# Details of computing
0: FAKHEH.cif
1: FOWXAQ.cif
2: FOWXEU.cif
3: HAYYAH.cif
4: HAYYAH01.cif
5: HMBENZ04.cif
6: HMBENZ06.cif
7: HMBENZ07.cif
8: HMBENZ08.cif
9: HMBENZ09.cif
10: HMBENZ10.cif
11: HMBENZ11.cif
12: HMBENZ12.cif
13: HMBENZ13.cif
14: HMBENZ14.cif
15: HMBENZ15.cif
16: HMBENZ16.cif
17: HMBENZ17.cif
18: MBZFBZ.cif
19: MBZTCE.cif
20: MBZTCE01.cif
21: SEYYEA.cif
22: SEYYEA01.cif
23: TADDUX.cif
24: VEQQUE.cif
25: XUYDOM.cif


-------------------------------------
012345678910111213141516171819202122232425
00.0000 7.5288 7.1849 3.8168 3.7197 4.0631 4.2376 4.2364 4.2329 4.1526 4.1979 4.2421 4.0715 4.0664 4.0550 4.0431 4.0428 4.0352 4.0545 3.7459 3.8275 4.0592 4.0597 7.5556 3.8841 4.3191
17.5288 0.0000 0.4014 2.9147 2.9731 7.7236 7.2833 7.2870 7.2870 7.3215 7.3212 7.2850 7.7250 7.7074 7.7042 7.7068 7.7023 7.7060 7.9102 7.5701 7.5449 7.7625 7.7527 0.1824 6.9641 6.7959
27.1849 0.4014 0.0000 3.0852 3.1273 7.5475 7.1968 7.1978 7.1962 7.2559 7.2553 7.1967 7.5491 7.5337 7.5326 7.5332 7.5290 7.5308 7.6271 7.3568 7.3638 7.4800 7.4733 0.6114 6.6860 6.5960
33.8168 2.9147 3.0852 0.0000 1.0135 1.6133 1.7123 1.7121 1.7141 1.6033 1.6096 1.7098 1.5932 1.6105 1.6088 1.6108 1.6105 1.6142 2.8845 2.5801 2.5147 2.8914 2.8914 2.2546 2.4088 2.2009
43.7197 2.9731 3.1273 1.0135 0.0000 1.7109 1.8037 1.8033 1.8004 1.6307 1.6680 1.8041 1.6957 1.7065 1.6986 1.6985 1.7007 1.7043 2.7879 2.5707 2.5289 2.8313 2.8216 2.2239 2.3611 2.0929
54.0631 7.7236 7.5475 1.6133 1.7109 0.0000 2.4992 2.4967 2.4973 2.2349 2.2363 2.4970 0.0582 0.0170 0.0364 0.0581 0.0679 0.0841 2.4952 2.2961 2.2714 2.5061 2.5024 6.9567 2.4975 2.7259
64.2376 7.2833 7.1968 1.7123 1.8037 2.4992 0.0000 0.0134 0.0283 0.0347 0.0393 0.0414 1.3839 1.4193 1.4249 1.4326 1.4322 1.4391 3.1620 2.9539 2.9186 3.1384 3.1369 6.9453 3.0090 2.9242
74.2364 7.2870 7.1978 1.7121 1.8033 2.4967 0.0134 0.0000 0.0153 0.0216 0.0263 0.0285 1.3837 1.4188 1.4246 1.4317 1.4314 1.4380 3.1685 2.9602 2.9258 3.1463 3.1448 6.9502 3.0128 2.9259
84.2329 7.2870 7.1962 1.7141 1.8004 2.4973 0.0283 0.0153 0.0000 0.0070 0.0118 0.0139 1.3858 1.4204 1.4268 1.4335 1.4332 1.4394 3.1749 2.9658 2.9323 3.1541 3.1525 6.9526 3.0179 2.9270
94.1526 7.3215 7.2559 1.6033 1.6307 2.2349 0.0347 0.0216 0.0070 0.0000 0.0049 0.0073 1.3867 1.4211 1.4280 1.4344 1.4341 1.4402 3.1783 2.9684 2.9353 3.1582 3.1567 6.9542 3.0203 2.9291
104.1979 7.3212 7.2553 1.6096 1.6680 2.2363 0.0393 0.0263 0.0118 0.0049 0.0000 0.0029 1.3872 1.4215 1.4287 1.4352 1.4350 1.4409 3.1803 2.9702 2.9374 3.1607 3.1591 6.9554 3.0221 2.9295
114.2421 7.2850 7.1967 1.7098 1.8041 2.4970 0.0414 0.0285 0.0139 0.0073 0.0029 0.0000 1.3869 1.4212 1.4283 1.4355 1.4357 1.4416 3.1808 2.9706 2.9377 3.1612 3.1596 6.9558 3.0227 2.9290
124.0715 7.7250 7.5491 1.5932 1.6957 0.0582 1.3839 1.3837 1.3858 1.3867 1.3872 1.3869 0.0000 0.0576 0.0751 0.0932 0.1013 0.1215 2.4948 2.2954 2.2773 2.5050 2.5019 6.9694 2.4974 2.7450
134.0664 7.7074 7.5337 1.6105 1.7065 0.0170 1.4193 1.4188 1.4204 1.4211 1.4215 1.4212 0.0576 0.0000 0.0312 0.0580 0.0685 0.0876 2.4935 2.2994 2.2718 2.5018 2.4982 6.9346 2.4928 2.7245
144.0550 7.7042 7.5326 1.6088 1.6986 0.0364 1.4249 1.4246 1.4268 1.4280 1.4287 1.4283 0.0751 0.0312 0.0000 0.0281 0.0392 0.0611 2.5092 2.3199 2.2968 2.5182 2.5144 6.9346 2.5061 2.7140
154.0431 7.7068 7.5332 1.6108 1.6985 0.0581 1.4326 1.4317 1.4335 1.4344 1.4352 1.4355 0.0932 0.0580 0.0281 0.0000 0.0153 0.0353 2.5217 2.3326 2.3148 2.5325 2.5284 6.9337 2.5169 2.7114
164.0428 7.7023 7.5290 1.6105 1.7007 0.0679 1.4322 1.4314 1.4332 1.4341 1.4350 1.4357 0.1013 0.0685 0.0392 0.0153 0.0000 0.0244 2.5273 2.3419 2.3267 2.5383 2.5338 6.9230 2.5253 2.7165
174.0352 7.7060 7.5308 1.6142 1.7043 0.0841 1.4391 1.4380 1.4394 1.4402 1.4409 1.4416 0.1215 0.0876 0.0611 0.0353 0.0244 0.0000 2.5311 2.3455 2.3341 2.5443 2.5393 6.9277 2.5354 2.7177
184.0545 7.9102 7.6271 2.8845 2.7879 2.4952 3.1620 3.1685 3.1749 3.1783 3.1803 3.1808 2.4948 2.4935 2.5092 2.5217 2.5273 2.5311 0.0000 1.2560 1.5526 0.2728 0.2312 7.7244 2.5551 3.9987
193.7459 7.5701 7.3568 2.5801 2.5707 2.2961 2.9539 2.9602 2.9658 2.9684 2.9702 2.9706 2.2954 2.2994 2.3199 2.3326 2.3419 2.3455 1.2560 0.0000 0.3380 1.2041 1.1983 7.4995 1.9962 3.7047
203.8275 7.5449 7.3638 2.5147 2.5289 2.2714 2.9186 2.9258 2.9323 2.9353 2.9374 2.9377 2.2773 2.2718 2.2968 2.3148 2.3267 2.3341 1.5526 0.3380 0.0000 1.4637 1.4774 7.4553 2.0047 3.5070
214.0592 7.7625 7.4800 2.8914 2.8313 2.5061 3.1384 3.1463 3.1541 3.1582 3.1607 3.1612 2.5050 2.5018 2.5182 2.5325 2.5383 2.5443 0.2728 1.2041 1.4637 0.0000 0.0517 7.5461 2.4095 3.7561
224.0597 7.7527 7.4733 2.8914 2.8216 2.5024 3.1369 3.1448 3.1525 3.1567 3.1591 3.1596 2.5019 2.4982 2.5144 2.5284 2.5338 2.5393 0.2312 1.1983 1.4774 0.0517 0.0000 7.5557 2.4319 3.7951
237.5556 0.1824 0.6114 2.2546 2.2239 6.9567 6.9453 6.9502 6.9526 6.9542 6.9554 6.9558 6.9694 6.9346 6.9346 6.9337 6.9230 6.9277 7.7244 7.4995 7.4553 7.5461 7.5557 0.0000 6.9946 6.6948
243.8841 6.9641 6.6860 2.4088 2.3611 2.4975 3.0090 3.0128 3.0179 3.0203 3.0221 3.0227 2.4974 2.4928 2.5061 2.5169 2.5253 2.5354 2.5551 1.9962 2.0047 2.4095 2.4319 6.9946 0.0000 3.0038
254.3191 6.7959 6.5960 2.2009 2.0929 2.7259 2.9242 2.9259 2.9270 2.9291 2.9295 2.9290 2.7450 2.7245 2.7140 2.7114 2.7165 2.7177 3.9987 3.7047 3.5070 3.7561 3.7951 6.6948 3.0038 0.0000