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1_sew.in
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&SEWARD &END
Title
Al2O3_Ti
Basis set
O.ECP.Barandiaran.5s6p1d.2s4p1d.6e-CG-AIMP.
O1 1.4019 0.5217 -1.7133 Angstrom
O2 2.5191 -3.4789 0.7622 Angstrom
O3 1.2633 0.4808 3.1472 Angstrom
O4 -1.3552 0.9784 -0.5081 Angstrom
O5 -1.1957 0.9207 4.0550 Angstrom
O6 0.0343 -3.0295 1.7304 Angstrom
O7 0.4724 2.9565 3.1510 Angstrom
O8 0.5121 3.0129 -1.6360 Angstrom
O9 1.8459 -1.0673 0.7869 Angstrom
O10 -1.7374 2.5361 1.6606 Angstrom
O11 -1.7361 2.5409 -3.1321 Angstrom
O12 -0.5803 -1.5052 -0.8406 Angstrom
O13 2.1411 -2.2494 -1.4925 Angstrom
O14 0.8676 1.7173 -3.8935 Angstrom
O15 0.9436 1.8200 0.9712 Angstrom
O16 0.4388 -4.2169 -0.9364 Angstrom
O17 -0.9032 -0.4562 1.5328 Angstrom
O18 -0.8262 -0.3830 -3.4036 Angstrom
End of basis
********************************************
Basis set
Ti.ECP.Barandiaran.9s6p6d3f.3s3p4d1f.10e-CG-AIMP.
Ti1 -0.3773 1.2041 2.1510 Angstrom
Ti2 -0.4062 1.2066 -2.1615 Angstrom
Ti3 0.7835 -2.4107 0.0105 Angstrom
End of basis
********************************************
Basis set
Al.ECP.Pascual.0s.0s.0e-AIMP-Al2O3.
A1 -2.0459 -0.6442 0.0199 Angstrom
A2 2.5092 -0.6510 -2.3907 Angstrom
A3 -0.8251 -4.6464 2.4061 Angstrom
A4 3.7351 -4.6212 0.0058 Angstrom
A5 -0.8335 -4.6235 -2.3893 Angstrom
A6 1.2262 3.2715 -4.7640 Angstrom
A7 1.2233 3.2783 4.7916 Angstrom
A8 -3.3490 3.2974 2.4186 Angstrom
A9 1.2641 3.3085 -0.0025 Angstrom
A10 -3.3379 3.2865 -2.3987 Angstrom
A11 -2.0786 -0.6733 -4.7896 Angstrom
A12 -2.0901 -0.6733 4.7972 Angstrom
A13 2.5208 -0.6646 2.4050 Angstrom
A14 3.3573 -1.8344 -4.7704 Angstrom
A15 3.3584 -1.8395 4.7860 Angstrom
A16 0.0603 -5.7706 0.0064 Angstrom
A17 0.8527 6.0561 0.0116 Angstrom
A18 2.1500 2.1578 2.3867 Angstrom
A19 -2.5574 2.1540 0.0151 Angstrom
A20 6.6564 2.1092 0.0108 Angstrom
A21 2.1339 2.0741 -2.3803 Angstrom
A22 -2.4418 2.1089 -4.7605 Angstrom
A23 -2.4384 2.1050 4.7746 Angstrom
A24 -1.2739 -1.9190 2.4717 Angstrom
A25 -5.7580 -1.8378 0.0076 Angstrom
A26 3.4209 -1.8238 0.0347 Angstrom
A27 -1.2609 -1.8856 -2.4619 Angstrom
A28 1.7016 -3.8197 -2.3909 Angstrom
A29 -2.8600 -3.8216 -4.7794 Angstrom
A30 -2.8606 -3.8192 4.7963 Angstrom
A31 1.7257 -3.8162 2.3984 Angstrom
A32 -2.8576 -3.8088 -0.0024 Angstrom
A33 -0.8010 4.0667 -2.3803 Angstrom
A34 -0.7862 4.0943 2.4085 Angstrom
A35 -5.3643 4.0860 0.0069 Angstrom
A36 3.7832 4.0898 0.0149 Angstrom
A37 -4.1043 0.1443 -2.3775 Angstrom
A38 5.0289 0.1466 -2.3873 Angstrom
A39 0.4583 0.1402 -4.7539 Angstrom
A40 0.4413 0.1340 4.7812 Angstrom
A41 -4.1176 0.1238 2.4115 Angstrom
A42 5.0353 0.1404 2.3960 Angstrom
A43 -3.7711 -2.6566 2.3867 Angstrom
A44 5.3983 -2.6497 2.4073 Angstrom
A45 -1.6774 5.2491 0.0109 Angstrom
A46 2.8756 5.2365 -2.3765 Angstrom
A47 2.8866 5.2677 2.4040 Angstrom
A48 -5.0150 1.2819 0.0221 Angstrom
A49 4.1131 1.2997 0.0029 Angstrom
A50 4.1425 1.3064 -4.7825 Angstrom
A51 4.1305 1.3025 4.7853 Angstrom
A52 -3.7619 -2.6420 -2.3831 Angstrom
A53 5.3827 -2.6378 -2.3834 Angstrom
A54 0.8244 -2.6339 -4.7786 Angstrom
A55 0.8280 -2.6468 4.7860 Angstrom
A56 -2.0764 -0.6691 -9.5377 Angstrom
A57 0.4555 0.1353 -9.5377 Angstrom
A58 -5.3754 -4.6088 -4.7641 Angstrom
A59 -5.3765 -4.6087 4.7831 Angstrom
A60 -4.5804 7.2107 -4.7641 Angstrom
A61 -4.5809 7.2109 4.7830 Angstrom
A62 3.7261 -4.6089 -4.7641 Angstrom
A63 3.7255 -4.6087 4.7831 Angstrom
A64 4.5217 7.2107 -4.7641 Angstrom
A65 4.5211 7.2109 4.7830 Angstrom
A66 -6.6280 -0.6694 -2.3774 Angstrom
A67 -6.6286 -0.6693 7.1698 Angstrom
A68 2.4734 -0.6693 7.1698 Angstrom
A69 -0.8249 -4.6094 -7.1510 Angstrom
A70 -0.0299 7.2104 2.3962 Angstrom
A71 8.2766 -4.6092 2.3962 Angstrom
A72 -5.3762 -4.6088 0.0095 Angstrom
A73 -4.5806 7.2108 0.0095 Angstrom
A74 4.5214 7.2108 0.0095 Angstrom
A75 -0.8258 -4.6091 7.1698 Angstrom
A76 -0.0296 7.2103 -2.3774 Angstrom
A77 8.2769 -4.6093 -2.3774 Angstrom
A78 -7.8795 3.2709 -4.7641 Angstrom
A79 -7.8801 3.2710 4.7830 Angstrom
A80 0.4269 -8.5487 -4.7641 Angstrom
A81 0.4264 -8.5486 4.7830 Angstrom
A82 -4.1247 -8.5491 2.3962 Angstrom
A83 -3.3285 3.2703 -7.1509 Angstrom
A84 5.7735 3.2703 -7.1509 Angstrom
A85 5.7729 3.2705 2.3962 Angstrom
A86 -7.8798 3.2709 0.0095 Angstrom
A87 0.4266 -8.5486 0.0095 Angstrom
A88 -4.1244 -8.5492 -2.3774 Angstrom
A89 -3.3294 3.2706 7.1698 Angstrom
A90 5.7732 3.2704 -2.3774 Angstrom
A91 5.7726 3.2706 7.1698 Angstrom
A92 7.0253 -0.6690 -4.7641 Angstrom
A93 7.0247 -0.6688 4.7830 Angstrom
A94 -6.6277 -0.6695 -7.1509 Angstrom
A95 -6.6283 -0.6694 2.3962 Angstrom
A96 2.4743 -0.6695 -7.1509 Angstrom
A97 -2.0776 -0.6687 9.5566 Angstrom
A98 7.0250 -0.6689 0.0095 Angstrom
A99 -5.7454 -1.8347 -4.7640 Angstrom
A100 -5.7460 -1.8344 4.7831 Angstrom
A101 -4.4941 -5.7748 2.3962 Angstrom
A102 -3.6986 6.0447 2.3962 Angstrom
A103 4.6079 -5.7748 2.3962 Angstrom
A104 5.4035 6.0447 2.3962 Angstrom
A105 -4.4938 -5.7750 -2.3773 Angstrom
A106 -3.6983 6.0447 -2.3773 Angstrom
A107 4.6082 -5.7749 -2.3773 Angstrom
A108 5.4037 6.0447 -2.3773 Angstrom
A109 0.0575 -5.7745 -4.7641 Angstrom
A110 0.0569 -5.7743 4.7831 Angstrom
A111 0.8530 6.0451 -4.7641 Angstrom
A112 0.8524 6.0453 4.7831 Angstrom
A113 -6.9978 2.1049 2.3962 Angstrom
A114 2.1048 2.1047 -7.1509 Angstrom
A115 -6.9975 2.1048 -2.3773 Angstrom
A116 2.1040 2.1050 7.1698 Angstrom
A117 6.6559 2.1053 -4.7641 Angstrom
A118 6.6553 2.1054 4.7831 Angstrom
A119 -1.1943 -1.8351 -7.1509 Angstrom
A120 7.9071 -1.8350 2.3962 Angstrom
A121 -1.1952 -1.8349 7.1698 Angstrom
A122 7.9074 -1.8350 -2.3773 Angstrom
A123 -8.6471 0.1354 0.0094 Angstrom
A124 0.4544 0.1356 9.5565 Angstrom
A125 -7.3951 -3.8050 -2.3774 Angstrom
A126 1.7062 -3.8048 7.1698 Angstrom
A127 2.5023 8.0146 -2.3773 Angstrom
A128 -2.0484 8.0150 -4.7642 Angstrom
A129 -2.0490 8.0152 4.7830 Angstrom
A130 6.2581 -3.8045 -4.7642 Angstrom
A131 6.2575 -3.8044 4.7830 Angstrom
A132 -7.3955 -3.8049 2.3963 Angstrom
A133 1.7071 -3.8050 -7.1509 Angstrom
A134 2.5020 8.0147 2.3963 Angstrom
A135 -2.0487 8.0151 0.0094 Angstrom
A136 6.2578 -3.8044 0.0094 Angstrom
A137 -1.5924 -7.7448 -2.3773 Angstrom
A138 -0.7975 4.0749 7.1698 Angstrom
A139 8.3052 4.0747 -2.3773 Angstrom
A140 -5.3476 4.0752 -4.7642 Angstrom
A141 -5.3482 4.0754 4.7830 Angstrom
A142 2.9589 -7.7444 -4.7642 Angstrom
A143 2.9583 -7.7442 4.7830 Angstrom
A144 3.7544 4.0752 -4.7642 Angstrom
A145 3.7538 4.0754 4.7830 Angstrom
A146 -1.5927 -7.7447 2.3963 Angstrom
A147 -0.7966 4.0747 -7.1509 Angstrom
A148 8.3049 4.0748 2.3963 Angstrom
A149 -6.1435 -7.7443 0.0094 Angstrom
A150 2.9586 -7.7443 0.0094 Angstrom
A151 -4.0966 0.1351 7.1698 Angstrom
A152 5.0054 0.1351 7.1698 Angstrom
A153 -8.6468 0.1353 -4.7642 Angstrom
A154 -8.6474 0.1355 4.7830 Angstrom
A155 -4.0958 0.1348 -7.1509 Angstrom
A156 5.0063 0.1348 -7.1509 Angstrom
A157 -3.7263 -2.6395 -7.1509 Angstrom
A158 5.3757 -2.6395 -7.1508 Angstrom
A159 -2.4748 -6.5787 0.0095 Angstrom
A160 6.6273 -6.5787 0.0094 Angstrom
A161 7.4228 5.2409 0.0094 Angstrom
A162 -6.2302 5.2403 -2.3773 Angstrom
A163 2.0763 -6.5792 -2.3773 Angstrom
A164 2.8712 5.2405 7.1699 Angstrom
A165 -2.4744 -6.5788 -4.7641 Angstrom
A166 -2.4751 -6.5786 4.7830 Angstrom
A167 -1.6789 5.2408 -4.7641 Angstrom
A168 -1.6795 5.2409 4.7830 Angstrom
A169 -6.2305 5.2404 2.3963 Angstrom
A170 2.0760 -6.5792 2.3963 Angstrom
A171 2.8721 5.2402 -7.1508 Angstrom
A172 -0.4280 1.3006 7.1699 Angstrom
A173 8.6746 1.3005 -2.3773 Angstrom
A174 -4.9781 1.3009 -4.7641 Angstrom
A175 -4.9787 1.3011 4.7830 Angstrom
A176 -0.4271 1.3004 -7.1508 Angstrom
A177 8.6743 1.3006 2.3963 Angstrom
A178 -8.2776 -2.6389 0.0094 Angstrom
A179 1.6200 9.1807 0.0094 Angstrom
A180 -3.7272 -2.6392 7.1699 Angstrom
A181 5.3749 -2.6392 7.1699 Angstrom
A182 9.5570 0.1354 0.0094 Angstrom
End of basis
********************************************
Basis set
O.ECP.Pascual.0s.0s.0e-AIMP-Al2O3.
B1 2.4731 -3.4562 -4.0437 Angstrom
B2 2.4764 -3.4500 5.5196 Angstrom
B3 -2.0988 -3.4888 3.1402 Angstrom
B4 -2.1212 -3.4842 -1.6827 Angstrom
B5 -0.0303 4.4516 -4.0412 Angstrom
B6 -0.0248 4.4626 0.7488 Angstrom
B7 -4.5939 4.4498 -1.6498 Angstrom
B8 4.5409 4.4561 -1.6491 Angstrom
B9 -3.3376 0.4998 -4.0409 Angstrom
B10 -3.3346 0.5005 5.5187 Angstrom
B11 1.2222 0.4958 -6.4316 Angstrom
B12 -3.4027 0.4857 0.7702 Angstrom
B13 5.7949 0.5050 0.7436 Angstrom
B14 -4.5121 -3.0208 4.0573 Angstrom
B15 4.6161 -3.0089 4.0608 Angstrom
B16 -2.4506 4.9057 1.6760 Angstrom
B17 2.1323 4.9209 -0.7063 Angstrom
B18 -2.4574 4.9173 -3.1109 Angstrom
B19 2.1185 4.8973 4.0635 Angstrom
B20 -5.7774 0.9371 1.6802 Angstrom
B21 3.3948 0.9519 1.6858 Angstrom
B22 -5.7565 0.9369 -3.1150 Angstrom
B23 3.4374 0.9519 -3.1380 Angstrom
B24 -1.2027 0.9386 -5.5104 Angstrom
B25 -4.5178 -3.0161 -0.7242 Angstrom
B26 4.6291 -3.0104 -0.7198 Angstrom
B27 0.0482 -3.0349 -3.1329 Angstrom
B28 1.7266 -1.0468 -4.0612 Angstrom
B29 1.7032 -1.0340 5.5142 Angstrom
B30 2.9658 -4.9850 3.1335 Angstrom
B31 -1.5934 -4.9757 0.7379 Angstrom
B32 -0.7957 6.8671 0.7431 Angstrom
B33 2.9620 -4.9801 -1.6528 Angstrom
B34 -1.5996 -4.9858 -4.0468 Angstrom
B35 -4.1336 2.9275 0.7636 Angstrom
B36 5.0311 2.9196 0.7461 Angstrom
B37 -4.1209 2.9174 -4.0475 Angstrom
B38 -2.8955 -1.0720 3.1694 Angstrom
B39 -2.8847 -1.0369 -1.6629 Angstrom
B40 6.2793 -1.0344 -1.6577 Angstrom
B41 -5.0033 -1.4769 -3.1170 Angstrom
B42 4.1430 -1.4782 -3.1235 Angstrom
B43 0.8232 -5.4239 1.6704 Angstrom
B44 1.6238 6.4266 1.6724 Angstrom
B45 -3.7377 -5.4257 -0.7185 Angstrom
B46 0.8232 -5.4325 -3.1148 Angstrom
B47 2.8941 2.4779 -5.5146 Angstrom
B48 2.8839 2.4777 4.0593 Angstrom
B49 -6.2501 2.4709 -0.7117 Angstrom
B50 2.9215 2.5142 -0.7221 Angstrom
B51 -0.4215 -1.4929 -5.5435 Angstrom
B52 -0.4450 -1.4985 4.0805 Angstrom
B53 -5.0154 -1.4854 1.6765 Angstrom
B54 4.1854 -1.4722 1.6887 Angstrom
B55 -0.4125 5.6605 3.3324 Angstrom
B56 -1.2096 -6.1861 -1.4525 Angstrom
B57 -0.4207 5.6565 -1.4491 Angstrom
B58 0.8372 1.7024 5.7095 Angstrom
B59 -3.7170 1.7064 3.3286 Angstrom
B60 5.4047 1.7077 3.3323 Angstrom
B61 -3.7747 1.7291 -1.4518 Angstrom
B62 5.4150 1.7114 -1.4508 Angstrom
B63 -2.5036 -2.2596 -3.8720 Angstrom
B64 -2.4704 -2.2475 5.7174 Angstrom
B65 2.1019 -2.2483 -6.2419 Angstrom
B66 2.1014 -2.2464 3.3323 Angstrom
B67 -2.5057 -2.2679 0.9433 Angstrom
B68 -5.3775 -0.2640 3.8661 Angstrom
B69 3.7509 -0.2688 -5.7048 Angstrom
B70 3.7575 -0.2709 3.8693 Angstrom
B71 -4.1312 -4.2272 1.4705 Angstrom
B72 5.0133 -4.2178 1.4751 Angstrom
B73 -4.1339 -4.2177 -3.3139 Angstrom
B74 0.4451 -4.2248 3.8681 Angstrom
B75 2.5401 3.7238 1.4800 Angstrom
B76 -2.0924 3.6985 -0.9125 Angstrom
B77 2.5115 3.6737 -3.3108 Angstrom
B78 -2.0699 3.6862 3.8657 Angstrom
B79 -5.3905 -0.2721 -0.9204 Angstrom
B80 3.8144 -0.2824 -0.9180 Angstrom
B81 -0.8167 -0.2692 6.2514 Angstrom
B82 -9.5306 -1.4726 -0.7203 Angstrom
B83 2.4734 -3.4427 -8.8079 Angstrom
B84 -0.0303 4.4370 -8.8079 Angstrom
B85 -3.3294 0.4972 -8.8079 Angstrom
B86 1.7080 -1.0314 -8.8080 Angstrom
B87 0.8384 1.7030 -8.6117 Angstrom
B88 -2.4608 -2.2369 -8.6117 Angstrom
B89 -7.8805 0.4972 -1.6476 Angstrom
B90 1.2209 0.4973 7.8995 Angstrom
B91 -6.6286 -3.4427 -4.0345 Angstrom
B92 -6.6295 -3.4424 5.5128 Angstrom
B93 3.2686 8.3770 -4.0344 Angstrom
B94 -2.0773 -3.4427 -6.4213 Angstrom
B95 -1.2825 8.3770 3.1259 Angstrom
B96 7.0240 -3.4426 3.1259 Angstrom
B97 -6.6292 -3.4425 0.7392 Angstrom
B98 3.2684 8.3771 0.7392 Angstrom
B99 -2.0783 -3.4425 7.8995 Angstrom
B100 -1.2822 8.3769 -1.6476 Angstrom
B101 7.0243 -3.4427 -1.6476 Angstrom
B102 -0.8261 -7.3825 -4.0344 Angstrom
B103 -0.8267 -7.3823 5.5128 Angstrom
B104 -0.0311 4.4373 5.5128 Angstrom
B105 -5.3772 -7.3824 3.1259 Angstrom
B106 -4.5811 4.4370 -6.4212 Angstrom
B107 -4.5816 4.4371 3.1259 Angstrom
B108 3.7248 -7.3825 3.1260 Angstrom
B109 4.5210 4.4370 -6.4212 Angstrom
B110 4.5204 4.4371 3.1259 Angstrom
B111 -0.8264 -7.3824 0.7392 Angstrom
B112 -5.3769 -7.3826 -1.6476 Angstrom
B113 3.7251 -7.3825 -1.6476 Angstrom
B114 5.7723 0.4973 -4.0344 Angstrom
B115 5.7717 0.4974 5.5128 Angstrom
B116 -7.8808 0.4973 3.1259 Angstrom
B117 -4.4926 -3.0012 -5.4938 Angstrom
B118 4.6092 -3.0012 -5.4938 Angstrom
B119 -3.2411 -6.9411 1.6665 Angstrom
B120 -2.4450 4.8783 -7.8806 Angstrom
B121 5.8609 -6.9411 1.6665 Angstrom
B122 6.6565 4.8785 1.6665 Angstrom
B123 -6.9968 4.8786 -0.7202 Angstrom
B124 1.3097 -6.9410 -0.7202 Angstrom
B125 -3.2408 -6.9412 -3.1070 Angstrom
B126 -2.4458 4.8786 6.4401 Angstrom
B127 5.8612 -6.9412 -3.1071 Angstrom
B128 6.6568 4.8784 -3.1071 Angstrom
B129 -6.9971 4.8786 4.0533 Angstrom
B130 1.3100 -6.9411 -5.4938 Angstrom
B131 1.3094 -6.9409 4.0533 Angstrom
B132 2.1056 4.8785 -5.4938 Angstrom
B133 -5.7441 0.9385 -7.8806 Angstrom
B134 3.3579 0.9385 -7.8806 Angstrom
B135 -1.1945 0.9389 8.8269 Angstrom
B136 7.9081 0.9387 -0.7202 Angstrom
B137 -5.7450 0.9387 6.4401 Angstrom
B138 3.3570 0.9387 6.4401 Angstrom
B139 7.9084 0.9386 -5.4938 Angstrom
B140 7.9078 0.9388 4.0533 Angstrom
B141 -9.0439 -3.0012 1.6665 Angstrom
B142 0.0587 -3.0014 -7.8806 Angstrom
B143 0.8536 8.8183 1.6665 Angstrom
B144 -3.6976 8.8184 -0.7202 Angstrom
B145 0.0578 -3.0011 6.4401 Angstrom
B146 0.8539 8.8183 -3.1071 Angstrom
B147 -7.3943 -1.0313 -4.0344 Angstrom
B148 -7.3949 -1.0311 5.5127 Angstrom
B149 -6.1426 -4.9711 3.1260 Angstrom
B150 -5.3470 6.8484 3.1260 Angstrom
B151 2.9600 -4.9713 -6.4212 Angstrom
B152 3.7550 6.8484 3.1260 Angstrom
B153 7.5102 -4.9711 0.7392 Angstrom
B154 -6.1423 -4.9712 -1.6476 Angstrom
B155 -5.3467 6.8483 -1.6476 Angstrom
B156 2.9591 -4.9711 7.8995 Angstrom
B157 3.7553 6.8483 -1.6476 Angstrom
B158 -1.5921 -4.9710 5.5127 Angstrom
B159 -0.7959 6.8484 -4.0344 Angstrom
B160 -0.7965 6.8486 5.5127 Angstrom
B161 7.5105 -4.9711 -4.0344 Angstrom
B162 -8.6462 2.9086 3.1260 Angstrom
B163 -0.3398 -8.9110 3.1260 Angstrom
B164 0.4564 2.9084 -6.4212 Angstrom
B165 4.2111 -8.9109 0.7391 Angstrom
B166 -8.6459 2.9085 -1.6476 Angstrom
B167 -0.3395 -8.9111 -1.6476 Angstrom
B168 0.4555 2.9087 7.8995 Angstrom
B169 -4.0957 2.9087 5.5127 Angstrom
B170 5.0069 2.9086 -4.0344 Angstrom
B171 5.0063 2.9087 5.5127 Angstrom
B172 -2.8428 -1.0314 -6.4212 Angstrom
B173 6.2592 -1.0314 -6.4212 Angstrom
B174 6.2586 -1.0313 3.1260 Angstrom
B175 -7.3946 -1.0312 0.7391 Angstrom
B176 -2.8437 -1.0312 7.8995 Angstrom
B177 -4.9796 -1.4726 6.4401 Angstrom
B178 4.1224 -1.4726 6.4401 Angstrom
B179 -3.7272 -5.4126 -5.4939 Angstrom
B180 -3.7280 -5.4124 4.0533 Angstrom
B181 -2.9319 6.4070 -5.4938 Angstrom
B182 -2.9325 6.4072 4.0533 Angstrom
B183 5.3746 -5.4125 -5.4938 Angstrom
B184 5.3740 -5.4124 4.0533 Angstrom
B185 6.1696 6.4072 4.0533 Angstrom
B186 0.8241 -5.4127 -7.8806 Angstrom
B187 -2.9322 6.4071 -0.7203 Angstrom
B188 5.3743 -5.4125 -0.7203 Angstrom
B189 6.1698 6.4071 -0.7203 Angstrom
B190 0.8232 -5.4125 6.4401 Angstrom
B191 1.6193 6.4069 -3.1070 Angstrom
B192 1.6187 6.4071 6.4401 Angstrom
B193 -6.2311 2.4672 -5.4938 Angstrom
B194 -6.2317 2.4673 4.0533 Angstrom
B195 -2.4757 -9.3524 1.6666 Angstrom
B196 -1.6796 2.4670 -7.8806 Angstrom
B197 7.4219 2.4672 1.6666 Angstrom
B198 2.0751 -9.3523 -0.7203 Angstrom
B199 2.8701 2.4674 8.8269 Angstrom
B200 -1.6804 2.4673 6.4401 Angstrom
B201 7.4222 2.4671 -3.1070 Angstrom
B202 8.6732 -1.4725 4.0533 Angstrom
B203 -4.9788 -1.4728 -7.8806 Angstrom
B204 4.1233 -1.4728 -7.8806 Angstrom
B205 -0.4291 -1.4724 8.8269 Angstrom
B206 8.6735 -1.4726 -0.7203 Angstrom
B207 -7.0110 -2.2371 -1.4514 Angstrom
B208 2.0904 -2.2369 8.0958 Angstrom
B209 -5.7601 -6.1766 -3.8382 Angstrom
B210 -4.9647 5.6429 -3.8382 Angstrom
B211 -4.9653 5.6431 5.7090 Angstrom
B212 3.3418 -6.1767 -3.8382 Angstrom
B213 3.3412 -6.1765 5.7090 Angstrom
B214 4.1373 5.6429 -3.8382 Angstrom
B215 4.1367 5.6431 5.7090 Angstrom
B216 -1.2079 -6.1771 -6.2249 Angstrom
B217 -1.2084 -6.1769 3.3222 Angstrom
B218 -0.4123 5.6425 -6.2249 Angstrom
B219 -5.7606 -6.1766 0.9354 Angstrom
B220 -4.9650 5.6430 0.9354 Angstrom
B221 3.3415 -6.1766 0.9354 Angstrom
B222 4.1370 5.6430 0.9354 Angstrom
B223 -0.4132 5.6428 8.0958 Angstrom
B224 -8.2639 1.7030 -3.8382 Angstrom
B225 -3.7115 1.7027 -6.2249 Angstrom
B226 5.3905 1.7027 -6.2249 Angstrom
B227 -8.2642 1.7031 0.9354 Angstrom
B228 -3.7124 1.7029 8.0958 Angstrom
B229 5.3896 1.7029 8.0958 Angstrom
B230 6.6409 -2.2368 -3.8381 Angstrom
B231 6.6404 -2.2366 5.7090 Angstrom
B232 -7.0107 -2.2372 -6.2249 Angstrom
B233 -7.0113 -2.2370 3.3222 Angstrom
B234 -1.6658 9.5828 0.9354 Angstrom
B235 6.6407 -2.2367 0.9354 Angstrom
B236 -5.3624 -0.2670 -5.6900 Angstrom
B237 -3.3142 7.6126 1.4703 Angstrom
B238 5.7878 7.6126 1.4703 Angstrom
B239 -8.6618 -4.2067 -0.9165 Angstrom
B240 0.4396 -4.2065 8.6306 Angstrom
B241 1.2357 7.6129 -0.9165 Angstrom
B242 -4.1100 -4.2069 6.2438 Angstrom
B243 -3.3139 7.6125 -3.3033 Angstrom
B244 4.9926 -4.2071 -3.3033 Angstrom
B245 4.9920 -4.2069 6.2439 Angstrom
B246 0.4405 -4.2068 -5.6901 Angstrom
B247 1.2360 7.6128 -5.6901 Angstrom
B248 1.2354 7.6129 3.8571 Angstrom
B249 -6.6134 3.6727 1.4703 Angstrom
B250 1.6931 -8.1469 1.4703 Angstrom
B251 2.4892 3.6725 -8.0768 Angstrom
B252 -2.8590 -8.1466 -0.9165 Angstrom
B253 -2.0640 3.6732 8.6306 Angstrom
B254 7.0386 3.6730 -0.9165 Angstrom
B255 -6.6131 3.6726 -3.3033 Angstrom
B256 -6.6137 3.6728 6.2439 Angstrom
B257 1.6934 -8.1469 -3.3033 Angstrom
B258 2.4883 3.6728 6.2439 Angstrom
B259 -2.8593 -8.1465 3.8571 Angstrom
B260 -2.0632 3.6729 -5.6901 Angstrom
B261 7.0389 3.6729 -5.6901 Angstrom
B262 7.0383 3.6731 3.8571 Angstrom
B263 -0.8100 -0.2673 -8.0768 Angstrom
B264 8.2915 -0.2672 1.4703 Angstrom
B265 3.7388 -0.2667 8.6306 Angstrom
B266 8.2918 -0.2672 -3.3033 Angstrom
B267 9.1601 -3.0012 1.6665 Angstrom
End of basis
********************************************
Xfield
10299 Angstrom
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