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0.215425 -0.657312 -0.487037 0.225050 -0.497939 0.197002 0.205406 0.162187 0.214350 0.199879 0.128052 0.296295 0.291477 0.482797 -0.290714 -0.285592 -0.287682 0.553331 0.054204 0.105300 0.067207 0.059149 -0.023936 -0.002824 -0.329819 -0.000122 0.002393 0.015276 0.005297 0.007054 0.028776 -0.066000 -0.063295 -0.165090 -0.074613 -0.083924 -0.088364 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 C C F F C C F C F F F F F F F F S O O O 5.7868 5.7190 9.5714 9.1936 5.5312 5.6077 9.1688 5.7224 9.1732 9.1855 9.1981 9.1671 9.1767 9.2126 9.0742 9.0885 15.1691 8.4267 8.4125 8.4148 6.0000 6.0000 9.0000 9.0000 6.0000 6.0000 9.0000 6.0000 9.0000 9.0000 9.0000 9.0000 9.0000 9.0000 9.0000 9.0000 16.0000 8.0000 8.0000 8.0000 0.2132 0.2810 -0.5714 -0.1936 0.4688 0.3923 -0.1688 0.2776 -0.1732 -0.1855 -0.1981 -0.1671 -0.1767 -0.2126 -0.0742 -0.0885 0.8309 -0.4267 -0.4125 -0.4148 3.7304 4.3568 0.7289 1.1169 4.5603 4.0555 1.1397 4.3057 1.1267 1.1173 1.0949 1.1370 1.1278 1.0633 1.2518 1.2377 5.8394 1.9971 1.9910 1.9888 3.3034 4.3539 0.7087 1.1124 4.5579 4.0555 1.1397 4.1429 1.1267 1.1173 1.0946 1.1370 1.1278 1.0626 1.2481 1.2344 5.7959 1.9915 1.9841 1.9811 0.4270 0.0029 0.0202 0.0045 0.0023 0.0000 0.0000 0.1629 0.0000 0.0000 0.0004 0.0000 0.0001 0.0007 0.0037 0.0033 0.0435 0.0056 0.0069 0.0077 1.0711 0.2031 1.0261 1.0472 0.9065 1.0907 1.0538 0.2737 1.1538 1.1476 1.0799 1.0935 0.9080 1.0657 1.1948 1.1744 0.3718 1.7920 1.7909 1.7844 0 1 0 2 0 3 0 4 1 5 1 9 1 10 2 7 4 11 4 12 4 13 5 6 5 7 5 8 7 14 7 15 7 16 16 17 16 18 16 19 -0.038265441 -1912.647109378750 -11.200871127 12.288510014 1.087638887 -0.884794133 1.007204687 0.122410554 -0.612439267 0.032950513 -0.579488754 SCF 1.238446571 3.147881016 298.15 1.00 349.09 -1912.64710938 0.06973609 0.01694648 0.00141627 0.00141627 -1912.55759426 0.01977903 0.06973609 0.08951512 -1912.55759426 0.00094421 -1912.55665005 0.00000000 0.03073944 0.01607932 0.02064181 0.06746056