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46.7329 47.1393 47.6233 47.7241 48.0999 48.5999 48.8472 48.9048 49.0972 49.2550 49.8268 49.9760 50.0553 50.4317 51.1822 51.3021 52.0707 52.3245 52.3308 52.6238 53.0845 53.1714 53.2702 53.5582 53.6205 53.7936 55.6188 55.7380 56.0058 56.5160 56.6409 57.1673 57.1773 57.5463 58.2701 58.3983 59.3184 60.3459 60.5090 61.1716 61.3199 61.4039 61.5644 61.9366 62.9181 63.2782 63.6818 64.0388 64.5331 64.5444 65.2414 65.7538 66.1905 66.2532 66.3194 66.5582 66.7101 67.0236 67.1084 70.0865 70.8777 71.7107 71.9495 72.1857 72.4260 74.1083 74.4567 75.4017 76.3143 76.5598 76.7986 76.8012 77.6482 78.0840 78.3881 78.5199 78.8966 79.2782 81.2862 86.4947 94.1931 94.4651 104.2467 104.9107 104.9383 105.4037 106.4325 107.2128 107.9393 108.6147 110.1899 111.8541 112.3240 112.8720 113.6931 114.6767 114.8786 115.5096 116.7968 117.1164 117.4091 118.2739 118.4409 118.5010 118.8034 119.0895 119.2293 119.2367 119.2894 119.3277 120.2217 122.2606 122.3954 122.4299 122.7993 123.6676 123.7791 123.7890 124.2302 125.5705 126.7603 126.8336 126.9594 127.5412 129.3266 129.4330 129.4730 130.3172 130.4837 130.7124 131.5106 131.9419 132.2651 132.5660 133.2508 133.4402 133.7449 133.8074 134.5674 134.6711 135.0087 135.4810 135.5177 135.5243 135.9826 136.4653 136.7630 138.5773 138.6760 140.0843 140.5704 141.1184 142.4232 142.6330 142.9725 143.6677 145.9315 146.2246 146.4472 147.8044 153.1755 154.0559 155.2742 155.7131 155.8962 158.1766 158.2195 163.1081 163.5054 167.4770 167.8674 168.7226 187.9002 190.0883 192.1371 212.7588 212.9583 213.6893 214.8909 215.8842 216.2617 216.7955 218.0763 218.8202 219.2302 220.2108 220.3025 227.7743 238.4707 239.0308 239.3374 239.8233 240.1490 921.4856 925.8765 926.6267 926.8538 927.6577 933.7417 936.6142 938.1591 938.3926 938.6203 939.3551 946.3735 949.9878 951.9260 959.3382 960.6545 961.2808 970.2882 987.8850 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 O V O V O V O V O V O V O O O O O O O O O O O O O H H -1.1136 1.7782 -0.8599 1.7373 -0.8730 1.7778 -0.8601 1.7373 -0.8730 1.7778 -0.8601 1.7782 -0.8599 -0.9400 -0.8934 -0.8928 -0.9397 -0.9400 -0.8515 -0.9261 -0.8934 -0.9397 -0.8928 -0.9261 -0.8515 0.2999 0.2999 1.8998 2.0003 1.9594 2.0150 1.9574 2.0003 1.9595 2.0150 1.9574 2.0003 1.9595 2.0003 1.9594 1.9429 1.9499 1.9500 1.9431 1.9429 1.8882 1.9463 1.9499 1.9431 1.9500 1.9463 1.8882 0.5832 0.5832 5.1876 6.1671 4.8786 6.1966 4.8943 6.1674 4.8787 6.1966 4.8943 6.1674 4.8787 6.1671 4.8786 4.9726 4.9186 4.9179 4.9721 4.9726 4.9296 4.9534 4.9186 4.9721 4.9179 4.9534 4.9296 0.1169 0.1169 0.0262 3.0544 0.0219 3.0511 0.0212 3.0545 0.0219 3.0511 0.0212 3.0545 0.0219 3.0544 0.0219 0.0245 0.0249 0.0249 0.0245 0.0245 0.0336 0.0264 0.0249 0.0245 0.0249 0.0264 0.0336 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 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 O V O V O V O V O V O V O O O O O O O O O O O O O H H -1.131874 2.040223 -0.967823 2.048796 -0.980398 2.040112 -0.967813 2.048796 -0.980398 2.040112 -0.967813 2.040223 -0.967823 -0.997163 -0.986018 -0.985693 -0.996988 -0.997163 -0.685946 -1.006469 -0.986018 -0.996988 -0.985693 -1.006469 -0.685946 0.011120 0.011120 -0.492622 1.629849 -0.880546 1.626293 -0.904723 1.629589 -0.880588 1.626293 -0.904723 1.629589 -0.880588 1.629849 -0.880546 -0.879062 -0.868535 -0.868513 -0.878938 -0.879062 -0.871811 -0.871862 -0.868535 -0.878938 -0.868513 -0.871862 -0.871811 0.265158 0.265158 -0.601049 1.678147 -0.848194 1.679196 -0.856195 1.676851 -0.846564 1.679196 -0.856195 1.676851 -0.846564 1.678147 -0.848194 -0.941071 -0.904067 -0.904532 -0.942035 -0.941071 -0.866480 -0.925621 -0.904067 -0.942035 -0.904532 -0.925621 -0.866480 0.301089 0.301089 -0.00000000 0.00000000 0.00000000 0.00000000 -3.07270267 5.86593898 -1.60887449 9.34890874 -4.71705516 -6.27620608 -153.1741 206.8269 -18.4147 -208.3903 -55.6174 -228.7696 Sep09-2020 00:16:35 Nodes: 1 Procs: 1 Sep09-2020 00:16:35 Nodes: 1 Procs: 1 0 Sep09-2020 00:16:35 Nodes: 1 Procs: 1 Sep09-2020 00:16:36 Nodes: 1 Procs: 1 Vanadium (TZP, 2p frozen) 0 Sep09-2020 00:16:36 Nodes: 1 Procs: 1 Sep09-2020 00:16:37 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Sep09-2020 00:16:38 Nodes: 1 Procs: 28 *** (NO TITLE) *** -6 -8.36358210 -8.37641616 -8.39188675 -8.40117426 -8.40437397 -8.40605532 -8.40676851 -8.40693602 -8.40699421 -8.40709691 -8.40712692 GEOMETRY CONVERGED