0013 0.0069 -0.0062
C 2.3304 1.5645 -0.8889 -0.0074 -0.0050 0.0080
C 3.2318 2.3715 -0.3539 -0.0044 -0.0034 -0.0004
H 2.2165 1.5545 -1.9641 0.0005 -0.0001 0.0016
H 3.3761 2.4562 0.7091 0.0023 -0.0016 -0.0005
H 3.8569 3.0119 -0.9549 -0.0016 -0.0020 -0.0017
Br -0.7097 -1.3155 1.3221 -0.0340 -0.0013 -0.0115
P 3.2127 -1.1136 0.5156 -0.0001 -0.0007 0.0019
H 4.2492 -0.4673 1.1838 0.0020 0.0011 -0.0034
H 3.8990 -1.4505 -0.6483 0.0001 0.0034 -0.0011
H 3.2974 -2.3505 1.1605 0.0046 -0.0005 -0.0018
C -0.3437 1.6923 -0.3523 0.0283 0.0017 0.0123
H -0.4327 2.0448 -1.3702 -0.0233 -0.0327 -0.0065
C -1.1774 2.2303 0.5463 0.0090 -0.0159 0.0111
H -1.1327 1.9799 1.5921 0.0363 0.0227 0.0076
H -1.8816 3.0078 0.2925 -0.0107 -0.0143 0.0030
Sn -2.8107 -0.2118 -0.1448 -0.0606 0.0976 -0.0587
H -3.7490 0.8840 0.8101 0.1274 -0.3470 0.5089
H -2.4446 0.1934 -1.7864 0.3760 -0.4865 -0.0275
H -3.6341 -1.7572 -0.1535 0.3490 -0.1911 0.2137
20
Frequency 798.39
Pd 1.1079 0.3099 0.1396 0.0104 -0.0010 -0.0009
C 2.3304 1.5645 -0.8889 -0.0057 -0.0034 0.0064
C 3.2318 2.3715 -0.3539 -0.0002 -0.0027 -0.0003
H 2.2165 1.5545 -1.9641 0.0036 0.0010 0.0008
H 3.3761 2.4562 0.7091 -0.0026 0.0049 -0.0000
H 3.8569 3.0119 -0.9549 0.0000 -0.0014 -0.0012
Br -0.7097 -1.3155 1.3221 -0.0192 -0.0007 -0.0110
P 3.2127 -1.1136 0.5156 -0.0039 0.0014 -0.0008
H 4.2492 -0.4673 1.1838 0.0028 -0.0035 -0.0010
H 3.8990 -1.4505 -0.6483 0.0044 -0.0024 0.0030
H 3.2974 -2.3505 1.1605 0.0057 -0.0004 -0.0007
C -0.3437 1.6923 -0.3523 -0.0692 -0.0241 -0.0100
H -0.4327 2.0448 -1.3702 0.0047 0.0129 0.0020
C -1.1774 2.2303 0.5463 -0.0145 -0.0122 -0.0184
H -1.1327 1.9799 1.5921 -0.0556 -0.0574 -0.0162
H -1.8816 3.0078 0.2925 -0.0170 -0.0140 -0.0013
Sn -2.8107 -0.2118 -0.1448 -0.0688 -0.0406 -0.0096
H -3.7490 0.8840 0.8101 0.4598 0.4308 -0.0751
H -2.4446 0.1934 -1.7864 0.3093 0.4272 0.1911
H -3.6341 -1.7572 -0.1535 0.4343 -0.1966 0.1914
20
Frequency 843.67
Pd 1.1079 0.3099 0.1396 0.0022 0.0020 -0.0010
C 2.3304 1.5645 -0.8889 -0.0017 -0.0008 0.0029
C 3.2318 2.3715 -0.3539 -0.0002 -0.0008 0.0001
H 2.2165 1.5545 -1.9641 0.0019 0.0007 0.0004
H 3.3761 2.4562 0.7091 0.0014 0.0013 -0.0003
H 3.8569 3.0119 -0.9549 -0.0011 -0.0009 -0.0018
Br -0.7097 -1.3155 1.3221 -0.0043 0.0001 0.0034
P 3.2127 -1.1136 0.5156 -0.0006 -0.0009 -0.0004
H 4.2492 -0.4673 1.1838 -0.0006 0.0012 -0.0005
H 3.8990 -1.4505 -0.6483 0.0007 0.0007 0.0001
H 3.2974 -2.3505 1.1605 0.0008 0.0000 -0.0000
C -0.3437 1.6923 -0.3523 -0.0092 -0.0135 -0.0170
H -0.4327 2.0448 -1.3702 0.0081 0.0032 -0.0038
C -1.1774 2.2303 0.5463 -0.0006 -0.0040 -0.0142
H -1.1327 1.9799 1.5921 -0.0021 -0.0105 -0.0064
H -1.8816 3.0078 0.2925 0.0226 0.0227 0.0048
Sn -2.8107 -0.2118 -0.1448 0.0324 -0.0230 -0.0765
H -3.7490 0.8840 0.8101 -0.3034 -0.3121 0.1022
H -2.4446 0.1934 -1.7864 0.2450 0.4514 0.1956
H -3.6341 -1.7572 -0.1535 -0.2709 0.1441 0.6296
20
Frequency 1089.22
Pd 1.1079 0.3099 0.1396 0.0028 -0.0010 0.0024
C 2.3304 1.5645 -0.8889 0.0784 -0.0843 -0.0302
C 3.2318 2.3715 -0.3539 -0.3552 0.3182 0.0588
H 2.2165 1.5545 -1.9641 0.1178 -0.0070 -0.0197
H 3.3761 2.4562 0.7091 0.5022 -0.4024 -0.0276
H 3.8569 3.0119 -0.9549 0.3316 -0.4196 -0.0783
Br -0.7097 -1.3155 1.3221 -0.0010 0.0003 -0.0004
P 3.2127 -1.1136 0.5156 -0.0243 0.0132 -0.0032
H 4.2492 -0.4673 1.1838 0.0378 -0.0486 -0.0088
H 3.8990 -1.4505 -0.6483 0.0438 -0.0123 0.0292
H 3.2974 -2.3505 1.1605 0.0522 0.0033 -0.0026
C -0.3437 1.6923 -0.3523 0.0060 0.0168 0.0024
H -0.4327 2.0448 -1.3702 0.0094 0.0038 0.0006
C -1.1774 2.2303 0.5463 -0.0561 -0.0485 -0.0076
H -1.1327 1.9799 1.5921 0.0720 0.0710 0.0144
H -1.8816 3.0078 0.2925 0.0643 0.0639 0.0124
Sn -2.8107 -0.2118 -0.1448 0.0002 -0.0029 -0.0005
H -3.7490 0.8840 0.8101 0.0121 0.0091 0.0003
H -2.4446 0.1934 -1.7864 0.0019 0.0064 0.0017
H -3.6341 -1.7572 -0.1535 -0.0028 0.0005 -0.0007
20
Frequency 1101.90
Pd 1.1079 0.3099 0.1396 0.0017 0.0030 -0.0049
C 2.3304 1.5645 -0.8889 -0.0177 0.0141 0.0178
C 3.2318 2.3715 -0.3539 0.0614 -0.0380 -0.0266
H 2.2165 1.5545 -1.9641 -0.0349 -0.0415 0.0089
H 3.3761 2.4562 0.7091 -0.0918 0.0255 0.0054
H 3.8569 3.0119 -0.9549 -0.0337 0.0839 0.0414
Br -0.7097 -1.3155 1.3221 -0.0034 0.0017 0.0001
P 3.2127 -1.1136 0.5156 0.0123 -0.0070 0.0024
H 4.2492 -0.4673 1.1838 -0.0165 0.0243 0.0021
H 3.8990 -1.4505 -0.6483 -0.0209 0.0121 -0.0158
H 3.2974 -2.3505 1.1605 -0.0285 -0.0001 0.0030
C -0.3437 1.6923 -0.3523 0.0859 0.0939 0.0476
H -0.4327 2.0448 -1.3702 0.0209 -0.0567 -0.0151
C -1.1774 2.2303 0.5463 -0.3574 -0.2969 -0.0829
H -1.1327 1.9799 1.5921 0.4538 0.3620 0.0610
H -1.8816 3.0078 0.2925 0.4130 0.4339 0.1352
Sn -2.8107 -0.2118 -0.1448 0.0008 -0.0127 -0.0045
H -3.7490 0.8840 0.8101 0.0643 0.0454 0.0054
H -2.4446 0.1934 -1.7864 0.0056 0.0268 0.0048
H -3.6341 -1.7572 -0.1535 -0.0095 0.0003 0.0017
20
Frequency 1108.13
Pd 1.1079 0.3099 0.1396 0.0049 -0.0110 0.0278
C 2.3304 1.5645 -0.8889 -0.0106 0.0092 -0.1474
C 3.2318 2.3715 -0.3539 -0.0843 -0.1905 0.2227
H 2.2165 1.5545 -1.9641 0.3745 0.4432 -0.0935
H 3.3761 2.4562 0.7091 0.2452 0.4175 -0.0191
H 3.8569 3.0119 -0.9549 -0.3030 -0.1868 -0.3801
Br -0.7097 -1.3155 1.3221 -0.0009 -0.0010 -0.0015
P 3.2127 -1.1136 0.5156 0.0123 -0.0052 -0.0007
H 4.2492 -0.4673 1.1838 -0.0193 0.0205 0.0099
H 3.8990 -1.4505 -0.6483 -0.0231 0.0100 -0.0158
H 3.2974 -2.3505 1.1605 -0.0276 0.0021 0.0077
C -0.3437 1.6923 -0.3523 0.0003 0.0259 -0.0253
H -0.4327 2.0448 -1.3702 -0.0590 0.0670 0.0195
C -1.1774 2.2303 0.5463 -0.0081 -0.0561 0.0208
H -1.1327 1.9799 1.5921 -0.0154 0.0887 0.0304
H -1.8816 3.0078 0.2925 0.0661 0.0231 -0.0691
Sn -2.8107 -0.2118 -0.1448 0.0003 -0.0007 -0.0000
H -3.7490 0.8840 0.8101 0.0042 0.0032 0.0002
H -2.4446 0.1934 -1.7864 0.0004 -0.0002 0.0005
H -3.6341 -1.7572 -0.1535 -0.0011 0.0001 -0.0020
20
Frequency 1110.94
Pd 1.1079 0.3099 0.1396 0.0025 0.0116 -0.0190
C 2.3304 1.5645 -0.8889 -0.0072 -0.0039 -0.0151
C 3.2318 2.3715 -0.3539 -0.0253 -0.0331 0.0337
H 2.2165 1.5545 -1.9641 0.0801 0.0671 -0.0179
H 3.3761 2.4562 0.7091 0.0488 0.0559 -0.0047
H 3.8569 3.0119 -0.9549 -0.0489 -0.0353 -0.0632
Br -0.7097 -1.3155 1.3221 -0.0008 -0.0003 0.0001
P 3.2127 -1.1136 0.5156 -0.0002 0.0025 0.0060
H 4.2492 -0.4673 1.1838 0.0001 0.0038 -0.0034
H 3.8990 -1.4505 -0.6483 -0.0079 -0.0001 -0.0037
H 3.2974 -2.3505 1.1605 -0.0044 -0.0039 -0.0065
C -0.3437 1.6923 -0.3523 0.0415 -0.0254 0.1404
H -0.4327 2.0448 -1.3702 0.3429 -0.4606 -0.1345
C -1.1774 2.2303 0.5463 -0.1433 0.2224 -0.1389
H -1.1327 1.9799 1.5921 0.2494 -0.3875 -0.1515
H -1.8816 3.0078 0.2925 -0.2081 0.0725 0.4799
Sn -2.8107 -0.2118 -0.1448 0.0009 0.0005 0.0007
H -3.7490 0.8840 0.8101 -0.0037 0.0006 -0.0049
H -2.4446 0.1934 -1.7864 -0.0119 -0.0021 -0.0050
H -3.6341 -1.7572 -0.1535 0.0001 0.0011 -0.0009
20
Frequency 1128.53
Pd 1.1079 0.3099 0.1396 0.0076 -0.0056 0.0010
C 2.3304 1.5645 -0.8889 -0.0083 0.0277 -0.0089
C 3.2318 2.3715 -0.3539 0.0374 -0.0518 0.0130
H 2.2165 1.5545 -1.9641 0.0225 -0.0204 -0.0035
H 3.3761 2.4562 0.7091 -0.0211 0.0538 0.0014
H 3.8569 3.0119 -0.9549 -0.0764 0.0499 -0.0179
Br -0.7097 -1.3155 1.3221 -0.0006 -0.0004 0.0001
P 3.2127 -1.1136 0.5156 -0.2424 0.1191 -0.0191
H 4.2492 -0.4673 1.1838 0.3432 -0.4272 -0.1224
H 3.8990 -1.4505 -0.6483 0.4233 -0.1867 0.3049
H 3.2974 -2.3505 1.1605 0.5281 -0.0097 -0.0848
C -0.3437 1.6923 -0.3523 -0.0116 0.0077 -0.0031
H -0.4327 2.0448 -1.3702 0.0114 -0.0044 -0.0031
C -1.1774 2.2303 0.5463 -0.0173 -0.0112 0.0027
H -1.1327 1.9799 1.5921 0.0145 0.0155 0.0040
H -1.8816 3.0078 0.2925 0.0193 0.0189 0.0021
Sn -2.8107 -0.2118 -0.1448 0.0018 0.0009 0.0005
H -3.7490 0.8840 0.8101 -0.0046 -0.0034 -0.0011
H -2.4446 0.1934 -1.7864 -0.0050 -0.0034 -0.0020
H -3.6341 -1.7572 -0.1535 -0.0026 0.0026 -0.0020
20
Frequency 1158.37
Pd 1.1079 0.3099 0.1396 0.0041 -0.0016 0.0011
C 2.3304 1.5645 -0.8889 -0.2172 0.2335 0.0064
C 3.2318 2.3715 -0.3539 0.0554 -0.0861 0.0076
H 2.2165 1.5545 -1.9641 0.5448 -0.5247 -0.0592
H 3.3761 2.4562 0.7091 0.2745 -0.2460 -0.0155
H 3.8569 3.0119 -0.9549 -0.2969 0.2791 0.0000
Br -0.7097 -1.3155 1.3221 -0.0007 -0.0002 0.0000
P 3.2127 -1.1136 0.5156 0.0116 -0.0127 0.0052
H 4.2492 -0.4673 1.1838 -0.0182 0.0293 -0.0011
H 3.8990 -1.4505 -0.6483 -0.0218 0.0188 -0.0183
H 3.2974 -2.3505 1.1605 -0.0262 0.0004 0.0042
C -0.3437 1.6923 -0.3523 -0.0194 -0.0099 -0.0094
H -0.4327 2.0448 -1.3702 0.0526 0.0429 0.0102
C -1.1774 2.2303 0.5463 0.0089 0.0060 0.0078
H -1.1327 1.9799 1.5921 0.0151 0.0271 0.0077
H -1.8816 3.0078 0.2925 -0.0294 -0.0321 -0.0134
Sn -2.8107 -0.2118 -0.1448 -0.0000 -0.0003 0.0002
H -3.7490 0.8840 0.8101 0.0005 0.0000 0.0004
H -2.4446 0.1934 -1.7864 0.0005 0.0004 0.0007
H -3.6341 -1.7572 -0.1535 -0.0008 0.0000 -0.0010
20
Frequency 1185.45
Pd 1.1079 0.3099 0.1396 0.0033 0.0047 -0.0038
C 2.3304 1.5645 -0.8889 0.0127 -0.0218 0.0020
C 3.2318 2.3715 -0.3539 -0.0024 -0.0016 -0.0035
H 2.2165 1.5545 -1.9641 -0.0357 0.0561 0.0025
H 3.3761 2.4562 0.7091 -0.0339 0.0315 0.0011
H 3.8569 3.0119 -0.9549 0.0214 -0.0204 0.0004
Br -0.7097 -1.3155 1.3221 -0.0007 0.0004 0.0003
P 3.2127 -1.1136 0.5156 -0.0004 -0.0002 -0.0000
H 4.2492 -0.4673 1.1838 -0.0005 0.0010 -0.0001
H 3.8990 -1.4505 -0.6483 -0.0003 0.0013 -0.0005
H 3.2974 -2.3505 1.1605 -0.0011 0.0002 0.0005
C -0.3437 1.6923 -0.3523 -0.1945 -0.2232 -0.0225
H -0.4327 2.0448 -1.3702 0.5764 0.4795 0.1305
C -1.1774 2.2303 0.5463 -0.0074 0.0543 -0.0216
H -1.1327 1.9799 1.5921 0.3680 0.2671 0.0385
H -1.8816 3.0078 0.2925 -0.2623 -0.2130 0.0168
Sn -2.8107 -0.2118 -0.1448 -0.0007 0.0017 -0.0008
H -3.7490 0.8840 0.8101 0.0027 -0.0066 0.0102
H -2.4446 0.1934 -1.7864 0.0108 -0.0012 0.0052
H -3.6341 -1.7572 -0.1535 -0.0012 -0.0015 -0.0031
20
Frequency 1254.09
Pd 1.1079 0.3099 0.1396 0.0050 0.0020 -0.0030
C 2.3304 1.5645 -0.8889 -0.0085 0.0023 0.0029
C 3.2318 2.3715 -0.3539 0.0011 0.0007 -0.0030
H 2.2165 1.5545 -1.9641 0.0076 -0.0037 -0.0006
H 3.3761 2.4562 0.7091 -0.0008 -0.0032 -0.0003
H 3.8569 3.0119 -0.9549 0.0010 0.0030 0.0033
Br -0.7097 -1.3155 1.3221 0.0006 -0.0009 0.0007
P 3.2127 -1.1136 0.5156 0.0430 0.0946 -0.0870
H 4.2492 -0.4673 1.1838 -0.2551 -0.2058 0.5999
H 3.8990 -1.4505 -0.6483 -0.4104 -0.4043 -0.1323
H 3.2974 -2.3505 1.1605 0.4022 0.0588 0.0389
C -0.3437 1.6923 -0.3523 -0.0043 0.0015 -0.0006
H -0.4327 2.0448 -1.3702 0.0056 -0.0031 -0.0015
C -1.1774 2.2303 0.5463 -0.0027 -0.0017 0.0017
H -1.1327 1.9799 1.5921 0.0012 0.0020 0.0009
H -1.8816 3.0078 0.2925 0.0030 0.0026 -0.0003
Sn -2.8107 -0.2118 -0.1448 -0.0000 0.0009 -0.0005
H -3.7490 0.8840 0.8101 -0.0007 -0.0014 0.0011
H -2.4446 0.1934 -1.7864 -0.0003 -0.0010 -0.0007
H -3.6341 -1.7572 -0.1535 0.0017 -0.0008 0.0016
20
Frequency 1264.65
Pd 1.1079 0.3099 0.1396 -0.0012 -0.0025 -0.0043
C 2.3304 1.5645 -0.8889 0.0002 0.0015 0.0048
C 3.2318 2.3715 -0.3539 0.0042 -0.0036 -0.0017
H 2.2165 1.5545 -1.9641 -0.0001 -0.0002 0.0007
H 3.3761 2.4562 0.7091 -0.0112 0.0023 0.0000
H 3.8569 3.0119 -0.9549 -0.0023 0.0025 -0.0005
Br -0.7097 -1.3155 1.3221 -0.0001 0.0002 -0.0000
P 3.2127 -1.1136 0.5156 -0.0279 -0.0818 -0.1032
H 4.2492 -0.4673 1.1838 0.1311 -0.3754 0.1355
H 3.8990 -1.4505 -0.6483 -0.0106 0.5248 -0.1694
H 3.2974 -2.3505 1.1605 0.0413 0.3279 0.6275
C -0.3437 1.6923 -0.3523 0.0050 -0.0004 0.0025
H -0.4327 2.0448 -1.3702 0.0008 -0.0036 -0.0005
C -1.1774 2.2303 0.5463 -0.0028 0.0036 -0.0001
H -1.1327 1.9799 1.5921 0.0011 -0.0022 -0.0007
H -1.8816 3.0078 0.2925 -0.0041 -0.0004 0.0046
Sn -2.8107 -0.2118 -0.1448 -0.0001 -0.0002 -0.0000
H -3.7490 0.8840 0.8101 0.0006 0.0003 -0.0000
H -2.4446 0.1934 -1.7864 0.0001 0.0005 0.0001
H -3.6341 -1.7572 -0.1535 -0.0002 -0.0000 0.0002
20
Frequency 1396.34
Pd 1.1079 0.3099 0.1396 0.0181 0.0021 -0.0017
C 2.3304 1.5645 -0.8889 -0.0990 -0.1170 0.3010
C 3.2318 2.3715 -0.3539 -0.0229 0.0070 -0.3276
H 2.2165 1.5545 -1.9641 0.4618 0.4374 0.0135
H 3.3761 2.4562 0.7091 -0.2442 -0.2264 -0.0420
H 3.8569 3.0119 -0.9549 0.1099 0.0847 0.1330
Br -0.7097 -1.3155 1.3221 -0.0018 -0.0019 0.0010
P 3.2127 -1.1136 0.5156 -0.0053 0.0036 -0.0004
H 4.2492 -0.4673 1.1838 0.0068 -0.0050 -0.0071
H 3.8990 -1.4505 -0.6483 0.0105 -0.0012 0.0082
H 3.2974 -2.3505 1.1605 0.0012 -0.0018 -0.0025
C -0.3437 1.6923 -0.3523 -0.0803 0.1078 -0.1291
H -0.4327 2.0448 -1.3702 0.2451 -0.1936 -0.1254
C -1.1774 2.2303 0.5463 0.0120 -0.0577 0.1679
H -1.1327 1.9799 1.5921 -0.1335 0.0969 0.0814
H -1.8816 3.0078 0.2925 0.0516 -0.0118 -0.0919
Sn -2.8107 -0.2118 -0.1448 0.0013 0.0004 0.0005
H -3.7490 0.8840 0.8101 -0.0017 -0.0012 -0.0008
H -2.4446 0.1934 -1.7864 -0.0037 -0.0023 -0.0014
H -3.6341 -1.7572 -0.1535 -0.0008 0.0021 -0.0012
20
Frequency 1422.69
Pd 1.1079 0.3099 0.1396 0.0036 -0.0060 -0.0040
C 2.3304 1.5645 -0.8889 0.0410 0.0442 -0.1583
C 3.2318 2.3715 -0.3539 0.0170 -0.0008 0.1761
H 2.2165 1.5545 -1.9641 -0.2637 -0.2279 -0.0104
H 3.3761 2.4562 0.7091 0.1287 0.1346 0.0233
H 3.8569 3.0119 -0.9549 -0.0456 -0.0419 -0.0577
Br -0.7097 -1.3155 1.3221 0.0015 0.0003 -0.0000
P 3.2127 -1.1136 0.5156 0.0047 -0.0018 -0.0001
H 4.2492 -0.4673 1.1838 -0.0067 0.0099 0.0024
H 3.8990 -1.4505 -0.6483 -0.0091 0.0069 -0.0087
H 3.2974 -2.3505 1.1605 -0.0159 0.0005 0.0048
C -0.3437 1.6923 -0.3523 -0.1124 0.1555 -0.2497
H -0.4327 2.0448 -1.3702 0.4793 -0.3571 -0.2420
C -1.1774 2.2303 0.5463 0.0064 -0.0937 0.3218
H -1.1327 1.9799 1.5921 -0.2472 0.1983 0.1596
H -1.8816 3.0078 0.2925 0.0736 -0.0199 -0.1335
Sn -2.8107 -0.2118 -0.1448 -0.0012 0.0002 -0.0010
H -3.7490 0.8840 0.8101 0.0047 0.0017 0.0042
H -2.4446 0.1934 -1.7864 0.0022 0.0002 -0.0033
H -3.6341 -1.7572 -0.1535 0.0019 -0.0015 0.0037
20
Frequency 1550.97
Pd 1.1079 0.3099 0.1396 -0.0141 0.0083 0.0004
C 2.3304 1.5645 -0.8889 0.0442 0.0457 0.0276
C 3.2318 2.3715 -0.3539 -0.0180 -0.0147 -0.0190
H 2.2165 1.5545 -1.9641 0.0089 0.0072 0.0128
H 3.3761 2.4562 0.7091 -0.0571 -0.0586 0.0020
H 3.8569 3.0119 -0.9549 -0.0335 -0.0288 -0.0538
Br -0.7097 -1.3155 1.3221 -0.0013 0.0014 -0.0004
P 3.2127 -1.1136 0.5156 -0.0001 -0.0005 -0.0014
H 4.2492 -0.4673 1.1838 -0.0005 0.0002 0.0011
H 3.8990 -1.4505 -0.6483 0.0030 -0.0046 0.0032
H 3.2974 -2.3505 1.1605 0.0050 0.0002 -0.0034
C -0.3437 1.6923 -0.3523 0.4183 -0.3071 -0.3244
H -0.4327 2.0448 -1.3702 -0.1023 0.1128 -0.0270
C -1.1774 2.2303 0.5463 -0.2008 0.1367 0.1514
H -1.1327 1.9799 1.5921 -0.3210 0.3003 0.1424
H -1.8816 3.0078 0.2925 -0.1970 0.0902 0.4919
Sn -2.8107 -0.2118 -0.1448 -0.0011 -0.0050 -0.0000
H -3.7490 0.8840 0.8101 0.0137 0.0140 0.0063
H -2.4446 0.1934 -1.7864 0.0136 0.0112 0.0022
H -3.6341 -1.7572 -0.1535 -0.0054 -0.0033 -0.0023
20
Frequency 1577.56
Pd 1.1079 0.3099 0.1396 0.0102 0.0090 -0.0054
C 2.3304 1.5645 -0.8889 -0.3709 -0.3373 -0.1211
C 3.2318 2.3715 -0.3539 0.1228 0.1060 0.0350
H 2.2165 1.5545 -1.9641 0.0621 0.0628 -0.0722
H 3.3761 2.4562 0.7091 0.3946 0.3903 -0.0392
H 3.8569 3.0119 -0.9549 0.2899 0.2526 0.4694
Br -0.7097 -1.3155 1.3221 -0.0011 -0.0006 -0.0002
P 3.2127 -1.1136 0.5156 -0.0034 0.0018 -0.0012
H 4.2492 -0.4673 1.1838 0.0044 -0.0077 -0.0034
H 3.8990 -1.4505 -0.6483 0.0056 0.0011 0.0043
H 3.2974 -2.3505 1.1605 0.0041 0.0003 0.0021
C -0.3437 1.6923 -0.3523 0.0570 -0.0377 -0.0343
H -0.4327 2.0448 -1.3702 -0.0270 0.0228 0.0046
C -1.1774 2.2303 0.5463 -0.0250 0.0192 0.0075
H -1.1327 1.9799 1.5921 -0.0390 0.0351 0.0136
H -1.8816 3.0078 0.2925 -0.0285 0.0118 0.0712
Sn -2.8107 -0.2118 -0.1448 0.0004 -0.0004 0.0003
H -3.7490 0.8840 0.8101 0.0000 0.0006 -0.0002
H -2.4446 0.1934 -1.7864 -0.0001 0.0006 0.0006
H -3.6341 -1.7572 -0.1535 -0.0010 0.0011 -0.0011
20
Frequency 1725.99
Pd 1.1079 0.3099 0.1396 0.0058 -0.0048 -0.0011
C 2.3304 1.5645 -0.8889 0.0004 -0.0003 -0.0029
C 3.2318 2.3715 -0.3539 0.0031 0.0026 0.0045
H 2.2165 1.5545 -1.9641 -0.0023 -0.0026 -0.0020
H 3.3761 2.4562 0.7091 -0.0044 -0.0030 0.0024
H 3.8569 3.0119 -0.9549 -0.0030 -0.0037 -0.0079
Br -0.7097 -1.3155 1.3221 0.0013 -0.0008 0.0009
P 3.2127 -1.1136 0.5156 0.0002 -0.0001 0.0015
H 4.2492 -0.4673 1.1838 0.0007 -0.0009 -0.0007
H 3.8990 -1.4505 -0.6483 -0.0013 0.0014 -0.0013
H 3.2974 -2.3505 1.1605 0.0000 -0.0003 0.0005
C -0.3437 1.6923 -0.3523 -0.2810 0.1956 0.2586
H -0.4327 2.0448 -1.3702 0.0305 -0.0455 0.0543
C -1.1774 2.2303 0.5463 0.3632 -0.2677 -0.4060
H -1.1327 1.9799 1.5921 -0.3248 0.3507 0.0028
H -1.8816 3.0078 0.2925 -0.0495 -0.0265 0.4586
Sn -2.8107 -0.2118 -0.1448 0.0003 0.0040 -0.0009
H -3.7490 0.8840 0.8101 -0.0146 -0.0127 -0.0053
H -2.4446 0.1934 -1.7864 -0.0121 -0.0097 0.0056
H -3.6341 -1.7572 -0.1535 0.0091 0.0058 0.0009
20
Frequency 1772.40
Pd 1.1079 0.3099 0.1396 0.0079 0.0067 -0.0029
C 2.3304 1.5645 -0.8889 -0.3810 -0.3456 -0.1658
C 3.2318 2.3715 -0.3539 0.4425 0.4064 0.2567
H 2.2165 1.5545 -1.9641 0.0235 0.0237 -0.0958
H 3.3761 2.4562 0.7091 -0.2321 -0.2467 0.1624
H 3.8569 3.0119 -0.9549 -0.0813 -0.0602 -0.3468
Br -0.7097 -1.3155 1.3221 -0.0003 -0.0002 -0.0005
P 3.2127 -1.1136 0.5156 -0.0016 0.0011 -0.0004
H 4.2492 -0.4673 1.1838 0.0005 -0.0015 -0.0024
H 3.8990 -1.4505 -0.6483 0.0018 -0.0004 0.0037
H 3.2974 -2.3505 1.1605 0.0018 -0.0017 0.0002
C -0.3437 1.6923 -0.3523 0.0067 -0.0035 -0.0027
H -0.4327 2.0448 -1.3702 -0.0018 0.0023 0.0022
C -1.1774 2.2303 0.5463 -0.0056 0.0048 0.0024
H -1.1327 1.9799 1.5921 0.0023 -0.0034 -0.0005
H -1.8816 3.0078 0.2925 -0.0015 0.0008 0.0001
Sn -2.8107 -0.2118 -0.1448 0.0002 -0.0000 0.0001
H -3.7490 0.8840 0.8101 -0.0004 -0.0003 -0.0003
H -2.4446 0.1934 -1.7864 -0.0006 -0.0004 0.0004
H -3.6341 -1.7572 -0.1535 0.0001 0.0012 -0.0004
20
Frequency 1975.06
Pd 1.1079 0.3099 0.1396 0.0003 -0.0001 0.0000
C 2.3304 1.5645 -0.8889 0.0008 0.0007 0.0001
C 3.2318 2.3715 -0.3539 -0.0009 -0.0006 0.0001
H 2.2165 1.5545 -1.9641 -0.0005 -0.0009 0.0001
H 3.3761 2.4562 0.7091 0.0003 -0.0001 -0.0000
H 3.8569 3.0119 -0.9549 -0.0002 -0.0003 -0.0003
Br -0.7097 -1.3155 1.3221 -0.0019 0.0009 -0.0013
P 3.2127 -1.1136 0.5156 0.0002 -0.0000 -0.0001
H 4.2492 -0.4673 1.1838 -0.0003 0.0006 0.0002
H 3.8990 -1.4505 -0.6483 -0.0004 0.0003 -0.0007
H 3.2974 -2.3505 1.1605 -0.0009 -0.0004 0.0004
C -0.3437 1.6923 -0.3523 0.0023 -0.0032 -0.0040
H -0.4327 2.0448 -1.3702 0.0001 0.0032 0.0007
C -1.1774 2.2303 0.5463 -0.0064 0.0012 0.0031
H -1.1327 1.9799 1.5921 0.0032 0.0006 0.0006
H -1.8816 3.0078 0.2925 0.0023 0.0027 -0.0005
Sn -2.8107 -0.2118 -0.1448 -0.0343 -0.0861 0.0065
H -3.7490 0.8840 0.8101 -0.0750 0.0583 0.0753
H -2.4446 0.1934 -1.7864 0.0263 0.0088 -0.1310
H -3.6341 -1.7572 -0.1535 0.4479 0.8718 -0.0030
20
Frequency 2039.19
Pd 1.1079 0.3099 0.1396 0.0002 0.0002 -0.0001
C 2.3304 1.5645 -0.8889 0.0007 0.0009 0.0000
C 3.2318 2.3715 -0.3539 -0.0006 -0.0006 0.0004
H 2.2165 1.5545 -1.9641 -0.0014 -0.0013 -0.0000
H 3.3761 2.4562 0.7091 0.0001 0.0002 0.0000
H 3.8569 3.0119 -0.9549 -0.0002 -0.0004 -0.0005
Br -0.7097 -1.3155 1.3221 -0.0007 0.0001 -0.0002
P 3.2127 -1.1136 0.5156 0.0001 -0.0000 -0.0000
H 4.2492 -0.4673 1.1838 -0.0001 0.0005 0.0004
H 3.8990 -1.4505 -0.6483 -0.0003 -0.0000 -0.0006
H 3.2974 -2.3505 1.1605 -0.0002 0.0001 0.0000
C -0.3437 1.6923 -0.3523 0.0064 -0.0051 -0.0050
H -0.4327 2.0448 -1.3702 -0.0004 -0.0003 -0.0045
C -1.1774 2.2303 0.5463 -0.0080 0.0008 0.0063
H -1.1327 1.9799 1.5921 0.0010 -0.0017 0.0025
H -1.8816 3.0078 0.2925 -0.0007 0.0035 -0.0023
Sn -2.8107 -0.2118 -0.1448 -0.0194 0.0401 -0.0294
H -3.7490 0.8840 0.8101 0.3312 -0.4125 -0.3646
H -2.4446 0.1934 -1.7864 -0.1815 -0.1809 0.6984
H -3.6341 -1.7572 -0.1535 0.0747 0.1647 -0.0092
20
Frequency 2047.83
Pd 1.1079 0.3099 0.1396 0.0000 0.0000 -0.0001
C 2.3304 1.5645 -0.8889 0.0002 0.0002 0.0001
C 3.2318 2.3715 -0.3539 -0.0001 -0.0000 0.0001
H 2.2165 1.5545 -1.9641 -0.0005 -0.0005 0.0000
H 3.3761 2.4562 0.7091 0.0001 0.0001 -0.0000
H 3.8569 3.0119 -0.9549 0.0000 -0.0001 0.0000
Br -0.7097 -1.3155 1.3221 0.0001 -0.0002 0.0002
P 3.2127 -1.1136 0.5156 -0.0000 0.0000 -0.0000
H 4.2492 -0.4673 1.1838 -0.0001 -0.0002 -0.0000
H 3.8990 -1.4505 -0.6483 0.0000 -0.0000 -0.0001
H 3.2974 -2.3505 1.1605 0.0000 0.0001 0.0000
C -0.3437 1.6923 -0.3523 0.0010 0.0005 0.0012
H -0.4327 2.0448 -1.3702 0.0001 -0.0016 -0.0032
C -1.1774 2.2303 0.5463 -0.0032 0.0007 0.0023
H -1.1327 1.9799 1.5921 0.0018 -0.0010 -0.0012
H -1.8816 3.0078 0.2925 0.0025 -0.0001 -0.0018
Sn -2.8107 -0.2118 -0.1448 0.0483 -0.0284 -0.0915
H -3.7490 0.8840 0.8101 -0.3904 0.4933 0.4135
H -2.4446 0.1934 -1.7864 -0.1498 -0.1708 0.6092
H -3.6341 -1.7572 -0.1535 0.0121 -0.0111 -0.0263
20
Frequency 2634.51
Pd 1.1079 0.3099 0.1396 -0.0013 -0.0000 0.0003
C 2.3304 1.5645 -0.8889 -0.0002 -0.0025 -0.0001
C 3.2318 2.3715 -0.3539 0.0014 0.0004 0.0007
H 2.2165 1.5545 -1.9641 0.0001 0.0009 -0.0009
H 3.3761 2.4562 0.7091 -0.0005 0.0008 0.0005
H 3.8569 3.0119 -0.9549 0.0004 0.0007 -0.0003
Br -0.7097 -1.3155 1.3221 -0.0001 0.0002 -0.0002
P 3.2127 -1.1136 0.5156 -0.0092 -0.1530 0.0860
H 4.2492 -0.4673 1.1838 0.0549 0.0201 0.0378
H 3.8990 -1.4505 -0.6483 0.0459 -0.0317 -0.0652
H 3.2974 -2.3505 1.1605 -0.0446 0.8665 -0.4540
C -0.3437 1.6923 -0.3523 0.0000 0.0008 0.0006
H -0.4327 2.0448 -1.3702 0.0009 -0.0008 -0.0010
C -1.1774 2.2303 0.5463 0.0011 -0.0005 -0.0001
H -1.1327 1.9799 1.5921 0.0000 -0.0001 0.0004
H -1.8816 3.0078 0.2925 -0.0002 -0.0004 -0.0009
Sn -2.8107 -0.2118 -0.1448 -0.0001 -0.0003 0.0001
H -3.7490 0.8840 0.8101 0.0004 0.0004 -0.0001
H -2.4446 0.1934 -1.7864 0.0003 0.0004 0.0000
H -3.6341 -1.7572 -0.1535 -0.0001 0.0006 -0.0003
20
Frequency 2669.21
Pd 1.1079 0.3099 0.1396 -0.0002 -0.0001 -0.0007
C 2.3304 1.5645 -0.8889 -0.0000 0.0011 0.0010
C 3.2318 2.3715 -0.3539 -0.0002 -0.0004 0.0008
H 2.2165 1.5545 -1.9641 -0.0002 -0.0016 -0.0010
H 3.3761 2.4562 0.7091 -0.0005 0.0011 -0.0016
H 3.8569 3.0119 -0.9549 0.0008 -0.0002 0.0002
Br -0.7097 -1.3155 1.3221 0.0001 -0.0000 0.0001
P 3.2127 -1.1136 0.5156 0.0129 -0.0820 -0.1652
H 4.2492 -0.4673 1.1838 0.3512 0.2163 0.2167
H 3.8990 -1.4505 -0.6483 -0.4222 0.2020 0.7279
H 3.2974 -2.3505 1.1605 0.0013 0.0360 -0.0266
C -0.3437 1.6923 -0.3523 0.0001 0.0005 0.0009
H -0.4327 2.0448 -1.3702 0.0004 -0.0006 0.0000
C -1.1774 2.2303 0.5463 0.0001 -0.0001 -0.0002
H -1.1327 1.9799 1.5921 0.0001 0.0001 0.0000
H -1.8816 3.0078 0.2925 -0.0002 -0.0002 -0.0001
Sn -2.8107 -0.2118 -0.1448 -0.0001 -0.0000 -0.0001
H -3.7490 0.8840 0.8101 0.0001 0.0000 0.0001
H -2.4446 0.1934 -1.7864 0.0000 0.0000 0.0003
H -3.6341 -1.7572 -0.1535 0.0002 0.0002 0.0002
20
Frequency 2673.33
Pd 1.1079 0.3099 0.1396 0.0003 -0.0008 0.0001
C 2.3304 1.5645 -0.8889 -0.0009 -0.0019 -0.0000
C 3.2318 2.3715 -0.3539 0.0020 0.0006 0.0004
H 2.2165 1.5545 -1.9641 0.0012 0.0011 0.0000
H 3.3761 2.4562 0.7091 -0.0005 0.0003 -0.0008
H 3.8569 3.0119 -0.9549 0.0000 0.0012 0.0005
Br -0.7097 -1.3155 1.3221 -0.0001 0.0001 -0.0001
P 3.2127 -1.1136 0.5156 -0.1511 -0.0371 -0.0136
H 4.2492 -0.4673 1.1838 0.6314 0.4172 0.4214
H 3.8990 -1.4505 -0.6483 0.2119 -0.1098 -0.3987
H 3.2974 -2.3505 1.1605 -0.0090 -0.0941 0.0505
C -0.3437 1.6923 -0.3523 -0.0002 0.0001 -0.0001
H -0.4327 2.0448 -1.3702 -0.0006 0.0002 0.0009
C -1.1774 2.2303 0.5463 -0.0004 0.0004 -0.0001
H -1.1327 1.9799 1.5921 -0.0001 -0.0001 -0.0004
H -1.8816 3.0078 0.2925 0.0000 -0.0001 0.0005
Sn -2.8107 -0.2118 -0.1448 0.0001 -0.0000 0.0001
H -3.7490 0.8840 0.8101 -0.0004 0.0001 0.0000
H -2.4446 0.1934 -1.7864 -0.0001 0.0000 -0.0003
H -3.6341 -1.7572 -0.1535 -0.0005 -0.0003 -0.0002
20
Frequency 3241.93
Pd 1.1079 0.3099 0.1396 -0.0006 -0.0004 -0.0002
C 2.3304 1.5645 -0.8889 -0.0381 -0.0126 -0.2457
C 3.2318 2.3715 -0.3539 -0.0618 -0.0615 0.0257
H 2.2165 1.5545 -1.9641 0.1055 0.0185 0.8546
H 3.3761 2.4562 0.7091 0.0094 0.0033 0.1336
H 3.8569 3.0119 -0.9549 0.2334 0.2382 -0.2303
Br -0.7097 -1.3155 1.3221 0.0002 0.0001 -0.0001
P 3.2127 -1.1136 0.5156 0.0003 -0.0004 -0.0001
H 4.2492 -0.4673 1.1838 0.0003 0.0001 0.0005
H 3.8990 -1.4505 -0.6483 -0.0011 0.0007 0.0004
H 3.2974 -2.3505 1.1605 -0.0002 0.0005 0.0001
C -0.3437 1.6923 -0.3523 -0.0002 -0.0053 0.0195
H -0.4327 2.0448 -1.3702 -0.0001 0.0188 -0.0648
C -1.1774 2.2303 0.5463 -0.0084 0.0083 0.0018
H -1.1327 1.9799 1.5921 -0.0017 0.0052 -0.0169
H -1.8816 3.0078 0.2925 0.0323 -0.0357 0.0122
Sn -2.8107 -0.2118 -0.1448 -0.0001 0.0001 -0.0000
H -3.7490 0.8840 0.8101 0.0001 -0.0002 -0.0000
H -2.4446 0.1934 -1.7864 0.0002 0.0000 -0.0000
H -3.6341 -1.7572 -0.1535 0.0002 -0.0000 0.0001
20
Frequency 3245.31
Pd 1.1079 0.3099 0.1396 0.0005 -0.0005 -0.0001
C 2.3304 1.5645 -0.8889 -0.0018 -0.0007 -0.0203
C 3.2318 2.3715 -0.3539 -0.0066 -0.0066 0.0027
H 2.2165 1.5545 -1.9641 0.0057 0.0003 0.0739
H 3.3761 2.4562 0.7091 0.0012 0.0002 0.0132
H 3.8569 3.0119 -0.9549 0.0226 0.0240 -0.0229
Br -0.7097 -1.3155 1.3221 0.0000 0.0001 0.0001
P 3.2127 -1.1136 0.5156 0.0001 0.0000 -0.0001
H 4.2492 -0.4673 1.1838 -0.0003 0.0000 -0.0000
H 3.8990 -1.4505 -0.6483 -0.0001 0.0001 0.0001
H 3.2974 -2.3505 1.1605 -0.0004 0.0002 -0.0000
C -0.3437 1.6923 -0.3523 -0.0116 0.0610 -0.1857
H -0.4327 2.0448 -1.3702 0.0425 -0.2161 0.6549
C -1.1774 2.2303 0.5463 0.1096 -0.1076 -0.0274
H -1.1327 1.9799 1.5921 0.0214 -0.0682 0.2363
H -1.8816 3.0078 0.2925 -0.4073 0.4505 -0.1561
Sn -2.8107 -0.2118 -0.1448 0.0002 -0.0002 -0.0005
H -3.7490 0.8840 0.8101 -0.0007 0.0019 0.0011
H -2.4446 0.1934 -1.7864 -0.0012 -0.0009 0.0022
H -3.6341 -1.7572 -0.1535 -0.0002 0.0003 0.0009
20
Frequency 3267.99
Pd 1.1079 0.3099 0.1396 0.0010 -0.0006 0.0001
C 2.3304 1.5645 -0.8889 0.0041 0.0017 0.0074
C 3.2318 2.3715 -0.3539 -0.0125 -0.0120 -0.0035
H 2.2165 1.5545 -1.9641 -0.0060 -0.0020 -0.0194
H 3.3761 2.4562 0.7091 0.0049 0.0023 0.0415
H 3.8569 3.0119 -0.9549 0.0304 0.0324 -0.0316
Br -0.7097 -1.3155 1.3221 0.0001 -0.0001 -0.0000
P 3.2127 -1.1136 0.5156 0.0001 0.0001 -0.0002
H 4.2492 -0.4673 1.1838 -0.0008 0.0001 -0.0002
H 3.8990 -1.4505 -0.6483 -0.0003 0.0001 0.0002
H 3.2974 -2.3505 1.1605 -0.0010 0.0009 -0.0003
C -0.3437 1.6923 -0.3523 0.0034 0.0489 -0.1918
H -0.4327 2.0448 -1.3702 0.0419 -0.2017 0.6065
C -1.1774 2.2303 0.5463 -0.1118 0.0927 0.1049
H -1.1327 1.9799 1.5921 -0.0278 0.1173 -0.4496
H -1.8816 3.0078 0.2925 0.3535 -0.3923 0.1394
Sn -2.8107 -0.2118 -0.1448 -0.0005 -0.0000 -0.0002
H -3.7490 0.8840 0.8101 0.0019 -0.0017 -0.0004
H -2.4446 0.1934 -1.7864 0.0005 -0.0008 0.0030
H -3.6341 -1.7572 -0.1535 0.0000 -0.0004 0.0002
20
Frequency 3273.21
Pd 1.1079 0.3099 0.1396 0.0005 0.0002 -0.0001
C 2.3304 1.5645 -0.8889 0.0343 0.0211 0.1227
C 3.2318 2.3715 -0.3539 -0.1513 -0.1427 -0.0686
H 2.2165 1.5545 -1.9641 -0.0461 -0.0073 -0.3836
H 3.3761 2.4562 0.7091 0.0681 0.0352 0.5807
H 3.8569 3.0119 -0.9549 0.3781 0.3885 -0.3817
Br -0.7097 -1.3155 1.3221 -0.0002 -0.0001 0.0001
P 3.2127 -1.1136 0.5156 -0.0005 0.0004 -0.0002
H 4.2492 -0.4673 1.1838 0.0008 -0.0001 0.0003
H 3.8990 -1.4505 -0.6483 0.0005 -0.0003 0.0002
H 3.2974 -2.3505 1.1605 0.0006 -0.0008 0.0004
C -0.3437 1.6923 -0.3523 0.0009 -0.0041 0.0141
H -0.4327 2.0448 -1.3702 -0.0057 0.0171 -0.0471
C -1.1774 2.2303 0.5463 0.0069 -0.0055 -0.0084
H -1.1327 1.9799 1.5921 0.0021 -0.0089 0.0342
H -1.8816 3.0078 0.2925 -0.0233 0.0256 -0.0089
Sn -2.8107 -0.2118 -0.1448 0.0002 0.0000 0.0001
H -3.7490 0.8840 0.8101 -0.0004 0.0001 -0.0000
H -2.4446 0.1934 -1.7864 -0.0002 0.0001 -0.0004
H -3.6341 -1.7572 -0.1535 -0.0003 -0.0001 -0.0002
20
Frequency 3331.43
Pd 1.1079 0.3099 0.1396 -0.0004 -0.0004 0.0001
C 2.3304 1.5645 -0.8889 -0.0030 0.0017 -0.0476
C 3.2318 2.3715 -0.3539 0.0640 0.0784 -0.2992
H 2.2165 1.5545 -1.9641 0.0187 0.0032 0.1528
H 3.3761 2.4562 0.7091 0.1041 0.0632 0.7386
H 3.8569 3.0119 -0.9549 -0.3305 -0.3384 0.3031
Br -0.7097 -1.3155 1.3221 -0.0000 -0.0000 -0.0000
P 3.2127 -1.1136 0.5156 -0.0001 -0.0003 -0.0003
H 4.2492 -0.4673 1.1838 0.0014 0.0003 0.0007
H 3.8990 -1.4505 -0.6483 -0.0006 0.0007 0.0008
H 3.2974 -2.3505 1.1605 -0.0000 0.0005 0.0003
C -0.3437 1.6923 -0.3523 0.0001 0.0002 0.0003
H -0.4327 2.0448 -1.3702 0.0010 -0.0006 0.0002
C -1.1774 2.2303 0.5463 0.0019 -0.0030 0.0056
H -1.1327 1.9799 1.5921 -0.0007 0.0041 -0.0170
H -1.8816 3.0078 0.2925 -0.0062 0.0065 -0.0021
Sn -2.8107 -0.2118 -0.1448 -0.0000 -0.0000 -0.0000
H -3.7490 0.8840 0.8101 0.0001 0.0000 -0.0000
H -2.4446 0.1934 -1.7864 0.0001 0.0000 0.0001
H -3.6341 -1.7572 -0.1535 0.0001 0.0001 0.0000
20
Frequency 3333.32
Pd 1.1079 0.3099 0.1396 0.0004 -0.0005 0.0000
C 2.3304 1.5645 -0.8889 0.0001 0.0003 -0.0012
C 3.2318 2.3715 -0.3539 0.0016 0.0018 -0.0059
H 2.2165 1.5545 -1.9641 -0.0004 -0.0004 0.0052
H 3.3761 2.4562 0.7091 0.0019 0.0013 0.0134
H 3.8569 3.0119 -0.9549 -0.0078 -0.0080 0.0071
Br -0.7097 -1.3155 1.3221 0.0001 0.0002 0.0002
P 3.2127 -1.1136 0.5156 0.0001 -0.0000 -0.0000
H 4.2492 -0.4673 1.1838 -0.0000 0.0000 0.0000
H 3.8990 -1.4505 -0.6483 0.0001 -0.0000 0.0000
H 3.2974 -2.3505 1.1605 0.0000 -0.0000 0.0000
C -0.3437 1.6923 -0.3523 -0.0061 0.0179 -0.0454
H -0.4327 2.0448 -1.3702 0.0096 -0.0500 0.1553
C -1.1774 2.2303 0.5463 -0.0979 0.1509 -0.2554
H -1.1327 1.9799 1.5921 0.0315 -0.1837 0.7812
H -1.8816 3.0078 0.2925 0.3151 -0.3467 0.1015
Sn -2.8107 -0.2118 -0.1448 -0.0002 0.0002 -0.0005
H -3.7490 0.8840 0.8101 0.0007 -0.0008 0.0016
H -2.4446 0.1934 -1.7864 -0.0002 -0.0004 0.0010
H -3.6341 -1.7572 -0.1535 0.0002 -0.0003 0.0004
