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(alpha) 1.000 Maximum AH scaling param. 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(alpha) 1.000 Maximum AH scaling param. 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( 0.0s) Cavity surface points 1362 Cavity Volume 1477.9409 Cavity Surface-area 739.4062 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.1s) Overall time for CPCM initialization 0.1s 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -7544.8871 -2092.8552 -2092.8330 -2092.8096 -2092.7749 -2092.7612 -2092.5065 -2092.5029 -2092.4971 -888.7407 -769.5360 -769.5281 -769.4916 -175.9327 -175.9136 -175.8929 -175.8623 -175.8503 -175.5799 -175.5757 -175.5703 -125.5594 -125.5469 -125.5388 -125.5289 -125.5167 -125.5067 -125.4972 -125.4839 -125.4789 -125.4748 -125.4709 -125.4626 -125.4569 -125.4278 -125.4164 -125.1962 -125.1908 -125.1867 -125.1829 -125.1806 -125.1733 -125.1687 -125.1577 -125.1531 -99.1489 -63.3519 -63.2499 -63.2334 -18.9359 -18.3709 -16.2924 -16.2754 -12.6451 -12.6433 -12.0578 -12.0556 -9.2135 -8.9095 -7.9050 -7.3471 -7.3414 -7.2868 -7.2739 -6.8023 -6.6930 -6.6902 -6.1735 -6.1376 -5.5402 -5.5310 -4.9508 -4.8498 -4.8193 -1.5988 -1.5932 -1.3915 -1.3809 -0.2124 -0.1618 0.0414 0.4363 0.5014 0.6256 0.6557 -1.0000000 0 1 2 3 4 5 6 7 8 P P P P P P P P Co -0.248543 -0.276189 -0.248712 -0.263930 -0.255233 -0.195402 -0.219592 -0.204973 0.912574 0 1 2 3 4 5 6 7 8 P P P P P P P P Co 0.091322 0.074463 0.093822 0.079398 0.084377 0.106881 0.107795 0.107390 -1.745448 0 1 2 3 4 5 6 7 8 P P P P P P P P Co 15.2485 15.2762 15.2487 15.2639 15.2552 15.1954 15.2196 15.2050 26.0874 15.0000 15.0000 15.0000 15.0000 15.0000 15.0000 15.0000 15.0000 27.0000 -0.2485 -0.2762 -0.2487 -0.2639 -0.2552 -0.1954 -0.2196 -0.2050 0.9126 2.8494 2.9049 2.8400 2.8931 2.8763 2.6881 2.6878 2.6867 2.8783 2.8494 2.9049 2.8400 2.8931 2.8763 2.6881 2.6878 2.6867 2.8783 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 1.2353 1.1848 0.2716 1.2224 0.2372 1.1971 0.2692 1.2477 0.2544 0.2654 1.0421 1.0399 0.5417 1.0435 0.5109 0.5279 0 1 0 4 0 8 1 2 1 8 2 3 2 8 3 4 3 8 4 8 5 6 5 7 5 8 6 7 6 8 7 8 -0.048435354 -4114.267707562314 -0.006050077 -0.000996594 -0.007046671 -0.032857993 -0.007040826 -0.039898819 0.464784713 0.079824192 0.544608905 SCF 0.546113936 1.388111309 298.15 1.00 306.72 -4114.26770756 0.01559714 0.00894222 0.00141627 0.00141627 -4114.24033566 0.01177476 0.01559714 0.02737190 -4114.24033566 0.00094421 -4114.23939146 0.00000000 0.01604210 0.01506716 0.02045856 0.05156782 -4114.23939146 -0.05156782 -4114.29095928 -0.02325171