Start of run 0.000 -------------- end of scf step 46.775 -------------- end of scf step 55.274 -------------- end of scf step 63.765 -------------- end of scf step 72.261 -------------- end of scf step 80.843 -------------- end of scf step 89.467 -------------- end of scf step 98.070 -------------- end of scf step 106.649 -------------- end of scf step 115.273 -------------- end of scf step 123.962 -------------- end of scf step 132.632 -------------- end of scf step 141.216 -------------- end of scf step 149.785 -------------- end of scf step 158.355 -------------- end of scf step 166.928 -------------- end of scf step 175.499 -------------- end of scf step 184.061 -------------- end of scf step 192.624 --- end of geometry step 199.798 -------------- end of scf step 247.172 -------------- end of scf step 255.773 -------------- end of scf step 264.365 -------------- end of scf step 272.921 -------------- end of scf step 282.412 -------------- end of scf step 290.975 -------------- end of scf step 299.511 --- end of geometry step 306.581 -------------- end of scf step 352.960 -------------- end of scf step 361.444 -------------- end of scf step 369.956 -------------- end of scf step 378.480 -------------- end of scf step 386.999 -------------- end of scf step 395.515 -------------- end of scf step 404.024 -------------- end of scf step 412.515 --- end of geometry step 419.567 -------------- end of scf step 466.421 -------------- end of scf step 476.726 -------------- end of scf step 485.186 -------------- end of scf step 493.650 -------------- end of scf step 502.118 -------------- end of scf step 510.579 -------------- end of scf step 519.058 -------------- end of scf step 527.505 -------------- end of scf step 535.951 --- end of geometry step 542.988 -------------- end of scf step 589.357 -------------- end of scf step 597.883 -------------- end of scf step 606.393 -------------- end of scf step 614.917 -------------- end of scf step 623.429 -------------- end of scf step 632.001 -------------- end of scf step 640.528 -------------- end of scf step 649.084 -------------- end of scf step 657.639 --- end of geometry step 664.624 -------------- end of scf step 710.873 -------------- end of scf step 719.448 -------------- end of scf step 727.980 -------------- end of scf step 736.477 -------------- end of scf step 745.018 -------------- end of scf step 753.528 -------------- end of scf step 762.137 -------------- end of scf step 770.754 -------------- end of scf step 779.259 --- end of geometry step 786.336 -------------- end of scf step 833.308 -------------- end of scf step 841.850 -------------- end of scf step 850.411 -------------- end of scf step 858.947 -------------- end of scf step 867.474 -------------- end of scf step 876.027 -------------- end of scf step 884.539 -------------- end of scf step 893.050 -------------- end of scf step 901.574 --- end of geometry step 908.566 -------------- end of scf step 954.881 -------------- end of scf step 963.420 -------------- end of scf step 971.929 -------------- end of scf step 980.442 -------------- end of scf step 988.956 -------------- end of scf step 997.465 -------------- end of scf step 1005.943 -------------- end of scf step 1014.599 -------------- end of scf step 1023.129 --- end of geometry step 1030.142 -------------- end of scf step 1076.647 -------------- end of scf step 1085.184 -------------- end of scf step 1093.731 -------------- end of scf step 1102.279 -------------- end of scf step 1110.820 -------------- end of scf step 1119.350 -------------- end of scf step 1127.882 -------------- end of scf step 1136.436 -------------- end of scf step 1145.014 --- end of geometry step 1152.056 -------------- end of scf step 1198.402 -------------- end of scf step 1207.005 -------------- end of scf step 1215.670 -------------- end of scf step 1224.278 -------------- end of scf step 1232.890 -------------- end of scf step 1241.488 -------------- end of scf step 1250.067 -------------- end of scf step 1258.664 -------------- end of scf step 1267.243 --- end of geometry step 1275.113 -------------- end of scf step 1321.214 -------------- end of scf step 1329.802 -------------- end of scf step 1338.345 -------------- end of scf step 1346.880 -------------- end of scf step 1355.496 -------------- end of scf step 1364.064 -------------- end of scf step 1372.600 -------------- end of scf step 1381.114 --- end of geometry step 1388.128 -------------- end of scf step 1435.062 -------------- end of scf step 1443.594 -------------- end of scf step 1452.126 -------------- end of scf step 1460.670 -------------- end of scf step 1469.213 -------------- end of scf step 1477.745 -------------- end of scf step 1486.270 -------------- end of scf step 1494.799 --- end of geometry step 1502.258 -------------- end of scf step 1548.430 -------------- end of scf step 1556.953 -------------- end of scf step 1565.531 -------------- end of scf step 1574.100 -------------- end of scf step 1582.645 -------------- end of scf step 1591.191 -------------- end of scf step 1599.740 -------------- end of scf step 1608.252 --- end of geometry step 1615.283 -------------- end of scf step 1662.089 -------------- end of scf step 1670.639 -------------- end of scf step 1679.190 -------------- end of scf step 1687.728 -------------- end of scf step 1696.269 -------------- end of scf step 1704.830 -------------- end of scf step 1713.394 -------------- end of scf step 1722.648 --- end of geometry step 1729.669 -------------- end of scf step 1775.907 -------------- end of scf step 1784.478 -------------- end of scf step 1793.008 -------------- end of scf step 1801.543 -------------- end of scf step 1810.121 -------------- end of scf step 1818.637 -------------- end of scf step 1827.182 -------------- end of scf step 1835.673 --- end of geometry step 1842.663 -------------- end of scf step 1888.770 -------------- end of scf step 1897.356 -------------- end of scf step 1905.862 -------------- end of scf step 1914.402 -------------- end of scf step 1922.927 -------------- end of scf step 1931.454 -------------- end of scf step 1940.003 -------------- end of scf step 1948.491 --- end of geometry step 1955.561 -------------- end of scf step 2002.382 -------------- end of scf step 2010.922 -------------- end of scf step 2019.681 -------------- end of scf step 2028.163 -------------- end of scf step 2036.650 -------------- end of scf step 2045.173 -------------- end of scf step 2053.660 -------------- end of scf step 2062.137 --- end of geometry step 2069.181 -------------- end of scf step 2115.234 -------------- end of scf step 2123.796 -------------- end of scf step 2132.328 -------------- end of scf step 2140.827 -------------- end of scf step 2149.316 -------------- end of scf step 2157.823 -------------- end of scf step 2166.333 -------------- end of scf step 2174.813 --- end of geometry step 2181.954 -------------- end of scf step 2229.088 -------------- end of scf step 2237.738 -------------- end of scf step 2246.241 -------------- end of scf step 2254.782 -------------- end of scf step 2263.330 -------------- end of scf step 2271.919 -------------- end of scf step 2280.505 -------------- end of scf step 2289.005 --- end of geometry step 2296.071 -------------- end of scf step 2342.491 -------------- end of scf step 2351.172 -------------- end of scf step 2359.764 -------------- end of scf step 2368.361 -------------- end of scf step 2376.846 -------------- end of scf step 2385.330 -------------- end of scf step 2393.800 -------------- end of scf step 2402.263 --- end of geometry step 2409.393 -------------- end of scf step 2455.475 -------------- end of scf step 2464.083 -------------- end of scf step 2472.615 -------------- end of scf step 2481.190 -------------- end of scf step 2489.692 -------------- end of scf step 2498.221 -------------- end of scf step 2506.727 -------------- end of scf step 2515.289 --- end of geometry step 2522.348 -------------- end of scf step 2568.751 -------------- end of scf step 2577.297 -------------- end of scf step 2585.817 -------------- end of scf step 2594.276 -------------- end of scf step 2602.802 -------------- end of scf step 2611.396 -------------- end of scf step 2619.913 -------------- end of scf step 2628.557 --- end of geometry step 2635.696 -------------- end of scf step 2681.973 -------------- end of scf step 2690.523 -------------- end of scf step 2699.028 -------------- end of scf step 2707.588 -------------- end of scf step 2716.087 -------------- end of scf step 2724.587 -------------- end of scf step 2733.065 -------------- end of scf step 2741.554 --- end of geometry step 2748.606 -------------- end of scf step 2795.185 -------------- end of scf step 2803.821 -------------- end of scf step 2812.349 -------------- end of scf step 2821.287 -------------- end of scf step 2829.830 -------------- end of scf step 2838.382 -------------- end of scf step 2846.943 -------------- end of scf step 2855.493 --- end of geometry step 2862.601 -------------- end of scf step 2908.772 -------------- end of scf step 2917.279 -------------- end of scf step 2925.811 -------------- end of scf step 2934.380 -------------- end of scf step 2942.929 -------------- end of scf step 2951.509 -------------- end of scf step 2960.136 -------------- end of scf step 2968.654 --- end of geometry step 2975.683 -------------- end of scf step 3022.070 -------------- end of scf step 3030.607 -------------- end of scf step 3039.157 -------------- end of scf step 3047.730 -------------- end of scf step 3056.278 -------------- end of scf step 3064.879 -------------- end of scf step 3073.399 -------------- end of scf step 3081.950 --- end of geometry step 3089.004 -------------- end of scf step 3135.651 -------------- end of scf step 3144.200 -------------- end of scf step 3152.818 -------------- end of scf step 3161.339 -------------- end of scf step 3169.853 -------------- end of scf step 3178.414 -------------- end of scf step 3186.929 -------------- end of scf step 3195.433 --- end of geometry step 3202.543 -------------- end of scf step 3249.071 -------------- end of scf step 3257.687 -------------- end of scf step 3266.243 -------------- end of scf step 3274.830 -------------- end of scf step 3283.386 -------------- end of scf step 3291.945 -------------- end of scf step 3300.483 -------------- end of scf step 3308.995 --- end of geometry step 3316.142 -------------- end of scf step 3362.872 -------------- end of scf step 3371.389 -------------- end of scf step 3379.919 -------------- end of scf step 3388.467 -------------- end of scf step 3396.981 -------------- end of scf step 3405.509 -------------- end of scf step 3414.022 -------------- end of scf step 3422.534 --- end of geometry step 3429.649 -------------- end of scf step 3475.909 -------------- end of scf step 3484.501 -------------- end of scf step 3493.087 -------------- end of scf step 3501.642 -------------- end of scf step 3510.204 -------------- end of scf step 3518.790 -------------- end of scf step 3527.625 -------------- end of scf step 3536.173 --- end of geometry step 3543.269 -------------- end of scf step 3589.543 -------------- end of scf step 3598.114 -------------- end of scf step 3606.646 -------------- end of scf step 3615.152 -------------- end of scf step 3623.661 -------------- end of scf step 3632.206 -------------- end of scf step 3640.703 -------------- end of scf step 3649.242 --- end of geometry step 3656.345 -------------- end of scf step 3703.129 -------------- end of scf step 3711.765 -------------- end of scf step 3720.315 -------------- end of scf step 3728.891 -------------- end of scf step 3737.438 -------------- end of scf step 3745.979 -------------- end of scf step 3754.492 -------------- end of scf step 3763.013 --- end of geometry step 3770.134 -------------- end of scf step 3816.958 -------------- end of scf step 3825.518 -------------- end of scf step 3834.105 -------------- end of scf step 3842.715 -------------- end of scf step 3851.291 -------------- end of scf step 3859.872 -------------- end of scf step 3868.442 -------------- end of scf step 3877.028 -------------- end of scf step 3885.572 -------------- end of scf step 3894.129 --- end of geometry step 3901.318 -------------- end of scf step 3948.075 -------------- end of scf step 3956.662 -------------- end of scf step 3965.180 -------------- end of scf step 3973.756 -------------- end of scf step 3982.291 -------------- end of scf step 3990.815 -------------- end of scf step 3999.374 -------------- end of scf step 4007.927 -------------- end of scf step 4016.472 -------------- end of scf step 4025.029 --- end of geometry step 4032.243 -------------- end of scf step 4080.625 -------------- end of scf step 4089.165 -------------- end of scf step 4097.734 -------------- end of scf step 4106.297 -------------- end of scf step 4114.928 -------------- end of scf step 4123.593 -------------- end of scf step 4132.284 -------------- end of scf step 4140.960 -------------- end of scf step 4149.651 -------------- end of scf step 4158.306 --- end of geometry step 4165.470 -------------- end of scf step 4211.963 -------------- end of scf step 4220.522 -------------- end of scf step 4229.024 -------------- end of scf step 4237.585 -------------- end of scf step 4246.132 -------------- end of scf step 4254.629 -------------- end of scf step 4263.186 -------------- end of scf step 4271.716 -------------- end of scf step 4280.229 -------------- end of scf step 4288.743 --- end of geometry step 4295.819 -------------- end of scf step 4341.831 -------------- end of scf step 4350.391 -------------- end of scf step 4358.955 -------------- end of scf step 4367.567 -------------- end of scf step 4376.121 -------------- end of scf step 4384.669 -------------- end of scf step 4393.266 -------------- end of scf step 4401.808 -------------- end of scf step 4410.343 -------------- end of scf step 4418.873 --- end of geometry step 4425.930 -------------- end of scf step 4472.188 -------------- end of scf step 4480.643 -------------- end of scf step 4489.120 -------------- end of scf step 4497.699 -------------- end of scf step 4506.195 -------------- end of scf step 4514.699 -------------- end of scf step 4523.243 -------------- end of scf step 4531.735 -------------- end of scf step 4540.262 -------------- end of scf step 4548.775 --- end of geometry step 4555.855 -------------- end of scf step 4601.809 -------------- end of scf step 4610.364 -------------- end of scf step 4618.922 -------------- end of scf step 4627.486 -------------- end of scf step 4635.985 -------------- end of scf step 4644.563 -------------- end of scf step 4653.127 -------------- end of scf step 4661.597 -------------- end of scf step 4670.123 -------------- end of scf step 4678.647 --- end of geometry step 4685.734 -------------- end of scf step 4731.896 -------------- end of scf step 4740.417 -------------- end of scf step 4748.936 -------------- end of scf step 4757.457 -------------- end of scf step 4766.088 -------------- end of scf step 4774.600 -------------- end of scf step 4783.144 -------------- end of scf step 4791.680 -------------- end of scf step 4800.234 -------------- end of scf step 4808.766 --- end of geometry step 4815.829 -------------- end of scf step 4862.097 -------------- end of scf step 4870.615 -------------- end of scf step 4879.094 -------------- end of scf step 4887.643 -------------- end of scf step 4896.186 -------------- end of scf step 4904.698 -------------- end of scf step 4913.265 -------------- end of scf step 4921.802 -------------- end of scf step 4930.567 -------------- end of scf step 4939.096 --- end of geometry step 4946.149 -------------- end of scf step 4992.928 -------------- end of scf step 5001.433 -------------- end of scf step 5009.967 -------------- end of scf step 5018.503 -------------- end of scf step 5027.015 -------------- end of scf step 5035.537 -------------- end of scf step 5044.074 -------------- end of scf step 5052.578 -------------- end of scf step 5061.131 -------------- end of scf step 5069.641 --- end of geometry step 5076.763 -------------- end of scf step 5122.874 -------------- end of scf step 5131.323 -------------- end of scf step 5139.819 -------------- end of scf step 5148.342 -------------- end of scf step 5156.895 -------------- end of scf step 5165.435 -------------- end of scf step 5173.949 -------------- end of scf step 5182.477 -------------- end of scf step 5190.978 -------------- end of scf step 5199.497 --- end of geometry step 5206.579 -------------- end of scf step 5252.740 -------------- end of scf step 5261.258 -------------- end of scf step 5269.725 -------------- end of scf step 5278.174 -------------- end of scf step 5286.644 -------------- end of scf step 5295.100 -------------- end of scf step 5303.566 -------------- end of scf step 5312.015 -------------- end of scf step 5320.510 --- end of geometry step 5327.669 -------------- end of scf step 5373.788 -------------- end of scf step 5382.285 -------------- end of scf step 5390.769 -------------- end of scf step 5399.259 -------------- end of scf step 5407.743 -------------- end of scf step 5416.228 -------------- end of scf step 5424.768 -------------- end of scf step 5433.275 --- end of geometry step 5440.424 -------------- end of scf step 5486.724 -------------- end of scf step 5495.262 -------------- end of scf step 5503.821 -------------- end of scf step 5512.332 -------------- end of scf step 5520.864 -------------- end of scf step 5529.379 -------------- end of scf step 5537.928 -------------- end of scf step 5546.392 --- end of geometry step 5553.476 -------------- end of scf step 5599.389 -------------- end of scf step 5607.858 -------------- end of scf step 5616.300 -------------- end of scf step 5624.766 -------------- end of scf step 5633.219 -------------- end of scf step 5641.697 -------------- end of scf step 5650.181 -------------- end of scf step 5658.635 --- end of geometry step 5665.745 -------------- end of scf step 5711.906 -------------- end of scf step 5720.415 -------------- end of scf step 5728.937 -------------- end of scf step 5737.462 -------------- end of scf step 5745.971 -------------- end of scf step 5754.771 -------------- end of scf step 5763.309 -------------- end of scf step 5771.856 --- end of geometry step 5778.950 -------------- end of scf step 5824.952 -------------- end of scf step 5833.394 -------------- end of scf step 5841.877 -------------- end of scf step 5850.410 -------------- end of scf step 5858.987 -------------- end of scf step 5867.485 -------------- end of scf step 5875.996 -------------- end of scf step 5885.052 --- end of geometry step 5892.061 -------------- end of scf step 5938.281 -------------- end of scf step 5946.763 -------------- end of scf step 5955.272 -------------- end of scf step 5963.786 -------------- end of scf step 5972.312 -------------- end of scf step 5980.873 -------------- end of scf step 5989.656 -------------- end of scf step 5998.325 --- end of geometry step 6005.445 -------------- end of scf step 6051.642 -------------- end of scf step 6060.063 -------------- end of scf step 6068.469 -------------- end of scf step 6076.876 -------------- end of scf step 6085.284 -------------- end of scf step 6093.689 -------------- end of scf step 6102.174 -------------- end of scf step 6110.554 --- end of geometry step 6117.683 -------------- end of scf step 6164.015 -------------- end of scf step 6172.570 -------------- end of scf step 6181.236 -------------- end of scf step 6189.796 -------------- end of scf step 6198.351 -------------- end of scf step 6206.918 -------------- end of scf step 6215.503 -------------- end of scf step 6224.061 --- end of geometry step 6231.080 -------------- end of scf step 6277.368 -------------- end of scf step 6285.876 -------------- end of scf step 6294.364 -------------- end of scf step 6302.904 -------------- end of scf step 6311.452 -------------- end of scf step 6319.941 -------------- end of scf step 6328.460 -------------- end of scf step 6337.211 --- end of geometry step 6344.256 -------------- end of scf step 6390.538 -------------- end of scf step 6399.117 -------------- end of scf step 6407.644 -------------- end of scf step 6416.166 -------------- end of scf step 6424.711 -------------- end of scf step 6433.228 -------------- end of scf step 6441.791 -------------- end of scf step 6450.301 -------------- end of scf step 6458.797 --- end of geometry step 6466.156 -------------- end of scf step 6512.877 -------------- end of scf step 6521.364 -------------- end of scf step 6529.812 -------------- end of scf step 6538.543 -------------- end of scf step 6547.049 -------------- end of scf step 6555.542 -------------- end of scf step 6564.041 -------------- end of scf step 6572.527 --- end of geometry step 6579.493 -------------- end of scf step 6625.449 -------------- end of scf step 6633.960 -------------- end of scf step 6642.452 -------------- end of scf step 6650.943 -------------- end of scf step 6659.541 -------------- end of scf step 6668.041 -------------- end of scf step 6676.547 -------------- end of scf step 6685.073 --- end of geometry step 6692.102 -------------- end of scf step 6738.051 -------------- end of scf step 6746.503 -------------- end of scf step 6754.983 -------------- end of scf step 6763.475 -------------- end of scf step 6771.958 -------------- end of scf step 6780.445 -------------- end of scf step 6788.953 -------------- end of scf step 6797.429 --- end of geometry step 6804.557 -------------- end of scf step 6851.254 -------------- end of scf step 6859.760 -------------- end of scf step 6868.300 -------------- end of scf step 6876.791 -------------- end of scf step 6885.277 -------------- end of scf step 6893.779 -------------- end of scf step 6902.312 -------------- end of scf step 6910.795 --- end of geometry step 6917.817 -------------- end of scf step 6964.873 -------------- end of scf step 6973.375 -------------- end of scf step 6981.861 -------------- end of scf step 6990.329 -------------- end of scf step 6998.755 -------------- end of scf step 7007.230 -------------- end of scf step 7015.692 -------------- end of scf step 7024.168 --- end of geometry step 7031.238 -------------- end of scf step 7077.979 -------------- end of scf step 7086.451 -------------- end of scf step 7094.911 -------------- end of scf step 7103.393 -------------- end of scf step 7111.990 -------------- end of scf step 7120.498 -------------- end of scf step 7129.060 -------------- end of scf step 7137.645 --- end of geometry step 7144.652 -------------- end of scf step 7191.938 -------------- end of scf step 7200.371 -------------- end of scf step 7208.813 -------------- end of scf step 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-------------- end of scf step 7550.391 -------------- end of scf step 7558.843 -------------- end of scf step 7567.331 -------------- end of scf step 7575.860 -------------- end of scf step 7584.460 --- end of geometry step 7591.624 -------------- end of scf step 7638.618 -------------- end of scf step 7647.130 -------------- end of scf step 7655.613 -------------- end of scf step 7664.113 -------------- end of scf step 7672.659 -------------- end of scf step 7681.167 -------------- end of scf step 7689.910 -------------- end of scf step 7698.522 --- end of geometry step 7705.853 -------------- end of scf step 7752.960 -------------- end of scf step 7761.450 -------------- end of scf step 7769.935 -------------- end of scf step 7778.418 -------------- end of scf step 7786.863 -------------- end of scf step 7795.324 -------------- end of scf step 7804.205 -------------- end of scf step 7812.710 --- end of geometry step 7819.887 -------------- end of scf step 7866.988 -------------- end of scf step 7875.515 -------------- end of scf step 7884.050 -------------- end of scf step 7892.611 -------------- end of scf step 7901.142 -------------- end of scf step 7909.783 -------------- end of scf step 7918.390 -------------- end of scf step 7926.961 --- end of geometry step 7934.141 -------------- end of scf step 7981.321 -------------- end of scf step 7989.850 -------------- end of scf step 7998.348 -------------- end of scf step 8006.908 -------------- end of scf step 8015.387 -------------- end of scf step 8023.872 -------------- end of scf step 8032.373 -------------- end of scf step 8040.840 --- end of geometry step 8048.220 -------------- end of scf step 8095.365 -------------- end of scf step 8103.894 -------------- end of scf step 8112.408 -------------- end of scf step 8120.915 -------------- end of scf step 8129.428 -------------- end of scf step 8137.979 -------------- end of scf step 8146.534 -------------- end of scf step 8155.091 --- end of geometry step 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-------------- end of scf step 8497.404 -------------- end of scf step 8506.171 -------------- end of scf step 8514.758 -------------- end of scf step 8523.314 -------------- end of scf step 8531.973 --- end of geometry step 8539.150 -------------- end of scf step 8586.503 -------------- end of scf step 8595.009 -------------- end of scf step 8603.537 -------------- end of scf step 8612.072 -------------- end of scf step 8620.586 -------------- end of scf step 8629.117 -------------- end of scf step 8637.705 -------------- end of scf step 8646.269 --- end of geometry step 8653.381 -------------- end of scf step 8700.493 -------------- end of scf step 8709.003 -------------- end of scf step 8717.511 -------------- end of scf step 8726.094 -------------- end of scf step 8734.645 -------------- end of scf step 8743.188 -------------- end of scf step 8751.694 -------------- end of scf step 8760.211 --- end of geometry step 8767.312 -------------- end of scf step 8814.439 -------------- end of scf step 8822.892 -------------- end of scf step 8831.408 -------------- end of scf step 8839.930 -------------- end of scf step 8848.540 -------------- end of scf step 8857.496 -------------- end of scf step 8866.129 -------------- end of scf step 8874.662 --- end of geometry step 8882.030 -------------- end of scf step 8929.381 -------------- end of scf step 8937.867 -------------- end of scf step 8946.385 -------------- end of scf step 8954.910 -------------- end of scf step 8963.421 -------------- end of scf step 8972.013 -------------- end of scf step 8980.515 -------------- end of scf step 8989.076 --- end of geometry step 8996.162 -------------- end of scf step 9043.993 -------------- end of scf step 9052.607 -------------- end of scf step 9061.268 -------------- end of scf step 9069.797 -------------- end of scf step 9078.349 -------------- end of scf step 9086.942 -------------- end of scf step 9095.516 -------------- end of scf step 9104.029 --- end of geometry step 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-------------- end of scf step 11646.083 -------------- end of scf step 11654.600 -------------- end of scf step 11663.084 -------------- end of scf step 11671.581 -------------- end of scf step 11680.117 --- end of geometry step 11687.272 -------------- end of scf step 11734.812 -------------- end of scf step 11743.330 -------------- end of scf step 11751.864 -------------- end of scf step 11760.409 -------------- end of scf step 11768.891 -------------- end of scf step 11777.557 -------------- end of scf step 11786.059 -------------- end of scf step 11794.778 --- end of geometry step 11802.234 -------------- end of scf step 11850.717 -------------- end of scf step 11859.200 -------------- end of scf step 11867.685 -------------- end of scf step 11876.156 -------------- end of scf step 11884.689 -------------- end of scf step 11893.238 --- end of geometry step 11900.327 -------------- end of scf step 11948.020 -------------- end of scf step 11956.542 -------------- end of scf step 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scf step 13538.813 -------------- end of scf step 13547.319 -------------- end of scf step 13555.802 -------------- end of scf step 13564.304 -------------- end of scf step 13572.812 -------------- end of scf step 13581.297 --- end of geometry step 13588.843 -------------- end of scf step 13636.049 -------------- end of scf step 13644.554 -------------- end of scf step 13653.070 -------------- end of scf step 13661.555 -------------- end of scf step 13670.062 -------------- end of scf step 13678.675 -------------- end of scf step 13687.161 -------------- end of scf step 13695.660 --- end of geometry step 13702.816 -------------- end of scf step 13750.464 -------------- end of scf step 13758.991 -------------- end of scf step 13767.507 -------------- end of scf step 13776.025 -------------- end of scf step 13784.520 -------------- end of scf step 13793.227 --- end of geometry step 13800.347 -------------- end of scf step 13846.527 -------------- end of scf step 13854.987 -------------- 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of scf step 18689.457 --- end of geometry step 18696.330 -------------- end of scf step 18742.581 -------------- end of scf step 18751.015 -------------- end of scf step 18759.550 -------------- end of scf step 18768.327 -------------- end of scf step 18776.791 -------------- end of scf step 18785.194 -------------- end of scf step 18793.625 -------------- end of scf step 18802.029 -------------- end of scf step 18810.477 -------------- end of scf step 18818.876 --- end of geometry step 18825.777 -------------- end of scf step 18871.770 -------------- end of scf step 18880.177 -------------- end of scf step 18888.789 -------------- end of scf step 18897.168 -------------- end of scf step 18905.542 -------------- end of scf step 18913.906 -------------- end of scf step 18922.358 -------------- end of scf step 18930.948 -------------- end of scf step 18939.352 -------------- end of scf step 18947.723 --- end of geometry step 18954.452 -------------- end of scf step 19000.514 -------------- end of scf step 19008.847 -------------- end of scf step 19017.264 -------------- end of scf step 19025.607 -------------- end of scf step 19033.931 -------------- end of scf step 19042.258 -------------- end of scf step 19050.862 -------------- end of scf step 19059.225 --- end of geometry step 19066.117 -------------- end of scf step 19112.025 -------------- end of scf step 19120.456 -------------- end of scf step 19129.017 -------------- end of scf step 19137.622 -------------- end of scf step 19145.983 -------------- end of scf step 19154.402 -------------- end of scf step 19162.842 -------------- end of scf step 19171.410 -------------- end of scf step 19179.787 --- end of geometry step 19186.609 -------------- end of scf step 19232.604 -------------- end of scf step 19241.066 -------------- end of scf step 19249.405 -------------- end of scf step 19257.761 -------------- end of scf step 19266.147 -------------- end of scf step 19274.540 -------------- end of scf step 19283.207 -------------- end of scf step 19291.610 -------------- end of scf step 19299.979 --- end of geometry step 19306.880 -------------- end of scf step 19352.688 -------------- end of scf step 19361.070 -------------- end of scf step 19369.445 -------------- end of scf step 19379.076 -------------- end of scf step 19387.501 -------------- end of scf step 19395.924 -------------- end of scf step 19404.271 -------------- end of scf step 19412.583 -------------- end of scf step 19421.388 --- end of geometry step 19428.462 -------------- end of scf step 19474.487 -------------- end of scf step 19483.344 -------------- end of scf step 19491.717 -------------- end of scf step 19500.103 -------------- end of scf step 19508.492 -------------- end of scf step 19516.883 -------------- end of scf step 19525.247 -------------- end of scf step 19533.669 -------------- end of scf step 19542.034 --- end of geometry step 19548.955 -------------- end of scf step 19594.939 -------------- end of scf step 19603.381 -------------- end of scf step 19611.813 -------------- end of scf step 19620.218 -------------- end of scf step 19628.671 -------------- end of scf step 19637.087 -------------- end of scf step 19645.640 -------------- end of scf step 19654.043 -------------- end of scf step 19662.403 --- end of geometry step 19669.355 -------------- end of scf step 19715.481 -------------- end of scf step 19723.931 -------------- end of scf step 19732.378 -------------- end of scf step 19741.011 -------------- end of scf step 19749.477 -------------- end of scf step 19757.955 -------------- end of scf step 19766.437 -------------- end of scf step 19774.953 -------------- end of scf step 19783.436 --- end of geometry step 19790.341 -------------- end of scf step 19836.350 -------------- end of scf step 19844.797 -------------- end of scf step 19853.190 -------------- end of scf step 19861.591 -------------- end of scf step 19869.949 -------------- end of scf step 19879.396 -------------- end of scf step 19887.770 -------------- end of scf step 19896.168 -------------- end of scf step 19904.948 --- end of geometry step 19911.689 -------------- end of scf step 19957.656 -------------- end of scf step 19966.053 -------------- end of scf step 19974.462 -------------- end of scf step 19982.816 -------------- end of scf step 19991.227 -------------- end of scf step 19999.590 -------------- end of scf step 20008.072 -------------- end of scf step 20016.511 --- end of geometry step 20023.595 -------------- end of scf step 20069.130 -------------- end of scf step 20077.508 -------------- end of scf step 20086.498 -------------- end of scf step 20094.877 -------------- end of scf step 20103.404 -------------- end of scf step 20111.763 -------------- end of scf step 20120.138 -------------- end of scf step 20128.550 --- end of geometry step 20135.387 -------------- end of scf step 20181.397 -------------- end of scf step 20190.154 -------------- end of scf step 20198.629 -------------- end of scf step 20206.997 -------------- end of scf step 20215.424 -------------- end of scf step 20223.874 -------------- end of scf step 20232.250 -------------- end of scf step 20240.767 --- end of geometry step 20247.824 -------------- end of scf step 20294.024 -------------- end of scf step 20302.434 -------------- end of scf step 20310.819 -------------- end of scf step 20319.935 -------------- end of scf step 20328.389 -------------- end of scf step 20336.947 -------------- end of scf step 20345.301 -------------- end of scf step 20353.792 --- end of geometry step 20360.674 -------------- end of scf step 20406.621 -------------- end of scf step 20415.083 -------------- end of scf step 20423.588 -------------- end of scf step 20432.017 -------------- end of scf step 20440.433 -------------- end of scf step 20449.082 -------------- end of scf step 20457.496 -------------- end of scf step 20466.026 --- end of geometry step 20473.129 -------------- end of scf step 20518.958 -------------- end of scf step 20528.582 -------------- end of scf step 20537.161 -------------- end of scf step 20545.541 -------------- end of scf step 20553.925 -------------- end of scf step 20562.343 -------------- end of scf step 20570.755 -------------- end of scf step 20579.216 -------------- end of scf step 20588.172 --- end of geometry step 20595.119 -------------- end of scf step 20640.843 -------------- end of scf step 20649.259 -------------- end of scf step 20657.662 -------------- end of scf step 20666.066 -------------- end of scf step 20674.442 -------------- end of scf step 20682.826 -------------- end of scf step 20691.202 -------------- end of scf step 20699.765 -------------- end of scf step 20708.273 --- end of geometry step 20715.018 -------------- end of scf step 20761.266 -------------- end of scf step 20769.783 -------------- end of scf step 20779.433 -------------- end of scf step 20787.830 -------------- end of scf step 20796.287 -------------- end of scf step 20805.836 -------------- end of scf step 20814.579 -------------- end of scf step 20823.065 --- end of geometry step 20830.037 -------------- end of scf step 20875.529 -------------- end of scf step 20884.059 -------------- end of scf step 20892.722 -------------- end of scf step 20901.341 -------------- end of scf step 20909.834 -------------- end of scf step 20918.255 -------------- end of scf step 20926.815 -------------- end of scf step 20935.361 -------------- end of scf step 20945.037 --- end of geometry step 20951.896 -------------- end of scf step 20997.127 -------------- end of scf step 21005.517 -------------- end of scf step 21013.988 -------------- end of scf step 21022.422 -------------- end of scf step 21030.818 -------------- end of scf step 21039.196 -------------- end of scf step 21047.587 -------------- end of scf step 21056.084 -------------- end of scf step 21065.087 --- end of geometry step 21072.506 -------------- end of scf step 21117.874 -------------- end of scf step 21126.346 -------------- end of scf step 21134.807 -------------- end of scf step 21143.238 -------------- end of scf step 21151.648 -------------- end of scf step 21160.058 -------------- end of scf step 21168.482 -------------- end of scf step 21176.876 -------------- end of scf step 21185.347 --- end of geometry step 21192.064 -------------- end of scf step 21236.662 -------------- end of scf step 21245.135 -------------- end of scf step 21253.555 -------------- end of scf step 21261.913 --- end of geometry step 21268.628 -------------- end of scf step 21313.485 -------------- end of scf step 21321.932 -------------- end of scf step 21330.655 -------------- end of scf step 21339.116 -------------- end of scf step 21347.846 -------------- end of scf step 21356.323 -------------- end of scf step 21364.887 --- end of geometry step 21371.942 -------------- end of scf step 21416.825 -------------- end of scf step 21425.468 -------------- end of scf step 21433.914 -------------- end of scf step 21442.363 -------------- end of scf step 21450.766 -------------- end of scf step 21459.379 -------------- end of scf step 21467.822 --- end of geometry step 21474.576 -------------- end of scf step 21519.385 -------------- end of scf step 21527.960 -------------- end of scf step 21536.434 -------------- end of scf step 21545.477 -------------- end of scf step 21554.002 -------------- end of scf step 21563.314 -------------- end of scf step 21571.945 --- end of geometry step 21578.859 -------------- end of scf step 21623.613 -------------- end of scf step 21632.096 -------------- end of scf step 21640.567 -------------- end of scf step 21649.070 -------------- end of scf step 21657.936 -------------- end of scf step 21666.608 -------------- end of scf step 21675.120 --- end of geometry step 21682.242 -------------- end of scf step 21727.658 -------------- end of scf step 21736.196 -------------- end of scf step 21746.797 -------------- end of scf step 21755.245 -------------- end of scf step 21763.709 -------------- end of scf step 21772.162 -------------- end of scf step 21780.603 -------------- end of scf step 21789.146 -------------- end of scf step 21797.591 --- end of geometry step 21804.564 -------------- end of scf step 21849.620 -------------- end of scf step 21858.156 -------------- end of scf step 21866.758 -------------- end of scf step 21875.219 -------------- end of scf step 21883.775 -------------- end of scf step 21892.745 -------------- end of scf step 21901.303 -------------- end of scf step 21909.821 -------------- end of scf step 21918.312 --- end of geometry step 21925.018 -------------- end of scf step 21969.928 -------------- end of scf step 21978.591 -------------- end of scf step 21987.040 -------------- end of scf step 21995.500 --- end of geometry step 22002.409 -------------- end of scf step 22047.410 -------------- end of scf step 22055.990 -------------- end of scf step 22064.540 -------------- end of scf step 22073.161 -------------- end of scf step 22081.597 -------------- end of scf step 22090.055 -------------- end of scf step 22098.543 -------------- end of scf step 22107.138 --- end of geometry step 22114.092 -------------- end of scf step 22159.120 -------------- end of scf step 22167.732 -------------- end of scf step 22176.264 -------------- end of scf step 22184.671 -------------- end of scf step 22193.058 -------------- end of scf step 22201.447 -------------- end of scf step 22209.836 -------------- end of scf step 22218.395 --- end of geometry step 22225.160 -------------- end of scf step 22269.917 -------------- end of scf step 22278.499 -------------- end of scf step 22286.991 -------------- end of scf step 22295.462 -------------- end of scf step 22304.226 -------------- end of scf step 22312.740 -------------- end of scf step 22321.235 -------------- end of scf step 22329.884 --- end of geometry step 22337.089 -------------- end of scf step 22382.672 -------------- end of scf step 22391.338 -------------- end of scf step 22399.814 -------------- end of scf step 22408.244 -------------- end of scf step 22416.663 -------------- end of scf step 22425.018 -------------- end of scf step 22433.657 -------------- end of scf step 22442.175 --- end of geometry step 22448.988 -------------- end of scf step 22493.977 -------------- end of scf step 22502.559 -------------- end of scf step 22511.008 -------------- end of scf step 22519.432 -------------- end of scf step 22527.888 -------------- end of scf step 22536.523 -------------- end of scf step 22545.698 -------------- end of scf step 22554.152 -------------- end of scf step 22562.625 --- end of geometry step 22569.522 -------------- end of scf step 22614.325 -------------- end of scf step 22622.813 -------------- end of scf step 22631.384 -------------- end of scf step 22639.843 -------------- end of scf step 22648.397 -------------- end of scf step 22656.851 -------------- end of scf step 22665.325 -------------- end of scf step 22673.816 -------------- end of scf step 22682.254 --- end of geometry step 22689.000 -------------- end of scf step 22734.094 -------------- end of scf step 22742.576 -------------- end of scf step 22751.155 -------------- end of scf step 22759.544 -------------- end of scf step 22768.662 -------------- end of scf step 22777.084 -------------- end of scf step 22786.583 -------------- end of scf step 22795.213 -------------- end of scf step 22805.020 --- end of geometry step 22811.954 -------------- end of scf step 22857.016 -------------- end of scf step 22865.460 -------------- end of scf step 22873.985 -------------- end of scf step 22882.580 -------------- end of scf step 22891.021 -------------- end of scf step 22899.568 -------------- end of scf step 22908.369 -------------- end of scf step 22916.919 --- end of geometry step 22923.925 -------------- end of scf step 22969.314 -------------- end of scf step 22978.418 -------------- end of scf step 22986.872 -------------- end of scf step 22996.409 -------------- end of scf step 23005.109 -------------- end of scf step 23013.653 -------------- end of scf step 23022.124 -------------- end of scf step 23032.111 -------------- end of scf step 23040.627 -------------- end of scf step 23049.044 --- end of geometry step 23055.946 -------------- end of scf step 23101.201 -------------- end of scf step 23109.742 -------------- end of scf step 23118.453 -------------- end of scf step 23126.939 -------------- end of scf step 23135.372 -------------- end of scf step 23143.831 --- end of geometry step 23150.628 -------------- end of scf step 23195.362 -------------- end of scf step 23203.843 -------------- end of scf step 23212.462 -------------- end of scf step 23220.887 -------------- end of scf step 23230.268 -------------- end of scf step 23238.726 -------------- end of scf step 23248.396 -------------- end of scf step 23256.840 -------------- end of scf step 23266.259 --- end of geometry step 23273.238 -------------- end of scf step 23318.479 -------------- end of scf step 23327.026 -------------- end of scf step 23335.470 -------------- end of scf step 23343.910 -------------- end of scf step 23352.336 -------------- end of scf step 23360.792 -------------- end of scf step 23369.275 -------------- end of scf step 23377.762 -------------- end of scf step 23386.427 --- end of geometry step 23393.157 -------------- end of scf step 23437.892 -------------- end of scf step 23446.358 -------------- end of scf step 23454.924 -------------- end of scf step 23463.383 -------------- end of scf step 23471.748 -------------- end of scf step 23480.170 -------------- end of scf step 23488.942 -------------- end of scf step 23497.357 -------------- end of scf step 23505.765 --- end of geometry step 23512.541 -------------- end of scf step 23557.572 -------------- end of scf step 23566.127 -------------- end of scf step 23574.922 -------------- end of scf step 23583.334 -------------- end of scf step 23593.843 -------------- end of scf step 23602.279 -------------- end of scf step 23610.756 -------------- end of scf step 23619.291 -------------- end of scf step 23630.190 --- end of geometry step 23636.913 -------------- end of scf step 23682.217 -------------- end of scf step 23691.782 -------------- end of scf step 23700.258 -------------- end of scf step 23708.727 -------------- end of scf step 23717.183 -------------- end of scf step 23725.640 -------------- end of scf step 23734.224 -------------- end of scf step 23742.761 -------------- end of scf step 23751.188 --- end of geometry step 23757.894 -------------- end of scf step 23802.626 -------------- end of scf step 23811.017 -------------- end of scf step 23819.264 -------------- end of scf step 23827.642 -------------- end of scf step 23836.025 -------------- end of scf step 23844.310 -------------- end of scf step 23852.840 -------------- end of scf step 23861.372 --- end of geometry step 23868.143 -------------- end of scf step 23912.904 -------------- end of scf step 23921.208 -------------- end of scf step 23929.513 -------------- end of scf step 23937.774 -------------- end of scf step 23946.078 -------------- end of scf step 23954.404 --- end of geometry step 23961.193 -------------- end of scf step 24005.838 -------------- end of scf step 24014.289 -------------- end of scf step 24022.930 -------------- end of scf step 24031.359 -------------- end of scf step 24040.077 -------------- end of scf step 24050.676 -------------- end of scf step 24059.114 -------------- end of scf step 24067.678 --- end of geometry step 24074.369 -------------- end of scf step 24119.305 -------------- end of scf step 24127.712 -------------- end of scf step 24136.551 -------------- end of scf step 24144.956 -------------- end of scf step 24153.707 -------------- end of scf step 24162.139 --- end of geometry step 24169.005 -------------- end of scf step 24213.841 -------------- end of scf step 24222.287 -------------- end of scf step 24230.871 -------------- end of scf step 24239.762 -------------- end of scf step 24248.178 -------------- end of scf step 24256.616 -------------- end of scf step 24265.036 --- end of geometry step 24271.781 -------------- end of scf step 24316.474 -------------- end of scf step 24324.917 -------------- end of scf step 24333.584 -------------- end of scf step 24342.004 -------------- end of scf step 24350.854 --- end of geometry step 24357.773 End of run 24362.022