📄 dalbavie-chirp-new.book
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1.99974e+07 0.00466201 0.999989 </atom></molecule><molecule> 1 1<atom> gauss 256 27520 19960.9 -3.55031 978.03 -3040.1 0 0 2.03975e+07 0.306252 -0.95195 </atom></molecule><molecule> 1 1<atom> gauss 2048 12288 9355.44 -0.00106429 -1119.55 3073.15 0 0 2.13952e+07 -0.342295 0.939593 </atom></molecule><molecule> 1 1<atom> gauss 2048 12288 2156.77 -0.0216468 3084.35 -1052.53 0 0 2.12421e+07 0.946412 -0.322961 </atom></molecule><molecule> 1 1<atom> gauss 2048 16384 5152 0 427.711 -3089.43 0 0 1.94551e+07 0.137135 -0.990552 </atom></molecule><molecule> 1 1<atom> gauss 1024 13056 1470.48 0.522373 1147.35 3039.27 0 0 2.11072e+07 0.35318 0.935555 </atom></molecule><molecule> 1 1<atom> gauss 2048 9728 7008.68 0.041862 2314.99 -2106.67 0 0 1.95945e+07 0.739601 -0.673046 </atom></molecule><molecule> 1 1<atom> gauss 256 256 2779.3 -14.5871 3120.55 -1446.5 2.33988e-10 2.89159e-10 2.36604e+07 0.907267 -0.420555 </atom></molecule><molecule> 1 1<atom> gauss 2048 1024 5266.27 -0.00621878 2961.55 1456.69 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512 8192 2304 0 492.066 2769.41 0 0 1.58235e+07 0.174939 0.984579 </atom></molecule><molecule> 1 1<atom> gauss 1024 23296 2952.48 -0.106415 -2532.83 -1333.89 0 0 1.6389e+07 -0.884801 -0.465969 </atom></molecule><molecule> 1 1<atom> gauss 256 23616 15418.3 12.5239 2183.89 1718.36 0 0 1.54442e+07 0.785891 0.618365 </atom></molecule><molecule> 1 1<atom> gauss 512 26880 16401.5 -1.4623 -2728.03 -748.035 0 0 1.60034e+07 -0.964402 -0.264442 </atom></molecule><molecule> 1 1<atom> gauss 1024 22272 1999.04 0.30357 2176.38 -1861.37 0 0 1.64027e+07 0.759963 -0.649966 </atom></molecule><molecule> 1 1<atom> gauss 1024 15872 8320 0 292.704 2786.98 0 0 1.57059e+07 0.104451 0.99453 </atom></molecule><molecule> 1 1<atom> gauss 2048 17408 673.56 -0.00953432 -2709.25 -754.953 0 0 1.582e+07 -0.963299 -0.268431 </atom></molecule><molecule> 1 1<atom> gauss 2048 10752 1737.54 -0.00205034 -2298.32 1717.1 0 0 1.64614e+07 -0.80111 0.598517 </atom></molecule>
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