17
Frequency 214.10i
H 4.4708 -1.8824 -0.0517 -0.0912 -0.0534 -0.0019
C 3.5411 -1.3505 -0.0271 -0.2299 -0.0367 -0.0008
C 1.1487 0.0296 0.0365 0.0204 0.5704 0.0233
C 2.9445 -1.0495 1.1865 -0.1992 0.0480 -0.0076
C 2.9375 -0.9512 -1.2086 -0.1991 0.0472 0.0126
C 1.7433 -0.2508 -1.1895 -0.0531 0.3066 0.0176
C 1.7503 -0.3503 1.2319 -0.0531 0.3070 0.0079
H 3.4124 -1.3504 2.1034 -0.0799 -0.0177 -0.0012
H 3.4000 -1.1757 -2.1498 -0.0799 -0.0178 0.0002
H 1.2928 0.0932 -2.0978 0.0102 0.1134 0.0019
H 1.3053 -0.0820 2.1680 0.0102 0.1132 0.0073
Br -0.0025 1.9818 0.1200 0.3823 -0.1541 -0.0075
Pd -0.8022 -0.4170 0.0240 -0.1452 -0.2815 -0.0111
P -3.2776 -1.1518 0.0012 0.1404 -0.0390 -0.0020
H -3.7173 -2.4766 -0.0497 -0.0180 0.0065 0.0003
H -4.0886 -0.6630 -1.0244 0.0276 0.0100 0.0043
H -4.0837 -0.7447 1.0654 0.0276 0.0103 -0.0037
17
Frequency 0.17
H 4.4708 -1.8824 -0.0517 -0.0219 0.0110 0.0177
C 3.5411 -1.3505 -0.0271 -0.0587 0.0680 0.0475
C 1.1487 0.0296 0.0365 -0.0148 0.1457 0.0129
C 2.9445 -1.0495 1.1865 -0.0711 0.0792 0.0386
C 2.9375 -0.9512 -1.2086 -0.0239 0.0958 0.0391
C 1.7433 -0.2508 -1.1895 -0.0014 0.1346 0.0219
C 1.7503 -0.3503 1.2319 -0.0491 0.1179 0.0214
H 3.4124 -1.3504 2.1034 -0.0284 0.0167 0.0131
H 3.4000 -1.1757 -2.1498 -0.0040 0.0253 0.0134
H 1.2928 0.0932 -2.0978 0.0077 0.0451 0.0046
H 1.3053 -0.0820 2.1680 -0.0167 0.0366 0.0044
Br -0.0025 1.9818 0.1200 0.1223 0.4712 0.0130
Pd -0.8022 -0.4170 0.0240 -0.0867 0.6234 -0.0773
P -3.2776 -1.1518 0.0012 -0.0846 0.4662 -0.1231
H -3.7173 -2.4766 -0.0497 -0.0275 0.0884 -0.0269
H -4.0886 -0.6630 -1.0244 -0.0051 0.0936 -0.0258
H -4.0837 -0.7447 1.0654 -0.0172 0.0900 -0.0259
17
Frequency 0.32
H 4.4708 -1.8824 -0.0517 0.0493 0.1067 -0.0184
C 3.5411 -1.3505 -0.0271 0.1362 0.3078 -0.0338
C 1.1487 0.0296 0.0365 0.0489 0.1529 0.0421
C 2.9445 -1.0495 1.1865 0.1640 0.2842 -0.0143
C 2.9375 -0.9512 -1.2086 0.0641 0.2536 -0.0153
C 1.7433 -0.2508 -1.1895 0.0193 0.1762 0.0225
C 1.7503 -0.3503 1.2319 0.1202 0.2071 0.0234
H 3.4124 -1.3504 2.1034 0.0636 0.0946 -0.0084
H 3.4000 -1.1757 -2.1498 0.0122 0.0788 -0.0089
H 1.2928 0.0932 -2.0978 -0.0112 0.0393 0.0104
H 1.3053 -0.0820 2.1680 0.0404 0.0551 0.0109
Br -0.0025 1.9818 0.1200 -0.1931 0.2039 0.1611
Pd -0.8022 -0.4170 0.0240 0.2306 0.0768 0.3687
P -3.2776 -1.1518 0.0012 0.1997 -0.2177 0.3694
H -3.7173 -2.4766 -0.0497 0.0605 -0.0478 0.0759
H -4.0886 -0.6630 -1.0244 0.0150 -0.0578 0.0745
H -4.0837 -0.7447 1.0654 0.0406 -0.0512 0.0747
17
Frequency 0.33
H 4.4708 -1.8824 -0.0517 -0.0371 -0.0641 -0.0279
C 3.5411 -1.3505 -0.0271 -0.1033 -0.1804 -0.0405
C 1.1487 0.0296 0.0365 -0.0393 -0.0763 0.1033
C 2.9445 -1.0495 1.1865 -0.0469 -0.2058 -0.0065
C 2.9375 -0.9512 -1.2086 -0.1272 -0.1028 -0.0020
C 1.7433 -0.2508 -1.1895 -0.0952 -0.0503 0.0702
C 1.7503 -0.3503 1.2319 -0.0140 -0.1544 0.0657
H 3.4124 -1.3504 2.1034 -0.0081 -0.0771 -0.0104
H 3.4000 -1.1757 -2.1498 -0.0495 -0.0241 -0.0081
H 1.2928 0.0932 -2.0978 -0.0325 0.0026 0.0293
H 1.3053 -0.0820 2.1680 0.0090 -0.0506 0.0270
Br -0.0025 1.9818 0.1200 0.1311 -0.0733 0.5874
Pd -0.8022 -0.4170 0.0240 -0.1778 0.0341 0.4560
P -3.2776 -1.1518 0.0012 -0.1499 0.1974 0.3366
H -3.7173 -2.4766 -0.0497 -0.0447 0.0420 0.0482
H -4.0886 -0.6630 -1.0244 -0.0315 0.0594 0.0756
H -4.0837 -0.7447 1.0654 -0.0107 0.0323 0.0745
17
Frequency 0.40
H 4.4708 -1.8824 -0.0517 0.0078 -0.0013 0.1711
C 3.5411 -1.3505 -0.0271 0.0228 -0.0064 0.4827
C 1.1487 0.0296 0.0365 0.0126 -0.0114 0.2057
C 2.9445 -1.0495 1.1865 -0.0783 0.0616 0.4161
C 2.9375 -0.9512 -1.2086 0.1188 -0.0768 0.4098
C 1.7433 -0.2508 -1.1895 0.1147 -0.0800 0.2709
C 1.7503 -0.3503 1.2319 -0.0846 0.0599 0.2772
H 3.4124 -1.3504 2.1034 -0.0443 0.0337 0.1369
H 3.4000 -1.1757 -2.1498 0.0572 -0.0376 0.1337
H 1.2928 0.0932 -2.0978 0.0546 -0.0389 0.0620
H 1.3053 -0.0820 2.1680 -0.0472 0.0326 0.0653
Br -0.0025 1.9818 0.1200 -0.0035 -0.0276 -0.0052
Pd -0.8022 -0.4170 0.0240 0.0453 -0.0570 0.2103
P -3.2776 -1.1518 0.0012 0.0317 -0.0470 -0.1475
H -3.7173 -2.4766 -0.0497 0.0083 -0.0099 -0.0133
H -4.0886 -0.6630 -1.0244 0.0303 -0.0280 -0.0553
H -4.0837 -0.7447 1.0654 -0.0207 0.0101 -0.0537
17
Frequency 0.46
H 4.4708 -1.8824 -0.0517 0.0414 -0.0342 -0.0119
C 3.5411 -1.3505 -0.0271 0.1560 -0.0956 -0.0291
C 1.1487 0.0296 0.0365 0.1900 -0.0381 0.0020
C 2.9445 -1.0495 1.1865 0.1610 -0.1125 -0.0225
C 2.9375 -0.9512 -1.2086 0.1683 -0.0499 -0.0199
C 1.7433 -0.2508 -1.1895 0.1855 -0.0209 -0.0041
C 1.7503 -0.3503 1.2319 0.1782 -0.0841 -0.0067
H 3.4124 -1.3504 2.1034 0.0440 -0.0429 -0.0085
H 3.4000 -1.1757 -2.1498 0.0477 -0.0107 -0.0072
H 1.2928 0.0932 -2.0978 0.0568 0.0040 0.0011
H 1.3053 -0.0820 2.1680 0.0531 -0.0283 -0.0002
Br -0.0025 1.9818 0.1200 0.6141 -0.0306 0.1304
Pd -0.8022 -0.4170 0.0240 0.5328 0.0310 -0.0404
P -3.2776 -1.1518 0.0012 0.2583 0.1159 -0.0605
H -3.7173 -2.4766 -0.0497 0.0372 0.0245 -0.0213
H -4.0886 -0.6630 -1.0244 0.0507 0.0346 -0.0076
H -4.0837 -0.7447 1.0654 0.0490 0.0185 -0.0083
17
Frequency 0.60
H 4.4708 -1.8824 -0.0517 0.0131 0.0415 -0.0179
C 3.5411 -1.3505 -0.0271 0.0286 0.1130 -0.0308
C 1.1487 0.0296 0.0365 -0.0140 0.0355 0.0505
C 2.9445 -1.0495 1.1865 -0.0302 -0.0625 -0.0161
C 2.9375 -0.9512 -1.2086 0.0657 0.2495 -0.0036
C 1.7433 -0.2508 -1.1895 0.0447 0.2125 0.0385
C 1.7503 -0.3503 1.2319 -0.0523 -0.1030 0.0258
H 3.4124 -1.3504 2.1034 -0.0172 -0.0488 -0.0105
H 3.4000 -1.1757 -2.1498 0.0322 0.1118 -0.0040
H 1.2928 0.0932 -2.0978 0.0209 0.0922 0.0188
H 1.3053 -0.0820 2.1680 -0.0286 -0.0690 0.0123
Br -0.0025 1.9818 0.1200 -0.1907 -0.0226 0.6644
Pd -0.8022 -0.4170 0.0240 -0.0016 -0.0578 -0.2624
P -3.2776 -1.1518 0.0012 0.0348 -0.1416 -0.4591
H -3.7173 -2.4766 -0.0497 0.0180 -0.0273 -0.1391
H -4.0886 -0.6630 -1.0244 0.0142 0.0071 -0.0736
H -4.0837 -0.7447 1.0654 -0.0097 -0.0733 -0.0767
17
Frequency 28.99
H 4.4708 -1.8824 -0.0517 -0.0000 0.0013 -0.0296
C 3.5411 -1.3505 -0.0271 -0.0001 0.0034 -0.0742
C 1.1487 0.0296 0.0365 0.0000 0.0001 -0.0015
C 2.9445 -1.0495 1.1865 0.0450 0.0183 -0.0556
C 2.9375 -0.9512 -1.2086 -0.0451 -0.0132 -0.0566
C 1.7433 -0.2508 -1.1895 -0.0455 -0.0149 -0.0204
C 1.7503 -0.3503 1.2319 0.0455 0.0168 -0.0193
H 3.4124 -1.3504 2.1034 0.0232 0.0089 -0.0201
H 3.4000 -1.1757 -2.1498 -0.0232 -0.0071 -0.0206
H 1.2928 0.0932 -2.0978 -0.0232 -0.0077 -0.0022
H 1.3053 -0.0820 2.1680 0.0232 0.0079 -0.0017
Br -0.0025 1.9818 0.1200 -0.0003 -0.0016 0.0374
Pd -0.8022 -0.4170 0.0240 0.0007 -0.0076 0.1771
P -3.2776 -1.1518 0.0012 -0.0005 0.0078 -0.1915
H -3.7173 -2.4766 -0.0497 0.0010 -0.0182 0.4676
H -4.0886 -0.6630 -1.0244 0.1514 -0.4349 -0.3628
H -4.0837 -0.7447 1.0654 -0.1529 0.4622 -0.3270
17
Frequency 40.69
H 4.4708 -1.8824 -0.0517 0.0429 0.0687 0.0026
C 3.5411 -1.3505 -0.0271 0.1123 0.1751 0.0066
C 1.1487 0.0296 0.0365 0.0215 0.0239 0.0009
C 2.9445 -1.0495 1.1865 0.0886 0.1350 0.0050
C 2.9375 -0.9512 -1.2086 0.0882 0.1348 0.0053
C 1.7433 -0.2508 -1.1895 0.0439 0.0585 0.0023
C 1.7503 -0.3503 1.2319 0.0443 0.0587 0.0021
H 3.4124 -1.3504 2.1034 0.0306 0.0479 0.0018
H 3.4000 -1.1757 -2.1498 0.0304 0.0477 0.0018
H 1.2928 0.0932 -2.0978 0.0077 0.0094 0.0003
H 1.3053 -0.0820 2.1680 0.0079 0.0096 0.0004
Br -0.0025 1.9818 0.1200 -0.2130 -0.2382 -0.0091
Pd -0.8022 -0.4170 0.0240 0.1234 -0.4205 -0.0170
P -3.2776 -1.1518 0.0012 -0.1372 0.6516 0.0265
H -3.7173 -2.4766 -0.0497 -0.1709 0.1659 0.0066
H -4.0886 -0.6630 -1.0244 0.0236 0.2070 0.0091
H -4.0837 -0.7447 1.0654 0.0240 0.2063 0.0078
17
Frequency 45.60
H 4.4708 -1.8824 -0.0517 0.0002 -0.0022 0.0557
C 3.5411 -1.3505 -0.0271 0.0006 -0.0052 0.1325
C 1.1487 0.0296 0.0365 -0.0000 0.0011 -0.0268
C 2.9445 -1.0495 1.1865 -0.1571 -0.1443 0.0877
C 2.9375 -0.9512 -1.2086 0.1579 0.1371 0.0983
C 1.7433 -0.2508 -1.1895 0.1586 0.1385 0.0195
C 1.7503 -0.3503 1.2319 -0.1584 -0.1395 0.0090
H 3.4124 -1.3504 2.1034 -0.0813 -0.0732 0.0334
H 3.4000 -1.1757 -2.1498 0.0816 0.0704 0.0388
H 1.2928 0.0932 -2.0978 0.0800 0.0690 -0.0003
H 1.3053 -0.0820 2.1680 -0.0800 -0.0687 -0.0054
Br -0.0025 1.9818 0.1200 -0.0001 -0.0029 0.0632
Pd -0.8022 -0.4170 0.0240 -0.0014 0.0203 -0.5086
P -3.2776 -1.1518 0.0012 0.0014 -0.0211 0.5351
H -3.7173 -2.4766 -0.0497 0.0009 -0.0133 0.3374
H -4.0886 -0.6630 -1.0244 -0.0461 -0.1773 0.0503
H -4.0837 -0.7447 1.0654 0.0464 0.1727 0.0638
17
Frequency 97.19
H 4.4708 -1.8824 -0.0517 -0.0001 0.0006 -0.0177
C 3.5411 -1.3505 -0.0271 -0.0003 0.0017 -0.0475
C 1.1487 0.0296 0.0365 -0.0000 0.0010 -0.0235
C 2.9445 -1.0495 1.1865 -0.1699 -0.3281 -0.0564
C 2.9375 -0.9512 -1.2086 0.1695 0.3313 -0.0303
C 1.7433 -0.2508 -1.1895 0.1632 0.3055 -0.0147
C 1.7503 -0.3503 1.2319 -0.1633 -0.3033 -0.0388
H 3.4124 -1.3504 2.1034 -0.0899 -0.1703 -0.0203
H 3.4000 -1.1757 -2.1498 0.0897 0.1712 -0.0068
H 1.2928 0.0932 -2.0978 0.0792 0.1511 0.0042
H 1.3053 -0.0820 2.1680 -0.0792 -0.1509 -0.0077
Br -0.0025 1.9818 0.1200 -0.0014 0.0148 -0.3576
Pd -0.8022 -0.4170 0.0240 0.0016 -0.0181 0.4430
P -3.2776 -1.1518 0.0012 0.0001 0.0034 -0.0820
H -3.7173 -2.4766 -0.0497 -0.0003 0.0032 -0.0799
H -4.0886 -0.6630 -1.0244 0.0484 0.0363 -0.0359
H -4.0837 -0.7447 1.0654 -0.0483 -0.0331 -0.0384
17
Frequency 102.64
H 4.4708 -1.8824 -0.0517 0.1004 0.1623 0.0064
C 3.5411 -1.3505 -0.0271 0.2218 0.3424 0.0134
C 1.1487 0.0296 0.0365 -0.0507 -0.1077 -0.0043
C 2.9445 -1.0495 1.1865 0.1361 0.1994 0.0066
C 2.9375 -0.9512 -1.2086 0.1363 0.1998 0.0089
C 1.7433 -0.2508 -1.1895 -0.0002 -0.0364 0.0018
C 1.7503 -0.3503 1.2319 -0.0004 -0.0366 -0.0049
H 3.4124 -1.3504 2.1034 0.0548 0.0858 0.0033
H 3.4000 -1.1757 -2.1498 0.0549 0.0861 0.0034
H 1.2928 0.0932 -2.0978 -0.0114 -0.0279 -0.0004
H 1.3053 -0.0820 2.1680 -0.0115 -0.0281 -0.0018
Br -0.0025 1.9818 0.1200 0.5186 -0.2161 -0.0107
Pd -0.8022 -0.4170 0.0240 -0.3942 0.0493 0.0036
P -3.2776 -1.1518 0.0012 -0.3706 -0.1245 -0.0041
H -3.7173 -2.4766 -0.0497 -0.0294 -0.0349 -0.0014
H -4.0886 -0.6630 -1.0244 -0.0798 -0.0457 -0.0018
H -4.0837 -0.7447 1.0654 -0.0800 -0.0459 -0.0016
17
Frequency 163.13
H 4.4708 -1.8824 -0.0517 0.0363 0.0659 0.0026
C 3.5411 -1.3505 -0.0271 0.0596 0.1130 0.0045
C 1.1487 0.0296 0.0365 -0.0613 -0.1045 -0.0041
C 2.9445 -1.0495 1.1865 0.0140 0.0316 0.0019
C 2.9375 -0.9512 -1.2086 0.0140 0.0317 0.0006
C 1.7433 -0.2508 -1.1895 -0.0534 -0.0841 -0.0018
C 1.7503 -0.3503 1.2319 -0.0534 -0.0840 -0.0048
H 3.4124 -1.3504 2.1034 0.0109 0.0211 0.0009
H 3.4000 -1.1757 -2.1498 0.0108 0.0211 0.0007
H 1.2928 0.0932 -2.0978 -0.0233 -0.0361 -0.0011
H 1.3053 -0.0820 2.1680 -0.0233 -0.0360 -0.0017
Br -0.0025 1.9818 0.1200 -0.0244 -0.3025 -0.0123
Pd -0.8022 -0.4170 0.0240 -0.3959 0.1690 0.0081
P -3.2776 -1.1518 0.0012 0.7411 0.2177 0.0067
H -3.7173 -2.4766 -0.0497 0.1947 0.0193 0.0003
H -4.0886 -0.6630 -1.0244 0.1136 0.0012 -0.0005
H -4.0837 -0.7447 1.0654 0.1135 0.0011 -0.0000
17
Frequency 205.15
H 4.4708 -1.8824 -0.0517 0.0254 0.0971 0.0039
C 3.5411 -1.3505 -0.0271 -0.0130 0.1595 0.0066
C 1.1487 0.0296 0.0365 -0.1610 -0.1777 -0.0068
C 2.9445 -1.0495 1.1865 -0.0770 0.0300 0.0081
C 2.9375 -0.9512 -1.2086 -0.0771 0.0306 -0.0052
C 1.7433 -0.2508 -1.1895 -0.1767 -0.1435 -0.0140
C 1.7503 -0.3503 1.2319 -0.1766 -0.1443 0.0033
H 3.4124 -1.3504 2.1034 -0.0109 0.0246 0.0017
H 3.4000 -1.1757 -2.1498 -0.0109 0.0247 0.0004
H 1.2928 0.0932 -2.0978 -0.0654 -0.0560 -0.0027
H 1.3053 -0.0820 2.1680 -0.0653 -0.0560 -0.0015
Br -0.0025 1.9818 0.1200 0.2265 0.6528 0.0261
Pd -0.8022 -0.4170 0.0240 -0.0628 -0.5067 -0.0206
P -3.2776 -1.1518 0.0012 0.1849 0.0351 0.0009
H -3.7173 -2.4766 -0.0497 0.0142 0.0134 0.0005
H -4.0886 -0.6630 -1.0244 0.0443 0.0220 -0.0004
H -4.0837 -0.7447 1.0654 0.0445 0.0219 0.0019
17
Frequency 214.35
H 4.4708 -1.8824 -0.0517 -0.0003 0.0047 -0.1150
C 3.5411 -1.3505 -0.0271 -0.0005 0.0063 -0.1549
C 1.1487 0.0296 0.0365 0.0014 -0.0195 0.4772
C 2.9445 -1.0495 1.1865 0.2334 -0.1341 -0.0037
C 2.9375 -0.9512 -1.2086 -0.2334 0.1339 0.0087
C 1.7433 -0.2508 -1.1895 -0.2086 0.1237 0.3519
C 1.7503 -0.3503 1.2319 0.2107 -0.1520 0.3394
H 3.4124 -1.3504 2.1034 0.1223 -0.0726 -0.0398
H 3.4000 -1.1757 -2.1498 -0.1225 0.0756 -0.0330
H 1.2928 0.0932 -2.0978 -0.1085 0.0796 0.1431
H 1.3053 -0.0820 2.1680 0.1094 -0.0910 0.1354
Br -0.0025 1.9818 0.1200 -0.0007 0.0089 -0.2192
Pd -0.8022 -0.4170 0.0240 -0.0005 0.0071 -0.1718
P -3.2776 -1.1518 0.0012 -0.0001 0.0008 -0.0173
H -3.7173 -2.4766 -0.0497 0.0005 -0.0029 0.0711
H -4.0886 -0.6630 -1.0244 -0.0872 -0.0290 0.0520
H -4.0837 -0.7447 1.0654 0.0873 0.0245 0.0537
17
Frequency 300.65
H 4.4708 -1.8824 -0.0517 -0.0151 0.1484 0.0061
C 3.5411 -1.3505 -0.0271 -0.1775 0.2914 0.0125
C 1.1487 0.0296 0.0365 -0.1753 -0.0572 -0.0018
C 2.9445 -1.0495 1.1865 -0.2521 0.0764 0.0317
C 2.9375 -0.9512 -1.2086 -0.2523 0.0787 -0.0239
C 1.7433 -0.2508 -1.1895 -0.3300 -0.1052 -0.0376
C 1.7503 -0.3503 1.2319 -0.3297 -0.1080 0.0308
H 3.4124 -1.3504 2.1034 -0.0631 0.0194 0.0030
H 3.4000 -1.1757 -2.1498 -0.0631 0.0196 -0.0010
H 1.2928 0.0932 -2.0978 -0.1322 -0.0564 -0.0024
H 1.3053 -0.0820 2.1680 -0.1322 -0.0565 -0.0014
Br -0.0025 1.9818 0.1200 0.0762 -0.3034 -0.0127
Pd -0.8022 -0.4170 0.0240 0.5056 0.2020 0.0067
P -3.2776 -1.1518 0.0012 -0.0327 -0.0190 -0.0006
H -3.7173 -2.4766 -0.0497 -0.0260 0.0033 0.0001
H -4.0886 -0.6630 -1.0244 0.0026 0.0113 0.0001
H -4.0837 -0.7447 1.0654 0.0024 0.0113 0.0006
17
Frequency 327.01
H 4.4708 -1.8824 -0.0517 0.0000 0.0006 -0.0141
C 3.5411 -1.3505 -0.0271 0.0002 0.0006 -0.0142
C 1.1487 0.0296 0.0365 0.0003 -0.0029 0.0681
C 2.9445 -1.0495 1.1865 0.0418 -0.0011 0.0086
C 2.9375 -0.9512 -1.2086 -0.0414 0.0002 0.0089
C 1.7433 -0.2508 -1.1895 -0.0254 0.0184 0.0577
C 1.7503 -0.3503 1.2319 0.0260 -0.0234 0.0558
H 3.4124 -1.3504 2.1034 0.0231 0.0003 -0.0029
H 3.4000 -1.1757 -2.1498 -0.0231 -0.0001 -0.0027
H 1.2928 0.0932 -2.0978 -0.0117 0.0147 0.0225
H 1.3053 -0.0820 2.1680 0.0119 -0.0167 0.0211
Br -0.0025 1.9818 0.1200 0.0000 0.0005 -0.0089
Pd -0.8022 -0.4170 0.0240 -0.0011 0.0068 -0.1514
P -3.2776 -1.1518 0.0012 0.0016 -0.0157 0.3398
H -3.7173 -2.4766 -0.0497 -0.0054 0.0146 -0.3447
H -4.0886 -0.6630 -1.0244 0.5156 0.1325 -0.2844
H -4.0837 -0.7447 1.0654 -0.5136 -0.1049 -0.2914
17
Frequency 332.17
H 4.4708 -1.8824 -0.0517 -0.0130 -0.0083 -0.0004
C 3.5411 -1.3505 -0.0271 -0.0316 -0.0057 -0.0002
C 1.1487 0.0296 0.0365 -0.0096 0.0124 0.0008
C 2.9445 -1.0495 1.1865 -0.0152 0.0148 0.0038
C 2.9375 -0.9512 -1.2086 -0.0156 0.0150 -0.0024
C 1.7433 -0.2508 -1.1895 -0.0042 0.0285 -0.0027
C 1.7503 -0.3503 1.2319 -0.0040 0.0280 0.0055
H 3.4124 -1.3504 2.1034 -0.0027 0.0043 0.0003
H 3.4000 -1.1757 -2.1498 -0.0029 0.0043 0.0001
H 1.2928 0.0932 -2.0978 0.0010 0.0149 0.0006
H 1.3053 -0.0820 2.1680 0.0010 0.0148 0.0008
Br -0.0025 1.9818 0.1200 -0.0147 -0.0100 -0.0004
Pd -0.8022 -0.4170 0.0240 0.0851 -0.1215 -0.0059
P -3.2776 -1.1518 0.0012 -0.1113 0.3388 0.0159
H -3.7173 -2.4766 -0.0497 0.6566 -0.1644 -0.0104
H -4.0886 -0.6630 -1.0244 -0.2402 -0.3660 -0.0255
H -4.0837 -0.7447 1.0654 -0.2474 -0.3685 -0.0062
17
Frequency 469.05
H 4.4708 -1.8824 -0.0517 -0.0000 0.0000 -0.0007
C 3.5411 -1.3505 -0.0271 0.0000 -0.0004 0.0101
C 1.1487 0.0296 0.0365 -0.0001 0.0008 -0.0210
C 2.9445 -1.0495 1.1865 0.2070 0.3475 0.0156
C 2.9375 -0.9512 -1.2086 -0.2070 -0.3476 -0.0117
C 1.7433 -0.2508 -1.1895 0.2205 0.3713 0.0007
C 1.7503 -0.3503 1.2319 -0.2206 -0.3701 -0.0285
H 3.4124 -1.3504 2.1034 0.1340 0.2340 0.0105
H 3.4000 -1.1757 -2.1498 -0.1340 -0.2341 -0.0080
H 1.2928 0.0932 -2.0978 0.1455 0.2354 0.0083
H 1.3053 -0.0820 2.1680 -0.1455 -0.2353 -0.0102
Br -0.0025 1.9818 0.1200 -0.0000 0.0003 -0.0079
Pd -0.8022 -0.4170 0.0240 0.0001 -0.0009 0.0224
P -3.2776 -1.1518 0.0012 -0.0000 0.0005 -0.0112
H -3.7173 -2.4766 -0.0497 0.0000 -0.0003 0.0082
H -4.0886 -0.6630 -1.0244 -0.0130 -0.0029 0.0071
H -4.0837 -0.7447 1.0654 0.0130 0.0023 0.0072
17
Frequency 490.64
H 4.4708 -1.8824 -0.0517 0.1675 0.1899 0.0073
C 3.5411 -1.3505 -0.0271 0.3609 0.2776 0.0103
C 1.1487 0.0296 0.0365 0.2065 0.5535 0.0221
C 2.9445 -1.0495 1.1865 -0.0278 -0.2488 -0.0582
C 2.9375 -0.9512 -1.2086 -0.0275 -0.2528 0.0378
C 1.7433 -0.2508 -1.1895 -0.0253 -0.1931 0.0418
C 1.7503 -0.3503 1.2319 -0.0256 -0.1890 -0.0574
H 3.4124 -1.3504 2.1034 -0.0891 -0.1769 -0.0094
H 3.4000 -1.1757 -2.1498 -0.0891 -0.1771 -0.0046
H 1.2928 0.0932 -2.0978 -0.0477 -0.1828 -0.0176
H 1.3053 -0.0820 2.1680 -0.0476 -0.1837 0.0029
Br -0.0025 1.9818 0.1200 -0.0994 0.0564 0.0026
Pd -0.8022 -0.4170 0.0240 -0.0362 0.0187 0.0009
P -3.2776 -1.1518 0.0012 -0.0369 0.0118 0.0006
H -3.7173 -2.4766 -0.0497 0.0110 -0.0046 -0.0002
H -4.0886 -0.6630 -1.0244 -0.0234 -0.0183 0.0023
H -4.0837 -0.7447 1.0654 -0.0235 -0.0181 -0.0036
17
Frequency 695.84
H 4.4708 -1.8824 -0.0517 -0.0003 0.0041 -0.1002
C 3.5411 -1.3505 -0.0271 0.0006 -0.0086 0.2083
C 1.1487 0.0296 0.0365 -0.0007 0.0087 -0.2107
C 2.9445 -1.0495 1.1865 0.2911 -0.1905 0.3227
C 2.9375 -0.9512 -1.2086 -0.2892 0.1633 0.3389
C 1.7433 -0.2508 -1.1895 -0.2819 0.1716 -0.2883
C 1.7503 -0.3503 1.2319 0.2801 -0.1473 -0.3030
H 3.4124 -1.3504 2.1034 0.0358 -0.0248 0.1280
H 3.4000 -1.1757 -2.1498 -0.0350 0.0143 0.1298
H 1.2928 0.0932 -2.0978 -0.0358 0.0093 -0.1210
H 1.3053 -0.0820 2.1680 0.0351 0.0007 -0.1215
Br -0.0025 1.9818 0.1200 -0.0000 0.0003 -0.0075
Pd -0.8022 -0.4170 0.0240 -0.0000 0.0003 -0.0080
P -3.2776 -1.1518 0.0012 0.0000 0.0000 -0.0001
H -3.7173 -2.4766 -0.0497 -0.0000 0.0000 -0.0004
H -4.0886 -0.6630 -1.0244 0.0002 -0.0001 -0.0003
H -4.0837 -0.7447 1.0654 -0.0002 0.0001 -0.0003
17
Frequency 722.94
H 4.4708 -1.8824 -0.0517 -0.0709 0.1141 0.0049
C 3.5411 -1.3505 -0.0271 -0.2681 0.3549 0.0154
C 1.1487 0.0296 0.0365 0.4398 -0.2161 -0.0102
C 2.9445 -1.0495 1.1865 -0.0490 -0.1332 0.2944
C 2.9375 -0.9512 -1.2086 -0.0508 -0.1086 -0.3040
C 1.7433 -0.2508 -1.1895 0.1198 0.1001 -0.3089
C 1.7503 -0.3503 1.2319 0.1217 0.0744 0.3153
H 3.4124 -1.3504 2.1034 0.0244 -0.1815 0.0190
H 3.4000 -1.1757 -2.1498 0.0243 -0.1794 -0.0339
H 1.2928 0.0932 -2.0978 -0.0662 0.0496 -0.0312
H 1.3053 -0.0820 2.1680 -0.0660 0.0468 0.0355
Br -0.0025 1.9818 0.1200 -0.0062 0.0186 0.0008
Pd -0.8022 -0.4170 0.0240 -0.0833 -0.0238 -0.0007
P -3.2776 -1.1518 0.0012 -0.0021 -0.0023 -0.0001
H -3.7173 -2.4766 -0.0497 -0.0048 0.0004 0.0000
H -4.0886 -0.6630 -1.0244 -0.0024 -0.0020 0.0007
H -4.0837 -0.7447 1.0654 -0.0024 -0.0019 -0.0008
17
Frequency 799.07
H 4.4708 -1.8824 -0.0517 0.2300 0.3437 0.0134
C 3.5411 -1.3505 -0.0271 0.2065 0.1598 0.0060
C 1.1487 0.0296 0.0365 -0.2468 -0.2432 -0.0093
C 2.9445 -1.0495 1.1865 -0.1985 -0.2901 -0.0969
C 2.9375 -0.9512 -1.2086 -0.1980 -0.2971 0.0739
C 1.7433 -0.2508 -1.1895 0.0842 0.1887 0.0907
C 1.7503 -0.3503 1.2319 0.0837 0.1955 -0.0754
H 3.4124 -1.3504 2.1034 -0.0338 0.0177 -0.0072
H 3.4000 -1.1757 -2.1498 -0.0338 0.0171 0.0088
H 1.2928 0.0932 -2.0978 0.2016 0.3051 0.0345
H 1.3053 -0.0820 2.1680 0.2015 0.3070 -0.0106
Br -0.0025 1.9818 0.1200 0.0015 -0.0097 -0.0004
Pd -0.8022 -0.4170 0.0240 0.0317 0.0084 0.0002
P -3.2776 -1.1518 0.0012 0.0023 -0.0015 -0.0001
H -3.7173 -2.4766 -0.0497 0.0025 -0.0005 -0.0000
H -4.0886 -0.6630 -1.0244 0.0050 0.0035 -0.0015
H -4.0837 -0.7447 1.0654 0.0051 0.0034 0.0017
17
Frequency 840.08
H 4.4708 -1.8824 -0.0517 0.1735 0.3494 0.0138
C 3.5411 -1.3505 -0.0271 -0.2044 -0.1913 -0.0073
C 1.1487 0.0296 0.0365 0.1932 0.2634 0.0102
C 2.9445 -1.0495 1.1865 0.0292 -0.0535 0.0933
C 2.9375 -0.9512 -1.2086 0.0286 -0.0457 -0.0975
C 1.7433 -0.2508 -1.1895 -0.0918 -0.2149 -0.1141
C 1.7503 -0.3503 1.2319 -0.0911 -0.2235 0.0966
H 3.4124 -1.3504 2.1034 0.2720 0.3685 0.0194
H 3.4000 -1.1757 -2.1498 0.2720 0.3689 0.0093
H 1.2928 0.0932 -2.0978 0.1045 0.1730 -0.0095
H 1.3053 -0.0820 2.1680 0.1046 0.1717 0.0230
Br -0.0025 1.9818 0.1200 -0.0307 0.0130 0.0006
Pd -0.8022 -0.4170 0.0240 -0.0127 0.0062 0.0003
P -3.2776 -1.1518 0.0012 -0.0031 0.0014 0.0001
H -3.7173 -2.4766 -0.0497 -0.0120 0.0031 0.0001
H -4.0886 -0.6630 -1.0244 -0.0133 -0.0062 0.0053
H -4.0837 -0.7447 1.0654 -0.0133 -0.0058 -0.0057
17
Frequency 961.10
H 4.4708 -1.8824 -0.0517 -0.0000 0.0002 -0.0039
C 3.5411 -1.3505 -0.0271 0.0000 -0.0004 0.0103
C 1.1487 0.0296 0.0365 0.0000 -0.0002 0.0060
C 2.9445 -1.0495 1.1865 -0.0710 -0.1801 -0.0184
C 2.9375 -0.9512 -1.2086 0.0709 0.1811 -0.0040
C 1.7433 -0.2508 -1.1895 0.1573 0.2030 0.0251
C 1.7503 -0.3503 1.2319 -0.1572 -0.2044 0.0093
H 3.4124 -1.3504 2.1034 0.2077 0.3281 0.0031
H 3.4000 -1.1757 -2.1498 -0.2077 -0.3273 -0.0226
H 1.2928 0.0932 -2.0978 -0.2493 -0.4273 -0.0310
H 1.3053 -0.0820 2.1680 0.2493 0.4284 0.0026
Br -0.0025 1.9818 0.1200 -0.0000 0.0000 -0.0012
Pd -0.8022 -0.4170 0.0240 -0.0000 0.0001 -0.0032
P -3.2776 -1.1518 0.0012 0.0000 -0.0000 0.0001
H -3.7173 -2.4766 -0.0497 -0.0000 0.0001 -0.0019
H -4.0886 -0.6630 -1.0244 0.0002 -0.0005 -0.0006
H -4.0837 -0.7447 1.0654 -0.0002 0.0006 -0.0006
17
Frequency 1032.75
H 4.4708 -1.8824 -0.0517 0.2263 0.4358 0.0172
C 3.5411 -1.3505 -0.0271 -0.1938 -0.2118 -0.0081
C 1.1487 0.0296 0.0365 0.1373 -0.1392 -0.0061
C 2.9445 -1.0495 1.1865 -0.0957 -0.0072 -0.0844
C 2.9375 -0.9512 -1.2086 -0.0952 -0.0141 0.0841
C 1.7433 -0.2508 -1.1895 0.1601 0.2060 0.1530
C 1.7503 -0.3503 1.2319 0.1593 0.2179 -0.1365
H 3.4124 -1.3504 2.1034 0.0115 0.1172 -0.0087
H 3.4000 -1.1757 -2.1498 0.0116 0.1161 0.0182
H 1.2928 0.0932 -2.0978 -0.2424 -0.3715 0.0274
H 1.3053 -0.0820 2.1680 -0.2427 -0.3680 -0.0564
Br -0.0025 1.9818 0.1200 0.0133 -0.0004 -0.0001
Pd -0.8022 -0.4170 0.0240 -0.0137 -0.0102 -0.0004
P -3.2776 -1.1518 0.0012 -0.0037 -0.0003 -0.0000
H -3.7173 -2.4766 -0.0497 0.0110 -0.0035 -0.0002
H -4.0886 -0.6630 -1.0244 0.0101 0.0029 -0.0058
H -4.0837 -0.7447 1.0654 0.0102 0.0025 0.0060
17
Frequency 1080.67
H 4.4708 -1.8824 -0.0517 0.2051 0.0612 0.0019
C 3.5411 -1.3505 -0.0271 0.3646 -0.3178 -0.0141
C 1.1487 0.0296 0.0365 -0.3408 0.0656 0.0037
C 2.9445 -1.0495 1.1865 0.0880 -0.0576 0.1895
C 2.9375 -0.9512 -1.2086 0.0869 -0.0418 -0.1941
C 1.7433 -0.2508 -1.1895 -0.1440 0.2120 -0.3744
C 1.7503 -0.3503 1.2319 -0.1418 0.1805 0.3914
H 3.4124 -1.3504 2.1034 0.0088 -0.0224 0.0733
H 3.4000 -1.1757 -2.1498 0.0083 -0.0163 -0.0749
H 1.2928 0.0932 -2.0978 -0.1213 -0.0834 -0.1358
H 1.3053 -0.0820 2.1680 -0.1206 -0.0943 0.1292
Br -0.0025 1.9818 0.1200 0.0069 -0.0098 -0.0004
Pd -0.8022 -0.4170 0.0240 0.0239 0.0095 0.0003
P -3.2776 -1.1518 0.0012 -0.0092 -0.0026 -0.0001
H -3.7173 -2.4766 -0.0497 0.0245 -0.0072 -0.0003
H -4.0886 -0.6630 -1.0244 0.0202 0.0130 -0.0092
H -4.0837 -0.7447 1.0654 0.0202 0.0122 0.0101
17
Frequency 1119.59
H 4.4708 -1.8824 -0.0517 0.0721 -0.0978 -0.0042
C 3.5411 -1.3505 -0.0271 0.3232 -0.1545 -0.0073
C 1.1487 0.0296 0.0365 0.3556 -0.1111 -0.0056
C 2.9445 -1.0495 1.1865 -0.0569 0.0203 0.2476
C 2.9375 -0.9512 -1.2086 -0.0583 0.0405 -0.2448
C 1.7433 -0.2508 -1.1895 -0.1446 0.0230 0.2078
C 1.7503 -0.3503 1.2319 -0.1458 0.0399 -0.2044
H 3.4124 -1.3504 2.1034 -0.1933 0.1182 0.2036
H 3.4000 -1.1757 -2.1498 -0.1945 0.1344 -0.1920
H 1.2928 0.0932 -2.0978 -0.2060 0.1762 0.2089
H 1.3053 -0.0820 2.1680 -0.2071 0.1926 -0.1925
Br -0.0025 1.9818 0.1200 -0.0023 0.0039 0.0002
Pd -0.8022 -0.4170 0.0240 -0.0177 -0.0065 -0.0002
P -3.2776 -1.1518 0.0012 0.0489 0.0115 0.0003
H -3.7173 -2.4766 -0.0497 -0.1059 0.0337 0.0016
H -4.0886 -0.6630 -1.0244 -0.0894 -0.0511 0.0454
H -4.0837 -0.7447 1.0654 -0.0897 -0.0474 -0.0488
17
Frequency 1129.14
H 4.4708 -1.8824 -0.0517 -0.0227 0.0441 0.0019
C 3.5411 -1.3505 -0.0271 -0.1409 0.0639 0.0030
C 1.1487 0.0296 0.0365 -0.2646 0.1213 0.0058
C 2.9445 -1.0495 1.1865 0.1141 -0.0738 0.3237
C 2.9375 -0.9512 -1.2086 0.1122 -0.0469 -0.3293
C 1.7433 -0.2508 -1.1895 0.0784 -0.0413 0.2229
C 1.7503 -0.3503 1.2319 0.0771 -0.0229 -0.2260
H 3.4124 -1.3504 2.1034 -0.0073 -0.0183 0.1190
H 3.4000 -1.1757 -2.1498 -0.0080 -0.0085 -0.1201
H 1.2928 0.0932 -2.0978 -0.0258 0.0007 0.0912
H 1.3053 -0.0820 2.1680 -0.0263 0.0082 -0.0907
Br -0.0025 1.9818 0.1200 0.0035 -0.0058 -0.0002
Pd -0.8022 -0.4170 0.0240 0.0129 0.0025 0.0001
P -3.2776 -1.1518 0.0012 -0.1760 -0.0374 -0.0011
H -3.7173 -2.4766 -0.0497 0.3650 -0.1178 -0.0055
H -4.0886 -0.6630 -1.0244 0.3100 0.1687 -0.1627
H -4.0837 -0.7447 1.0654 0.3108 0.1555 0.1739
17
Frequency 1137.63
H 4.4708 -1.8824 -0.0517 0.0226 -0.0897 -0.0037
C 3.5411 -1.3505 -0.0271 0.2150 -0.0781 -0.0038
C 1.1487 0.0296 0.0365 0.4041 -0.1147 -0.0059
C 2.9445 -1.0495 1.1865 -0.1410 0.0753 -0.2578
C 2.9375 -0.9512 -1.2086 -0.1394 0.0539 0.2639
C 1.7433 -0.2508 -1.1895 -0.1131 0.0250 -0.1508
C 1.7503 -0.3503 1.2319 -0.1121 0.0125 0.1530
H 3.4124 -1.3504 2.1034 -0.0373 0.0657 -0.0646
H 3.4000 -1.1757 -2.1498 -0.0369 0.0600 0.0699
H 1.2928 0.0932 -2.0978 -0.0222 0.0667 -0.0231
H 1.3053 -0.0820 2.1680 -0.0221 0.0645 0.0286
Br -0.0025 1.9818 0.1200 -0.0011 0.0005 0.0000
Pd -0.8022 -0.4170 0.0240 -0.0268 -0.0077 -0.0002
P -3.2776 -1.1518 0.0012 -0.1786 -0.0354 -0.0010
H -3.7173 -2.4766 -0.0497 0.3606 -0.1177 -0.0055
H -4.0886 -0.6630 -1.0244 0.3094 0.1622 -0.1663
H -4.0837 -0.7447 1.0654 0.3101 0.1488 0.1770
17
Frequency 1140.91
H 4.4708 -1.8824 -0.0517 -0.0002 0.0024 -0.0587
C 3.5411 -1.3505 -0.0271 0.0000 -0.0003 0.0076
C 1.1487 0.0296 0.0365 0.0001 -0.0007 0.0167
C 2.9445 -1.0495 1.1865 0.2339 0.2044 0.0080
C 2.9375 -0.9512 -1.2086 -0.2339 -0.2044 -0.0073
C 1.7433 -0.2508 -1.1895 0.2141 0.1372 0.0141
C 1.7503 -0.3503 1.2319 -0.2140 -0.1380 0.0041
H 3.4124 -1.3504 2.1034 -0.1795 -0.4271 -0.0298
H 3.4000 -1.1757 -2.1498 0.1795 0.4282 0.0043
H 1.2928 0.0932 -2.0978 -0.1092 -0.3282 -0.0489
H 1.3053 -0.0820 2.1680 0.1090 0.3311 -0.0224
Br -0.0025 1.9818 0.1200 0.0000 -0.0001 0.0020
Pd -0.8022 -0.4170 0.0240 -0.0000 0.0000 -0.0010
P -3.2776 -1.1518 0.0012 -0.0000 -0.0000 0.0005
H -3.7173 -2.4766 -0.0497 0.0001 0.0001 -0.0028
H -4.0886 -0.6630 -1.0244 -0.0003 -0.0013 -0.0005
H -4.0837 -0.7447 1.0654 0.0004 0.0014 -0.0003
17
Frequency 1173.45
H 4.4708 -1.8824 -0.0517 0.0012 -0.0169 0.4097
C 3.5411 -1.3505 -0.0271 0.0008 -0.0105 0.2564
C 1.1487 0.0296 0.0365 0.0005 -0.0076 0.1860
C 2.9445 -1.0495 1.1865 -0.1494 0.1633 -0.1564
C 2.9375 -0.9512 -1.2086 0.1484 -0.1499 -0.1701
C 1.7433 -0.2508 -1.1895 -0.2350 0.2205 -0.1282
C 1.7503 -0.3503 1.2319 0.2343 -0.2092 -0.1472
H 3.4124 -1.3504 2.1034 -0.2239 0.0286 0.0334
H 3.4000 -1.1757 -2.1498 0.2241 -0.0310 0.0297
H 1.2928 0.0932 -2.0978 -0.3278 0.0741 0.0875
H 1.3053 -0.0820 2.1680 0.3283 -0.0810 0.0792
Br -0.0025 1.9818 0.1200 -0.0000 0.0002 -0.0059
Pd -0.8022 -0.4170 0.0240 -0.0000 0.0002 -0.0042
P -3.2776 -1.1518 0.0012 0.0000 -0.0001 0.0025
H -3.7173 -2.4766 -0.0497 -0.0000 0.0002 -0.0054
H -4.0886 -0.6630 -1.0244 0.0001 -0.0026 -0.0011
H -4.0837 -0.7447 1.0654 -0.0001 0.0027 -0.0009
17
Frequency 1174.94
H 4.4708 -1.8824 -0.0517 0.2419 0.4248 0.0168
C 3.5411 -1.3505 -0.0271 -0.1698 -0.2896 -0.0114
C 1.1487 0.0296 0.0365 0.0591 -0.0121 -0.0006
C 2.9445 -1.0495 1.1865 0.1306 0.2566 -0.0223
C 2.9375 -0.9512 -1.2086 0.1308 0.2539 0.0424
C 1.7433 -0.2508 -1.1895 -0.0624 -0.1062 -0.0017
C 1.7503 -0.3503 1.2319 -0.0623 -0.1061 -0.0067
H 3.4124 -1.3504 2.1034 -0.2226 -0.3733 -0.0213
H 3.4000 -1.1757 -2.1498 -0.2225 -0.3739 -0.0080
H 1.2928 0.0932 -2.0978 0.0896 0.1627 0.0205
H 1.3053 -0.0820 2.1680 0.0896 0.1638 -0.0076
Br -0.0025 1.9818 0.1200 -0.0032 0.0010 0.0000
Pd -0.8022 -0.4170 0.0240 -0.0035 0.0001 0.0000
P -3.2776 -1.1518 0.0012 -0.0046 -0.0012 -0.0000
H -3.7173 -2.4766 -0.0497 0.0085 -0.0029 -0.0001
H -4.0886 -0.6630 -1.0244 0.0072 0.0043 -0.0038
H -4.0837 -0.7447 1.0654 0.0073 0.0040 0.0041
17
Frequency 1245.96
H 4.4708 -1.8824 -0.0517 0.0010 -0.0135 0.3278
C 3.5411 -1.3505 -0.0271 0.0013 -0.0183 0.4445
C 1.1487 0.0296 0.0365 0.0010 -0.0142 0.3456
C 2.9445 -1.0495 1.1865 0.2477 -0.1764 -0.2237
C 2.9375 -0.9512 -1.2086 -0.2490 0.1941 -0.2070
C 1.7433 -0.2508 -1.1895 0.1803 -0.1557 -0.1908
C 1.7503 -0.3503 1.2319 -0.1813 0.1708 -0.1764
H 3.4124 -1.3504 2.1034 0.1645 -0.0351 -0.1083
H 3.4000 -1.1757 -2.1498 -0.1651 0.0438 -0.1041
H 1.2928 0.0932 -2.0978 0.0927 0.0319 -0.0466
H 1.3053 -0.0820 2.1680 -0.0930 -0.0281 -0.0485
Br -0.0025 1.9818 0.1200 0.0000 -0.0001 0.0028
Pd -0.8022 -0.4170 0.0240 -0.0000 0.0001 -0.0019
P -3.2776 -1.1518 0.0012 0.0000 -0.0002 0.0051
H -3.7173 -2.4766 -0.0497 -0.0000 0.0009 -0.0231
H -4.0886 -0.6630 -1.0244 -0.0052 -0.0135 -0.0021
H -4.0837 -0.7447 1.0654 0.0051 0.0137 -0.0011
17
Frequency 1262.86
H 4.4708 -1.8824 -0.0517 0.0001 -0.0007 -0.0001
C 3.5411 -1.3505 -0.0271 0.0015 -0.0006 -0.0001
C 1.1487 0.0296 0.0365 0.0071 -0.0022 -0.0001
C 2.9445 -1.0495 1.1865 -0.0025 0.0012 -0.0022
C 2.9375 -0.9512 -1.2086 -0.0025 0.0009 0.0024
C 1.7433 -0.2508 -1.1895 0.0005 0.0003 0.0001
C 1.7503 -0.3503 1.2319 0.0005 0.0003 -0.0000
H 3.4124 -1.3504 2.1034 -0.0012 0.0011 -0.0002
H 3.4000 -1.1757 -2.1498 -0.0012 0.0011 0.0003
H 1.2928 0.0932 -2.0978 -0.0021 0.0006 0.0014
H 1.3053 -0.0820 2.1680 -0.0021 0.0007 -0.0013
Br -0.0025 1.9818 0.1200 -0.0007 -0.0000 -0.0000
Pd -0.8022 -0.4170 0.0240 0.0003 -0.0024 -0.0001
P -3.2776 -1.1518 0.0012 0.0243 -0.1330 -0.0051
H -3.7173 -2.4766 -0.0497 0.3633 -0.1308 -0.0067
H -4.0886 -0.6630 -1.0244 -0.2517 0.4298 0.4110
H -4.0837 -0.7447 1.0654 -0.2531 0.4614 -0.3750
17
Frequency 1266.86
H 4.4708 -1.8824 -0.0517 0.0000 -0.0007 0.0161
C 3.5411 -1.3505 -0.0271 0.0001 -0.0007 0.0159
C 1.1487 0.0296 0.0365 0.0000 -0.0004 0.0091
C 2.9445 -1.0495 1.1865 0.0080 -0.0043 -0.0078
C 2.9375 -0.9512 -1.2086 -0.0080 0.0050 -0.0074
C 1.7433 -0.2508 -1.1895 0.0040 -0.0022 -0.0047
C 1.7503 -0.3503 1.2319 -0.0040 0.0025 -0.0045
H 3.4124 -1.3504 2.1034 0.0053 -0.0030 -0.0045
H 3.4000 -1.1757 -2.1498 -0.0054 0.0034 -0.0042
H 1.2928 0.0932 -2.0978 -0.0003 -0.0004 -0.0006
H 1.3053 -0.0820 2.1680 0.0003 0.0005 -0.0006
Br -0.0025 1.9818 0.1200 -0.0000 -0.0000 0.0003
Pd -0.8022 -0.4170 0.0240 -0.0000 0.0001 -0.0037
P -3.2776 -1.1518 0.0012 -0.0003 0.0051 -0.1335
H -3.7173 -2.4766 -0.0497 0.0020 -0.0280 0.7129
H -4.0886 -0.6630 -1.0244 0.1952 0.4442 0.0446
H -4.0837 -0.7447 1.0654 -0.1955 -0.4454 0.0099
17
Frequency 1315.67
H 4.4708 -1.8824 -0.0517 -0.0033 0.0025 0.0001
C 3.5411 -1.3505 -0.0271 -0.0114 0.0101 0.0004
C 1.1487 0.0296 0.0365 -0.0263 0.0148 0.0007
C 2.9445 -1.0495 1.1865 0.1633 -0.0976 -0.1027
C 2.9375 -0.9512 -1.2086 0.1639 -0.1056 0.0934
C 1.7433 -0.2508 -1.1895 -0.1597 0.0936 0.0794
C 1.7503 -0.3503 1.2319 -0.1601 0.0997 -0.0705
H 3.4124 -1.3504 2.1034 0.3570 -0.1961 -0.2428
H 3.4000 -1.1757 -2.1498 0.3584 -0.2153 0.2238
H 1.2928 0.0932 -2.0978 -0.3300 0.1781 0.2183
H 1.3053 -0.0820 2.1680 -0.3312 0.1953 -0.2011
Br -0.0025 1.9818 0.1200 0.0020 -0.0027 -0.0001
Pd -0.8022 -0.4170 0.0240 0.0037 0.0006 0.0000
P -3.2776 -1.1518 0.0012 -0.0001 0.0003 0.0000
H -3.7173 -2.4766 -0.0497 0.0000 0.0001 0.0000
H -4.0886 -0.6630 -1.0244 -0.0003 -0.0003 0.0001
H -4.0837 -0.7447 1.0654 -0.0003 -0.0003 -0.0001
17
Frequency 1345.94
H 4.4708 -1.8824 -0.0517 0.0016 -0.0228 0.5550
C 3.5411 -1.3505 -0.0271 -0.0001 0.0018 -0.0447
C 1.1487 0.0296 0.0365 -0.0011 0.0151 -0.3668
C 2.9445 -1.0495 1.1865 -0.0733 0.0502 0.0579
C 2.9375 -0.9512 -1.2086 0.0736 -0.0547 0.0532
C 1.7433 -0.2508 -1.1895 -0.1555 0.0924 0.1510
C 1.7503 -0.3503 1.2319 0.1564 -0.1044 0.1420
H 3.4124 -1.3504 2.1034 0.3282 -0.1964 -0.2300
H 3.4000 -1.1757 -2.1498 -0.3294 0.2146 -0.2112
H 1.2928 0.0932 -2.0978 0.0801 -0.0578 -0.0497
H 1.3053 -0.0820 2.1680 -0.0804 0.0617 -0.0443
Br -0.0025 1.9818 0.1200 -0.0000 0.0000 -0.0001
Pd -0.8022 -0.4170 0.0240 0.0000 -0.0000 0.0010
P -3.2776 -1.1518 0.0012 -0.0000 0.0000 -0.0002
H -3.7173 -2.4766 -0.0497 -0.0000 0.0001 -0.0038
H -4.0886 -0.6630 -1.0244 -0.0020 -0.0030 0.0003
H -4.0837 -0.7447 1.0654 0.0020 0.0029 0.0005
17
Frequency 1464.87
H 4.4708 -1.8824 -0.0517 0.0004 -0.0061 0.1487
C 3.5411 -1.3505 -0.0271 -0.0005 0.0074 -0.1798
C 1.1487 0.0296 0.0365 0.0012 -0.0165 0.4016
C 2.9445 -1.0495 1.1865 -0.0657 0.0348 -0.0294
C 2.9375 -0.9512 -1.2086 0.0656 -0.0323 -0.0326
C 1.7433 -0.2508 -1.1895 -0.1885 0.1224 -0.0152
C 1.7503 -0.3503 1.2319 0.1884 -0.1207 -0.0263
H 3.4124 -1.3504 2.1034 -0.1331 0.0795 0.0680
H 3.4000 -1.1757 -2.1498 0.1334 -0.0847 0.0605
H 1.2928 0.0932 -2.0978 0.3898 -0.2217 -0.3255
H 1.3053 -0.0820 2.1680 -0.3916 0.2475 -0.3039
Br -0.0025 1.9818 0.1200 -0.0000 0.0002 -0.0047
Pd -0.8022 -0.4170 0.0240 -0.0000 0.0001 -0.0019
P -3.2776 -1.1518 0.0012 0.0000 -0.0000 0.0011
H -3.7173 -2.4766 -0.0497 -0.0000 -0.0000 0.0007
H -4.0886 -0.6630 -1.0244 0.0015 0.0010 -0.0005
H -4.0837 -0.7447 1.0654 -0.0015 -0.0009 -0.0006
17
Frequency 1599.91
H 4.4708 -1.8824 -0.0517 0.0014 -0.0201 0.4892
C 3.5411 -1.3505 -0.0271 -0.0007 0.0104 -0.2543
C 1.1487 0.0296 0.0365 -0.0009 0.0123 -0.2999
C 2.9445 -1.0495 1.1865 0.2849 -0.1627 -0.0656
C 2.9375 -0.9512 -1.2086 -0.2852 0.1675 -0.0504
C 1.7433 -0.2508 -1.1895 0.0756 -0.0611 0.1707
C 1.7503 -0.3503 1.2319 -0.0746 0.0469 0.1756
H 3.4124 -1.3504 2.1034 -0.2678 0.1469 0.2336
H 3.4000 -1.1757 -2.1498 0.2691 -0.1655 0.2192
H 1.2928 0.0932 -2.0978 0.0159 -0.0045 0.0690
H 1.3053 -0.0820 2.1680 -0.0155 -0.0012 0.0692
Br -0.0025 1.9818 0.1200 0.0000 -0.0001 0.0031
Pd -0.8022 -0.4170 0.0240 0.0000 -0.0001 0.0014
P -3.2776 -1.1518 0.0012 -0.0000 0.0000 -0.0008
H -3.7173 -2.4766 -0.0497 0.0000 0.0000 -0.0006
H -4.0886 -0.6630 -1.0244 -0.0010 -0.0008 0.0004
H -4.0837 -0.7447 1.0654 0.0010 0.0008 0.0005
17
Frequency 1629.50
H 4.4708 -1.8824 -0.0517 0.0469 -0.0273 -0.0013
C 3.5411 -1.3505 -0.0271 0.1263 -0.0724 -0.0033
C 1.1487 0.0296 0.0365 0.2179 -0.1092 -0.0051
C 2.9445 -1.0495 1.1865 -0.0800 0.0399 0.2111
C 2.9375 -0.9512 -1.2086 -0.0813 0.0570 -0.2067
C 1.7433 -0.2508 -1.1895 -0.2576 0.1356 0.2484
C 1.7503 -0.3503 1.2319 -0.2591 0.1555 -0.2349
H 3.4124 -1.3504 2.1034 0.2487 -0.1416 -0.1190
H 3.4000 -1.1757 -2.1498 0.2494 -0.1508 0.1056
H 1.2928 0.0932 -2.0978 0.3141 -0.1679 -0.1923
H 1.3053 -0.0820 2.1680 0.3152 -0.1831 0.1760
Br -0.0025 1.9818 0.1200 0.0023 -0.0015 -0.0001
Pd -0.8022 -0.4170 0.0240 -0.0036 -0.0028 -0.0001
P -3.2776 -1.1518 0.0012 -0.0017 -0.0002 -0.0000
H -3.7173 -2.4766 -0.0497 0.0026 -0.0018 -0.0001
H -4.0886 -0.6630 -1.0244 0.0007 0.0010 -0.0002
H -4.0837 -0.7447 1.0654 0.0007 0.0010 0.0003
17
Frequency 1725.20
H 4.4708 -1.8824 -0.0517 -0.0007 0.0124 -0.3050
C 3.5411 -1.3505 -0.0271 0.0020 -0.0229 0.5511
C 1.1487 0.0296 0.0365 -0.0013 0.0145 -0.3508
C 2.9445 -1.0495 1.1865 0.0457 -0.0148 -0.3043
C 2.9375 -0.9512 -1.2086 -0.0489 0.0406 -0.3023
C 1.7433 -0.2508 -1.1895 -0.1603 0.0739 0.2703
C 1.7503 -0.3503 1.2319 0.1629 -0.0965 0.2625
H 3.4124 -1.3504 2.1034 -0.0966 0.0533 -0.0263
H 3.4000 -1.1757 -2.1498 0.0971 -0.0514 -0.0306
H 1.2928 0.0932 -2.0978 0.1401 -0.0751 -0.0478
H 1.3053 -0.0820 2.1680 -0.1406 0.0789 -0.0411
Br -0.0025 1.9818 0.1200 -0.0000 -0.0001 0.0015
Pd -0.8022 -0.4170 0.0240 -0.0000 -0.0000 0.0005
P -3.2776 -1.1518 0.0012 0.0000 0.0000 -0.0007
H -3.7173 -2.4766 -0.0497 -0.0000 0.0000 -0.0004
H -4.0886 -0.6630 -1.0244 -0.0008 -0.0007 0.0004
H -4.0837 -0.7447 1.0654 0.0008 0.0006 0.0004
17
Frequency 1726.34
H 4.4708 -1.8824 -0.0517 -0.0781 0.0473 0.0016
C 3.5411 -1.3505 -0.0271 -0.2364 0.1354 0.0073
C 1.1487 0.0296 0.0365 0.1244 -0.0697 -0.0039
C 2.9445 -1.0495 1.1865 0.3992 -0.2268 -0.1692
C 2.9375 -0.9512 -1.2086 0.4000 -0.2397 0.1466
C 1.7433 -0.2508 -1.1895 -0.3021 0.1769 0.0517
C 1.7503 -0.3503 1.2319 -0.3018 0.1802 -0.0343
H 3.4124 -1.3504 2.1034 -0.1823 0.1018 0.1603
H 3.4000 -1.1757 -2.1498 -0.1829 0.1144 -0.1505
H 1.2928 0.0932 -2.0978 0.0656 -0.0353 -0.1008
H 1.3053 -0.0820 2.1680 0.0656 -0.0432 0.0971
Br -0.0025 1.9818 0.1200 0.0028 -0.0036 -0.0002
Pd -0.8022 -0.4170 0.0240 0.0006 -0.0003 -0.0000
P -3.2776 -1.1518 0.0012 -0.0025 0.0001 0.0000
H -3.7173 -2.4766 -0.0497 0.0041 -0.0025 -0.0001
H -4.0886 -0.6630 -1.0244 0.0015 0.0015 -0.0011
H -4.0837 -0.7447 1.0654 0.0015 0.0014 0.0012
17
Frequency 2634.16
H 4.4708 -1.8824 -0.0517 0.0000 -0.0001 -0.0000
C 3.5411 -1.3505 -0.0271 -0.0001 0.0001 0.0000
C 1.1487 0.0296 0.0365 0.0013 -0.0004 -0.0000
C 2.9445 -1.0495 1.1865 0.0001 -0.0000 -0.0002
C 2.9375 -0.9512 -1.2086 0.0001 -0.0001 0.0002
C 1.7433 -0.2508 -1.1895 -0.0004 0.0003 0.0003
C 1.7503 -0.3503 1.2319 -0.0004 0.0003 -0.0002
H 3.4124 -1.3504 2.1034 -0.0001 -0.0000 0.0001
H 3.4000 -1.1757 -2.1498 -0.0001 0.0000 -0.0001
H 1.2928 0.0932 -2.0978 0.0001 -0.0001 -0.0002
H 1.3053 -0.0820 2.1680 0.0001 -0.0001 0.0002
Br -0.0025 1.9818 0.1200 -0.0002 -0.0001 -0.0000
Pd -0.8022 -0.4170 0.0240 0.0001 -0.0001 -0.0000
P -3.2776 -1.1518 0.0012 0.0034 -0.1828 -0.0067
H -3.7173 -2.4766 -0.0497 0.2785 0.8725 0.0335
H -4.0886 -0.6630 -1.0244 -0.1506 0.0802 -0.1899
H -4.0837 -0.7447 1.0654 -0.1478 0.0641 0.1937
17
Frequency 2641.92
H 4.4708 -1.8824 -0.0517 0.0000 -0.0000 0.0000
C 3.5411 -1.3505 -0.0271 -0.0000 -0.0000 0.0001
C 1.1487 0.0296 0.0365 0.0000 -0.0000 0.0006
C 2.9445 -1.0495 1.1865 0.0001 -0.0001 0.0000
C 2.9375 -0.9512 -1.2086 -0.0001 0.0001 0.0000
C 1.7433 -0.2508 -1.1895 -0.0000 0.0000 -0.0001
C 1.7503 -0.3503 1.2319 -0.0000 0.0000 -0.0001
H 3.4124 -1.3504 2.1034 0.0000 -0.0000 -0.0000
H 3.4000 -1.1757 -2.1498 -0.0000 0.0000 -0.0001
H 1.2928 0.0932 -2.0978 -0.0002 -0.0001 -0.0000
H 1.3053 -0.0820 2.1680 0.0002 0.0001 0.0000
Br -0.0025 1.9818 0.1200 0.0000 -0.0000 0.0001
Pd -0.8022 -0.4170 0.0240 -0.0000 0.0000 -0.0005
P -3.2776 -1.1518 0.0012 -0.0009 0.0068 -0.1850
H -3.7173 -2.4766 -0.0497 0.0010 0.0037 -0.0091
H -4.0886 -0.6630 -1.0244 0.4040 -0.2494 0.5107
H -4.0837 -0.7447 1.0654 -0.3998 0.2076 0.5278
17
Frequency 2652.34
H 4.4708 -1.8824 -0.0517 -0.0001 -0.0001 -0.0000
C 3.5411 -1.3505 -0.0271 0.0002 -0.0001 -0.0000
C 1.1487 0.0296 0.0365 -0.0012 -0.0013 -0.0000
C 2.9445 -1.0495 1.1865 -0.0001 0.0002 0.0002
C 2.9375 -0.9512 -1.2086 -0.0001 0.0002 -0.0002
C 1.7433 -0.2508 -1.1895 0.0006 -0.0001 -0.0000
C 1.7503 -0.3503 1.2319 0.0006 -0.0001 0.0000
H 3.4124 -1.3504 2.1034 0.0000 -0.0001 -0.0003
H 3.4000 -1.1757 -2.1498 0.0000 -0.0001 0.0003
H 1.2928 0.0932 -2.0978 -0.0002 -0.0004 0.0003
H 1.3053 -0.0820 2.1680 -0.0002 -0.0004 -0.0004
Br -0.0025 1.9818 0.1200 -0.0002 0.0004 0.0000
Pd -0.8022 -0.4170 0.0240 0.0000 -0.0000 -0.0000
P -3.2776 -1.1518 0.0012 0.1458 -0.0147 -0.0016
H -3.7173 -2.4766 -0.0497 -0.0921 -0.3516 -0.0136
H -4.0886 -0.6630 -1.0244 -0.3570 0.2361 -0.4877
H -4.0837 -0.7447 1.0654 -0.3575 0.1987 0.5099
17
Frequency 3351.17
H 4.4708 -1.8824 -0.0517 0.4220 -0.2417 -0.0112
C 3.5411 -1.3505 -0.0271 -0.1217 0.0696 0.0032
C 1.1487 0.0296 0.0365 0.0007 -0.0005 -0.0000
C 2.9445 -1.0495 1.1865 0.0730 -0.0469 0.1403
C 2.9375 -0.9512 -1.2086 0.0722 -0.0353 -0.1441
C 1.7433 -0.2508 -1.1895 0.0179 -0.0143 0.0440
C 1.7503 -0.3503 1.2319 0.0176 -0.0106 -0.0451
H 3.4124 -1.3504 2.1034 -0.2445 0.1573 -0.4771
H 3.4000 -1.1757 -2.1498 -0.2418 0.1176 0.4899
H 1.2928 0.0932 -2.0978 -0.0721 0.0558 -0.1506
H 1.3053 -0.0820 2.1680 -0.0712 0.0433 0.1551
Br -0.0025 1.9818 0.1200 0.0001 -0.0001 -0.0000
Pd -0.8022 -0.4170 0.0240 0.0001 -0.0000 -0.0000
P -3.2776 -1.1518 0.0012 -0.0001 -0.0000 -0.0000
H -3.7173 -2.4766 -0.0497 0.0001 0.0001 0.0000
H -4.0886 -0.6630 -1.0244 0.0001 0.0000 0.0000
H -4.0837 -0.7447 1.0654 0.0001 0.0000 -0.0000
17
Frequency 3358.39
H 4.4708 -1.8824 -0.0517 -0.0001 0.0003 -0.0052
C 3.5411 -1.3505 -0.0271 0.0001 -0.0005 0.0113
C 1.1487 0.0296 0.0365 -0.0000 0.0000 -0.0008
C 2.9445 -1.0495 1.1865 -0.0817 0.0526 -0.1622
C 2.9375 -0.9512 -1.2086 0.0807 -0.0391 -0.1664
C 1.7433 -0.2508 -1.1895 0.0252 -0.0201 0.0620
C 1.7503 -0.3503 1.2319 -0.0248 0.0149 0.0636
H 3.4124 -1.3504 2.1034 0.2757 -0.1775 0.5410
H 3.4000 -1.1757 -2.1498 -0.2724 0.1324 0.5552
H 1.2928 0.0932 -2.0978 -0.1009 0.0777 -0.2097
H 1.3053 -0.0820 2.1680 0.0997 -0.0602 -0.2161
Br -0.0025 1.9818 0.1200 -0.0000 0.0000 -0.0001
Pd -0.8022 -0.4170 0.0240 0.0000 -0.0000 0.0001
P -3.2776 -1.1518 0.0012 -0.0000 0.0000 -0.0000
H -3.7173 -2.4766 -0.0497 0.0000 -0.0000 0.0000
H -4.0886 -0.6630 -1.0244 0.0000 -0.0000 0.0000
H -4.0837 -0.7447 1.0654 -0.0000 0.0000 0.0000
17
Frequency 3377.10
H 4.4708 -1.8824 -0.0517 0.5882 -0.3364 -0.0155
C 3.5411 -1.3505 -0.0271 -0.1788 0.1026 0.0047
C 1.1487 0.0296 0.0365 -0.0050 0.0025 0.0001
C 2.9445 -1.0495 1.1865 -0.0119 0.0084 -0.0462
C 2.9375 -0.9512 -1.2086 -0.0117 0.0046 0.0468
C 1.7433 -0.2508 -1.1895 -0.0544 0.0419 -0.1164
C 1.7503 -0.3503 1.2319 -0.0538 0.0323 0.1198
H 3.4124 -1.3504 2.1034 0.0626 -0.0408 0.1323
H 3.4000 -1.1757 -2.1498 0.0619 -0.0298 -0.1357
H 1.2928 0.0932 -2.0978 0.1885 -0.1458 0.3864
H 1.3053 -0.0820 2.1680 0.1864 -0.1137 -0.3985
Br -0.0025 1.9818 0.1200 -0.0001 0.0001 0.0000
Pd -0.8022 -0.4170 0.0240 0.0003 0.0001 0.0000
P -3.2776 -1.1518 0.0012 -0.0000 0.0001 0.0000
H -3.7173 -2.4766 -0.0497 0.0001 -0.0000 -0.0000
H -4.0886 -0.6630 -1.0244 0.0000 -0.0000 0.0000
H -4.0837 -0.7447 1.0654 0.0000 -0.0000 -0.0000
17
Frequency 3383.98
H 4.4708 -1.8824 -0.0517 0.0003 -0.0000 -0.0032
C 3.5411 -1.3505 -0.0271 -0.0001 -0.0003 0.0080
C 1.1487 0.0296 0.0365 0.0000 -0.0004 0.0089
C 2.9445 -1.0495 1.1865 -0.0381 0.0243 -0.0628
C 2.9375 -0.9512 -1.2086 0.0377 -0.0190 -0.0647
C 1.7433 -0.2508 -1.1895 -0.0825 0.0625 -0.1600
C 1.7503 -0.3503 1.2319 0.0816 -0.0491 -0.1651
H 3.4124 -1.3504 2.1034 0.1082 -0.0690 0.2066
H 3.4000 -1.1757 -2.1498 -0.1068 0.0517 0.2119
H 1.2928 0.0932 -2.0978 0.2654 -0.2039 0.5362
H 1.3053 -0.0820 2.1680 -0.2622 0.1592 0.5527
Br -0.0025 1.9818 0.1200 0.0000 -0.0000 0.0003
Pd -0.8022 -0.4170 0.0240 -0.0000 0.0000 -0.0002
P -3.2776 -1.1518 0.0012 0.0000 -0.0000 0.0001
H -3.7173 -2.4766 -0.0497 -0.0000 0.0000 -0.0000
H -4.0886 -0.6630 -1.0244 0.0001 0.0000 -0.0000
H -4.0837 -0.7447 1.0654 -0.0001 -0.0000 -0.0000
17
Frequency 3389.69
H 4.4708 -1.8824 -0.0517 0.4084 -0.2340 -0.0108
C 3.5411 -1.3505 -0.0271 -0.1284 0.0735 0.0034
C 1.1487 0.0296 0.0365 0.0078 -0.0038 -0.0002
C 2.9445 -1.0495 1.1865 -0.0488 0.0315 -0.0971
C 2.9375 -0.9512 -1.2086 -0.0483 0.0234 0.0996
C 1.7433 -0.2508 -1.1895 0.0635 -0.0476 0.1210
C 1.7503 -0.3503 1.2319 0.0627 -0.0375 -0.1248
H 3.4124 -1.3504 2.1034 0.1527 -0.0981 0.3008
H 3.4000 -1.1757 -2.1498 0.1510 -0.0731 -0.3088
H 1.2928 0.0932 -2.0978 -0.1980 0.1529 -0.3995
H 1.3053 -0.0820 2.1680 -0.1954 0.1195 0.4115
Br -0.0025 1.9818 0.1200 0.0002 -0.0001 -0.0000
Pd -0.8022 -0.4170 0.0240 -0.0004 -0.0002 -0.0000
P -3.2776 -1.1518 0.0012 0.0002 -0.0000 -0.0000
H -3.7173 -2.4766 -0.0497 -0.0005 -0.0002 -0.0000
H -4.0886 -0.6630 -1.0244 -0.0003 -0.0000 -0.0001
H -4.0837 -0.7447 1.0654 -0.0003 -0.0000 0.0001
